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OpenNuXL

Annotate NA to peptide crosslinks in MS/MS spectra.

  1. Input files (-in): centroided mzML, Thermo .raw, Bruker timsTOF .d (DDA-PASEF) or mzPeak
    • Thermo .raw is read natively (with Thermo's peak picking, so profile scans are centroided) if OpenMS was built with Thermo RAW support (WITH_THERMO_RAW); no mzML conversion is written next to it. Otherwise it is converted with ThermoRawFileParser (-ThermoRaw_executable, -NET_executable) into '<input>.raw.mzML' next to it, which is reused by later runs.
    • Bruker timsTOF .d directories (and .d.zip archives) need OpenMS built with OpenTIMS support (WITH_OPENTIMS), mzPeak needs mzPeak support (WITH_MZPEAK). Of DDA-PASEF data, the MS2 spectra (one per precursor) are centroided and carry the ion mobility (1/K0) of their precursor, which OpenNuXL converts to CCS and adds to the Percolator features ('IM'). Precursors the instrument assigned no charge to (charge 0) are not searched. The precursor purity (and the removal of co-isolated precursor peaks it enables) is not computed for .d input, as its MS1 frames are not collapsed over ion mobility; the 'precursor_purity' feature is then left out.
    • Every run writes '<input>.ambiguous_masses.csv' next to the input (all formats).
    • With the filter 'pcrecalibration', the recalibrated spectra are written as mzML next to the input ('<input without extension>_pc.mzML', e.g. 'run_pc.mzML' for 'run.d' or a natively read 'run.raw'; for a .raw converted with ThermoRawFileParser 'run.raw_pc.mzML', as before) and read from there.
  2. Data preprocessing:
    • (optional, precursor_correction) precursor mass correction
    • (optional, autotune) step determines precursor and fragment mass accuracy
      • performs a peptide database search for non-XL peptides
      • tries to improve results using Percolator
      • based on the best identifications (1% FDR)
        • (optional, IDFilter) spectra are marked to be generated by a confident non-XLed peptide
        • new fragment mass tolerance = 4.0 * 68th percentile of median absolute fragment error (identipy)
        • (optional, pcrecalibration) correct global fragment error by subtracting the median
  1. Configuring XL search
    • user configuration
    • presets for different protocols (UV, DEB, NM, etc.)
  2. Generation of Precursor/MS1 adduct to nucleotides to fragment adduct rules
  3. Fragment spectra preprocessing
    • Remove zero intensities
    • Remove isotopic peaks and determine charge (unknown charge set to z=1)
    • Remove interfering peaks from cofragmentation
    • Scale intensity by taking the root to reduce impact of high-intensity peaks
    • Normalize max intensity of a spectrum to 1.0
    • Keep 20 highest-intensity peaks in 100 m/z windows
    • Keep max. 400 peaks per spectrum to highly charged fragments in the low m/z region
    • Calculate and store TIC of filtered spectrum
  4. Experimental feature precalculation from spectra
    • Precalculate nucleotide tags
    • Calculate intensity ranks
    • Calculate amino acid tags
  5. Generate decoy sequences
    • Uses maximum number of attempts to shuffle in order to minimize sequence similarity
    • Sequence similarity target vs. decoy is calculated by overlap prefix with prefix and prefix to suffix (e.g, reversing is also discouraged if possible)
  6. Search: For all proteins:
    • Diggest current protein
    • For all peptides of current digest
      • Skip peptide if already searched
      • Determine potential immonium ions of peptide
      • Apply fixed modification(s) to peptide
      • Apply variable modifications(s) to peptide to get modification peptidoforms
      • For all modified peptide sequences (of current peptide)
        • For peptides with methionine try to also score plain precursors - CH4S (NM and DEB related methionie cross-link)
Note
Score recalibration: PercolatorAdapter rescores the PSMs (given decoys and about 1000 PSMs or more) and writes the model weights next to the output. By default ('-percolator_backend builtin') it uses the Percolator built into OpenMS, so the percolator executable doesn't have to be installed. '-percolator_backend executable' runs the percolator executable (-percolator_executable) instead; '-percolator_backend none' disables score recalibration.

The command line parameters of this tool are:

Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
<Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json> occurred 2 times
Using preset 'DNA-DEB' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-DEB Extended' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-FA' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-FA Extended' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-NM' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-NM Extended' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-UV' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-UV (BrU)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'DNA-UV Extended' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-DEB' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-DEB Extended' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-FA' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-FA Extended' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-NM' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-NM Extended' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-NM Extended (+H2O)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-SDA' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV (4SU)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV (6SG)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV (U)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV (UCGA)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV Extended (4SU)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV Extended (6SG)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV Extended (U)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets file: /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json
Found presets: 26
Using preset 'RNA-UV Extended (UCGA)' from /home/runner/work/OpenMS/OpenMS/share/OpenMS/NUXL/nuxl_presets.json

OpenNuXL -- Annotate RNA/DNA-peptide cross-links in MS/MS spectra.
Full documentation: http://www.openms.de/doxygen/nightly/html/TOPP_OpenNuXL.html
Version: 3.7.0-pre-nightly-2026-11-04 Nov  5 2026, 01:19:32, Revision: f358100
To cite OpenMS:
 + Pfeuffer, J., Bielow, C., Wein, S. et al.. OpenMS 3 enables reproducible analysis of large-scale mass spec
   trometry data. Nat Methods (2024). doi:10.1038/s41592-024-02197-7.

Usage:
  OpenNuXL <options>

Options (mandatory options marked with '*'):
  -in <file>*                                    Input spectra: centroided mzML, Thermo .raw (read natively 
                                                 if OpenMS was built with Thermo RAW support, otherwise conve
                                                 rted to mzML with ThermoRawFileParser, see -ThermoRaw_execut
                                                 able), Bruker timsTOF .d (DDA-PASEF), mzPeak. (valid formats
                                                 : 'mzML', 'raw', 'd', 'mzpeak')
  -database <file>*                              The protein database used for identification. (valid formats
                                                 : 'fasta', 'fa', 'faa')
  -out <file>*                                   Output file  (valid formats: 'idXML')
  -out_tsv <file>                                Tsv output file (valid formats: 'tsv')
  -out_xls <file>                                XL output file with group q-values calculated at the XL PSM-
                                                 level. Generated for the highest FDR threshold in report:xlF
                                                 DR. (valid formats: 'idXML')
  -output_folder <folder>                        Store intermediate files (and final result) also in this 
                                                 output folder. Convenient for workflow users because these 
                                                 files are otherwise only stored in tmp folders.

Precursor (Parent Ion) Options:
  -precursor:mass_tolerance <tolerance>          Precursor mass tolerance (+/- around precursor m/z). (defaul
                                                 t: '6.0')
  -precursor:mass_tolerance_unit <unit>          Unit of precursor mass tolerance. (default: 'ppm') (valid: 
                                                 'ppm', 'Da')
  -precursor:min_charge <num>                    Minimum precursor charge to be considered. (default: '2')
  -precursor:max_charge <num>                    Maximum precursor charge to be considered. (default: '5')
  -precursor:isotopes <num>                      Corrects for mono-isotopic peak misassignments. (E.g.: 1 = 
                                                 prec. may be misassigned to first isotopic peak). (default: 
                                                 '[0]')

Fragments (Product Ion) Options:
  -fragment:mass_tolerance <tolerance>           Fragment mass tolerance (+/- around fragment m/z). (default:
                                                  '20.0')
  -fragment:mass_tolerance_unit <unit>           Unit of fragment mass tolerance. (default: 'ppm') (valid: 
                                                 'ppm', 'Da')

Modifications Options:
  -modifications:fixed <mods>                    Fixed modifications, specified using UniMod (www.unimod.org)
                                                  terms, e.g. 'Carbamidomethyl (C)'. (valid: '15N-oxobutanoic
                                                  (N-term C)', '15N-oxobutanoic (Protein N-term S)', '15N-oxo
                                                 butanoic (Protein N-term T)', '2-dimethylsuccinyl (C)', '2-m
                                                 ethylbutyryl (K)', '2-monomethylsuccinyl (C)', '2-nitrobenzy
                                                 l (Y)', '2-succinyl (C)', '2HPG (R)', '2PCA-triazole-ethanet
                                                 hiol (N-term)', '3-deoxyglucosone (R)', '3-hydroxy-3-methylg
                                                 lutaryl (K)', '3-hydroxybenzyl-phosphate (K)', '3-hydroxyben
                                                 zyl-phosphate (S)', '3-hydroxybenzyl-phosphate (T)', '3-hydr
                                                 ...
                                                 :SMCC[321] (C)', 'ZGB (K)', 'ZGB (N-term)', 'ZQG (K)')
  -modifications:variable <mods>                 Variable modifications, specified using UniMod (www.unimod.o
                                                 rg) terms, e.g. 'Oxidation (M)' (default: '[Oxidation (M)]')
                                                  (valid: '15N-oxobutanoic (N-term C)', '15N-oxobutanoic (Pro
                                                 tein N-term S)', '15N-oxobutanoic (Protein N-term T)', '2-di
                                                 methylsuccinyl (C)', '2-methylbutyryl (K)', '2-monomethylsuc
                                                 cinyl (C)', '2-nitrobenzyl (Y)', '2-succinyl (C)', '2HPG 
                                                 (R)', '2PCA-triazole-ethanethiol (N-term)', '3-deoxyglucoson
                                                 e (R)', '3-hydroxy-3-methylglutaryl (K)', '3-hydroxybenzyl-p
                                                 hosphate (K)', '3-hydroxybenzyl-phosphate (S)', '3-hydroxybe
                                                 ...
                                                 :SMCC[321] (C)', 'ZGB (K)', 'ZGB (N-term)', 'ZQG (K)')
  -modifications:variable_max_per_peptide <num>  Maximum number of residues carrying a variable modification 
                                                 per candidate peptide. (default: '2')

Peptide Options:
  -peptide:missed_cleavages <num>                Number of missed cleavages. (default: '2')
  -peptide:enzyme <cleavage site>                The enzyme used for peptide digestion. (default: 'Trypsin/P'
                                                 ) (valid: 'Asp-N_ambic', 'Chymotrypsin', 'Chymotrypsin/P', 
                                                 'CNBr', 'Formic_acid', 'Lys-C', 'Lys-N', 'Lys-C/P', 'PepsinA
                                                 ', 'TrypChymo', 'Trypsin/P', 'V8-DE', 'V8-E', 'leukocyte 
                                                 elastase', 'proline endopeptidase', 'glutamyl endopeptidase'
                                                 , 'Alpha-lytic protease', '2-iodobenzoate', 'iodosobenzoate'
                                                 , 'staphylococcal protease/D', 'proline-endopeptidase/HKR', 
                                                 'Glu-C+P', 'PepsinA + P', 'cyanogen-bromide', 'Clostripain/P
                                                 ', 'elastase-trypsin-chymotrypsin', 'no cleavage', 'unspecif
                                                 ic cleavage', 'Trypsin', 'Arg-C', 'Arg-C/P', 'Asp-N', 'Asp-N
                                                 /B')
  -peptide:clip_nterm_methionine <bool>          Also search protein N-terminal peptides after removal of 
                                                 their initial methionine (the form with the methionine is 
                                                 still searched). Generated decoys keep the initial methionin
                                                 e, so that targets and decoys gain the same peptides. Set 
                                                 false for the previous search space. (default: 'true') (vali
                                                 d: 'true', 'false')

Reporting Options:
  -report:xl_fdr_groups <mode>                   Separate FDR group for short cross-links (at most 9 residues
                                                 , nucleic acid adduct of at least 2 nucleotides). They carry
                                                  little sequence-specific fragment evidence next to their 
                                                 adduct, so with one FDR over all cross-links far more of 
                                                 the short ones are false. In their own group, the FDR of 
                                                 the short and of the other cross-links is each held at repor
                                                 t:xlFDR (annotated as NuXL:fdr_group). 'auto': only if the 
                                                 short cross-links have at least 10 decoys at 10% FDR over 
                                                 ...
                                                 s. 'off': one FDR over all cross-links. (default: 'auto') 
                                                 (valid: 'auto', 'on', 'off')

  -percolator_executable <executable>            Percolator executable of the installation e.g. 'percolator.e
                                                 xe', for '-percolator_backend executable'. Empty: no score 
                                                 recalibration (as '-percolator_backend none').
  -percolator_backend <choice>                   Percolator that recalibrates the scores. 'builtin': the Perc
                                                 olator built into OpenMS (no installation needed). 'executab
                                                 le': the percolator executable of -percolator_executable; 
                                                 if it isn't found, the built-in Percolator is used. Both 
                                                 write the model weights. 'none': no score recalibration. 
                                                 (default: 'builtin') (valid: 'builtin', 'executable', 'none'
                                                 )

NuXL Options:
  -NuXL:presets <option>                         Set precursor and fragment adducts from presets (recommended
                                                 ). Custom presets can be defined in a 'nuxl_presets.json' 
                                                 file placed in the share/OpenMS/NUXL/ directory or specified
                                                  via NuXL:presets_file. (default: 'none') (valid: 'DNA-DEB',
                                                  'DNA-DEB Extended', 'DNA-FA', 'DNA-FA Extended', 'DNA-NM', 
                                                 'DNA-NM Extended', 'DNA-UV', 'DNA-UV (BrU)', 'DNA-UV Extende
                                                 d', 'RNA-DEB', 'RNA-DEB Extended', 'RNA-FA', 'RNA-FA Extende
                                                 d', 'RNA-NM', 'RNA-NM Extended', 'RNA-NM Extended (+H2O)', 
                                                 'RNA-SDA', 'RNA-UV (4SU)', 'RNA-UV (6SG)', 'RNA-UV (U)', 
                                                 'RNA-UV (UCGA)', 'RNA-UV Extended (4SU)', 'RNA-UV Extended 
                                                 (6SG)', 'RNA-UV Extended (U)', 'RNA-UV Extended (UCGA)', 
                                                 'none')
  -NuXL:length                                   Oligonucleotide maximum length. 0 = disable search for NA 
                                                 variants. (default: '2')
  -NuXL:sequence                                 Sequence to restrict the generation of oligonucleotide chain
                                                 s. (disabled for empty sequence).
  -NuXL:target_nucleotides                       Format:  target nucleotide=empirical formula of nucleoside 
                                                 monophosphate 
                                                  e.g. A=C10H14N5O7P, ..., U=C10H14N5O7P, X=C9H13N2O8PS  wher
                                                 e X represents e.g. tU 
                                                  or e.g. Y=C10H14N5O7PS where Y represents tG. (default: 
                                                 '[A=C10H14N5O7P C=C9H14N3O8P G=C10H14N5O8P U=C9H13N2O9P]')
  -NuXL:nt_groups                                Restrict which nucleotides can cooccur in a precursor adduct
                                                  to be able to search both RNA and DNA (format: 'AU CG').
  -NuXL:mapping                                  Format: source->target e.g. A->A, ..., U->U, U->X. (default:
                                                  '[A->A C->C G->G U->U]')
  -NuXL:can_cross_link <option>                  Format: 'U' if only U forms cross-links. 'CATG' if C, A, G, 
                                                 and T form cross-links. (default: 'U')
  -NuXL:fragment_adducts                         Format: [target nucleotide]:[formula] or [precursor adduct]-
                                                 >[fragment adduct formula];[name]: e.g., 'U:C9H10N2O5;U-H3PO
                                                 4' or 'U:U-H2O->C9H11N2O8P1;U-H2O'. (default: '[U:C9H10N2O5;
                                                 U-H3PO4 U:C4H4N2O2;U' U:C4H2N2O1;U'-H2O U:C3O;C3O U:C9H13N2O
                                                 9P1;U U:C9H11N2O8P1;U-H2O U:C9H12N2O6;U-HPO3]')
  -NuXL:modifications                            Format: empirical formula e.g U:  U:-H2O, ..., U:H2O+PO3. 
                                                 (default: '[U: U:-H2O U:-HPO3 U:-H3PO4]')
  -NuXL:scoring <method>                         Scoring algorithm used in prescoring (fast: total-loss only,
                                                  slow: all losses). (default: 'slow') (valid: 'fast', 'slow'
                                                 )
  -NuXL:rescoring <mode>                         Additional evidence per hit, after ProSE. 'features': annota
                                                 te the score margin over the best hit of another peptide 
                                                 sequence (NuXL:delta_score, and NuXL:delta_score_class withi
                                                 n cross-links or peptides; needs slow scoring) and a fragmen
                                                 t ion likelihood learned from the confident hits of the run 
                                                 (NuXL:ion_llr, NuXL:ion_llr_shifted, NuXL:ion_explained, 
                                                 NuXL:ion_topk_observed; needs decoys), and pass them to Perc
                                                 olator. The hits of each half of the spectra are scored by 
                                                 ...
                                                 d outputs (needs decoys). (default: 'none') (valid: 'none', 
                                                 'features', 'native')
  -NuXL:decoys <bool>                            Generate decoys internally (recommended). (default: 'true') 
                                                 (valid: 'true', 'false')

                                                 
Common TOPP options:
  -ini <file>                                    Use the given TOPP INI file
  -threads <n>                                   Sets the number of threads allowed to be used by the TOPP 
                                                 tool (0 = all available cores) (default: '1')
  -write_ini <file>                              Writes the default configuration file
  --help                                         Shows options
  --helphelp                                     Shows all options (including advanced)

INI file documentation of this tool:

Legend:
required parameter
advanced parameter

This section lists all parameters supported by the tool. Parameters are organized into hierarchical subsections that group related settings together. Subsections may contain further subsections or individual parameters.

Each parameter entry contains the following information:

  • Name The identifier used in configuration files and on the command line.
  • Default value The value used if the parameter is not explicitly specified.
  • Description A short explanation describing the purpose and behavior of the parameter.
  • Tags Additional metadata associated with the parameter.
  • Restrictions Allowed value ranges for numeric parameters or valid options for string parameters.

Parameter tags provide additional information about how a parameter is used. Some tags indicate whether a parameter is required or intended for advanced configuration, while others may be used internally by OpenMS or workflow tools.

Parameters highlighted as required must be specified for the tool to run successfully. Parameters marked as advanced allow fine-tuning of algorithm behavior and are typically not needed for standard workflows.

+OpenNuXLAnnotate RNA/DNA-peptide cross-links in MS/MS spectra.
version3.7.0-pre-nightly-2026-11-04 Version of the tool that generated this parameters file.
++1Instance '1' section for 'OpenNuXL'
in Input spectra: centroided mzML, Thermo .raw (read natively if OpenMS was built with Thermo RAW support, otherwise converted to mzML with ThermoRawFileParser, see -ThermoRaw_executable), Bruker timsTOF .d (DDA-PASEF), mzPeak.input file*.mzML, *.raw, *.d, *.mzpeak
NET_executable The .NET framework executable. Only required on linux and mac.input file
ThermoRaw_executableThermoRawFileParser.exe The ThermoRawFileParser executable.input file
database The protein database used for identification.input file*.fasta, *.fa, *.faa
out output file output file*.idXML
out_tsv tsv output fileoutput file*.tsv
out_xls XL output file with group q-values calculated at the XL PSM-level. Generated for the highest FDR threshold in report:xlFDR.output file*.idXML
output_folder Store intermediate files (and final result) also in this output folder. Convenient for workflow users because these files are otherwise only stored in tmp folders.
percolator_executablepercolator Percolator executable of the installation e.g. 'percolator.exe', for '-percolator_backend executable'. Empty: no score recalibration (as '-percolator_backend none').input file
percolator_backendbuiltin Percolator that recalibrates the scores. 'builtin': the Percolator built into OpenMS (no installation needed). 'executable': the percolator executable of -percolator_executable; if it isn't found, the built-in Percolator is used. Both write the model weights. 'none': no score recalibration.builtin, executable, none
filter[filter_pc_mass_error, autotune, idfilter] Filtering steps applied to results.filter_pc_mass_error, impute_decoy_medians, filter_bad_partial_loss_scores, autotune, idfilter, spectrumclusterfilter, pcrecalibration, optimize, RTpredict
window_size75.0 Peak window for spectra precprocessing.
peak_count20 Retained peaks in peak window.
log Name of log file (created only when specified)
debug0 Sets the debug level
threads1 Sets the number of threads allowed to be used by the TOPP tool (0 = all available cores)
no_progressfalse Disables progress logging to command linetrue, false
forcefalse Overrides tool-specific checkstrue, false
testfalse Enables the test mode (needed for internal use only)true, false
+++precursorPrecursor (Parent Ion) Options
mass_tolerance6.0 Precursor mass tolerance (+/- around precursor m/z).
mass_tolerance_unitppm Unit of precursor mass tolerance.ppm, Da
min_charge2 Minimum precursor charge to be considered.
max_charge5 Maximum precursor charge to be considered.
isotopes[0] Corrects for mono-isotopic peak misassignments. (E.g.: 1 = prec. may be misassigned to first isotopic peak).
+++fragmentFragments (Product Ion) Options
mass_tolerance20.0 Fragment mass tolerance (+/- around fragment m/z).
mass_tolerance_unitppm Unit of fragment mass tolerance.ppm, Da
+++modificationsModifications Options
fixed[] Fixed modifications, specified using UniMod (www.unimod.org) terms, e.g. 'Carbamidomethyl (C)'.15N-oxobutanoic (N-term C), 15N-oxobutanoic (Protein N-term S), 15N-oxobutanoic (Protein N-term T), 2-dimethylsuccinyl (C), 2-methylbutyryl (K), 2-monomethylsuccinyl (C), 2-nitrobenzyl (Y), 2-succinyl (C), 2HPG (R), 2PCA-triazole-ethanethiol (N-term), 3-deoxyglucosone (R), 3-hydroxy-3-methylglutaryl (K), 3-hydroxybenzyl-phosphate (K), 3-hydroxybenzyl-phosphate (S), 3-hydroxybenzyl-phosphate (T), 3-hydroxybenzyl-phosphate (Y), 3-methylglutaconyl (K), 3-methylglutaryl (K), 3-phosphoglyceryl (K), 3sulfo (N-term), 4-ONE (C), 4-ONE (H), 4-ONE (K), 4-ONE+Delta:H(-2)O(-1) (C), 4-ONE+Delta:H(-2)O(-1) (H), 4-ONE+Delta:H(-2)O(-1) (K), 4AcAllylGal (C), 6C-CysPAT (C), 6C-CysPAT (D), 6C-CysPAT (E), 6C-CysPAT (H), 6C-CysPAT (K), 6C-CysPAT (N-term), 6C-CysPAT (S), 6C-CysPAT (T), 6C-CysPAT (Y), a-type-ion (C-term), AccQTag (K), AccQTag (N-term), Acetoacetyl (K), Acetyl (C), Acetyl (H), Acetyl (K), Acetyl (N-term), Acetyl (Protein N-term), Acetyl (R), Acetyl (S), Acetyl (T), Acetyl (Y), Acetyl:13C(2) (K), Acetyl:13C(2) (Protein N-term), Acetyl:2H(3) (H), Acetyl:2H(3) (K), Acetyl:2H(3) (N-term), Acetyl:2H(3) (Protein N-term), Acetyl:2H(3) (S), Acetyl:2H(3) (T), Acetyl:2H(3) (Y), Acetyldeoxyhypusine (K), Acetylhypusine (K), ADP-Ribosyl (C), ADP-Ribosyl (D), ADP-Ribosyl (E), ADP-Ribosyl (K), ADP-Ribosyl (N), ADP-Ribosyl (R), ADP-Ribosyl (S), ADP-Ribosyl (T), AEBS (H), AEBS (K), AEBS (Protein N-term), AEBS (S), AEBS (Y), AEC-MAEC (S), AEC-MAEC (T), AEC-MAEC:2H(4) (S), AEC-MAEC:2H(4) (T), AFB1_Dialdehyde (K), AHA-Alkyne (M), AHA-Alkyne-KDDDD (M), AHA-SS (M), AHA-SS_CAM (M), Ahx2+Hsl (C-term), Ala->Arg (A), Ala->Asn (A), Ala->Asp (A), Ala->Cys (A), Ala->Gln (A), Ala->Glu (A), Ala->Gly (A), Ala->His (A), Ala->Lys (A), Ala->Met (A), Ala->Phe (A), Ala->Pro (A), Ala->Ser (A), Ala->Thr (A), Ala->Trp (A), Ala->Tyr (A), Ala->Val (A), Ala->Xle (A), Amidated (C-term), Amidated (Protein C-term), Amidine (K), Amidine (N-term), Amidino (C), Amino (Y), Ammonia-loss (N), Ammonia-loss (N-term C), Ammonia-loss (Protein N-term S), Ammonia-loss (Protein N-term T), Ammonium (C-term), Ammonium (D), Ammonium (E), AMTzHexNAc2 (N), AMTzHexNAc2 (S), AMTzHexNAc2 (T), Andro-H2O (C), Archaeol (C), Arg (N-term), Arg->Ala (R), Arg->Asn (R), Arg->Asp (R), Arg->Cys (R), Arg->Gln (R), Arg->Glu (R), Arg->GluSA (R), Arg->Gly (R), Arg->His (R), Arg->Lys (R), Arg->Met (R), Arg->Npo (R), Arg->Orn (R), Arg->Phe (R), Arg->Pro (R), Arg->Ser (R), Arg->Thr (R), Arg->Trp (R), Arg->Tyr (R), Arg->Val (R), Arg->Xle (R), Arg-loss (C-term R), Arg2PG (R), Argbiotinhydrazide (R), AROD (C), Asn->Ala (N), Asn->Arg (N), Asn->Asp (N), Asn->Cys (N), Asn->Gln (N), Asn->Glu (N), Asn->Gly (N), Asn->His (N), Asn->Lys (N), Asn->Met (N), Asn->Phe (N), Asn->Pro (N), Asn->Ser (N), Asn->Thr (N), Asn->Trp (N), Asn->Tyr (N), Asn->Val (N), Asn->Xle (N), Asp->Ala (D), Asp->Arg (D), Asp->Asn (D), Asp->Cys (D), Asp->Gln (D), Asp->Glu (D), Asp->Gly (D), Asp->His (D), Asp->Lys (D), Asp->Met (D), Asp->Phe (D), Asp->Pro (D), Asp->Ser (D), Asp->Thr (D), Asp->Trp (D), Asp->Tyr (D), Asp->Val (D), Asp->Xle (D), Aspartylurea (H), Atto495Maleimide (C), AzidoF (F), azole (C), azole (S), Bacillosamine (N), BADGE (C), BDMAPP (H), BDMAPP (K), BDMAPP (Protein N-term), BDMAPP (W), BDMAPP (Y), BEMAD_C (C), BEMAD_C:2H(6) (C), BEMAD_ST (S), BEMAD_ST (T), BEMAD_ST:2H(6) (S), BEMAD_ST:2H(6) (T), Benzoyl (K), Benzoyl (N-term), benzylguanidine (K), betaFNA (C), betaFNA (K), BHT (C), BHT (H), BHT (K), BHTOH (C), BHTOH (H), BHTOH (K), Biotin (K), Biotin (N-term), Biotin-HPDP (C), Biotin-PEG-PRA (M), Biotin-PEO-Amine (D), Biotin-PEO-Amine (E), Biotin-PEO-Amine (Protein C-term), Biotin-phenacyl (C), Biotin-phenacyl (H), Biotin-phenacyl (S), Biotin-tyramide (C), Biotin-tyramide (W), Biotin-tyramide (Y), Biotin:Aha-DADPS (M), Biotin:Aha-PC (M), Biotin:Cayman-10013 (C), Biotin:Cayman-10141 (C), Biotin:Invitrogen-M1602 (C), Biotin:Sigma-B1267 (C), Biotin:Thermo-21325 (K), Biotin:Thermo-21328 (K), Biotin:Thermo-21328 (N-term), Biotin:Thermo-21330 (K), Biotin:Thermo-21330 (N-term), Biotin:Thermo-21345 (Q), Biotin:Thermo-21360 (X), Biotin:Thermo-21901+2H2O (C), Biotin:Thermo-21901+H2O (C), Biotin:Thermo-21911 (C), Biotin:Thermo-33033 (X), Biotin:Thermo-33033-H (X), Biotin:Thermo-88310 (K), Biotin:Thermo-88317 (S), Biotin:Thermo-88317 (Y), biotinAcrolein298 (C), biotinAcrolein298 (H), biotinAcrolein298 (K), biotinAcrolein298 (Protein N-term), BisANS (K), bisANS-sulfonates (K), bisANS-sulfonates (S), bisANS-sulfonates (T), BITC (C), BITC (K), BITC (N-term), BMP-piperidinol (C), BMP-piperidinol (M), Brij35 (N-term), Brij58 (N-term), Bromo (F), Bromo (H), Bromo (W), Bromo (Y), Bromobimane (C), Butyryl (K), C8-QAT (K), C8-QAT (N-term), CAF (N-term), CAMthiopropanoyl (K), CAMthiopropanoyl (Protein N-term), Can-FP-biotin (S), Can-FP-biotin (T), Can-FP-biotin (Y), Carbamidomethyl (C), Carbamidomethyl (D), Carbamidomethyl (E), Carbamidomethyl (H), Carbamidomethyl (K), Carbamidomethyl (M), Carbamidomethyl (N-term), Carbamidomethyl (S), Carbamidomethyl (T), Carbamidomethyl (U), Carbamidomethyl (Y), CarbamidomethylDTT (C), Carbamyl (C), Carbamyl (K), Carbamyl (M), Carbamyl (N-term), Carbamyl (Protein N-term), Carbamyl (R), Carbamyl (S), Carbamyl (T), Carbamyl (Y), Carbofuran (S), Carbonyl (A), Carbonyl (E), Carbonyl (I), Carbonyl (L), Carbonyl (Q), Carbonyl (R), Carbonyl (S), Carbonyl (V), Carboxy (D), Carboxy (E), Carboxy (K), Carboxy (Protein N-term M), Carboxy (W), Carboxy->Thiocarboxy (Protein C-term G), Carboxyethyl (H), Carboxyethyl (K), Carboxyethylpyrrole (K), Carboxymethyl (C), Carboxymethyl (K), Carboxymethyl (N-term), Carboxymethyl (U), Carboxymethyl (W), Carboxymethyl:13C(2) (C), CarboxymethylDMAP (N-term), CarboxymethylDTT (C), Cation:Ag (C-term), Cation:Ag (D), Cation:Ag (E), Cation:Al[III] (C-term), Cation:Al[III] (D), Cation:Al[III] (E), Cation:Ca[II] (C-term), Cation:Ca[II] (D), Cation:Ca[II] (E), Cation:Cu[I] (C-term), Cation:Cu[I] (D), Cation:Cu[I] (E), Cation:Cu[I] (H), Cation:Fe[II] (C-term), Cation:Fe[II] (D), Cation:Fe[II] (E), Cation:Fe[III] (C-term), Cation:Fe[III] (D), Cation:Fe[III] (E), Cation:K (C-term), Cation:K (D), Cation:K (E), Cation:Li (C-term), Cation:Li (D), Cation:Li (E), Cation:Mg[II] (C-term), Cation:Mg[II] (D), Cation:Mg[II] (E), Cation:Na (C-term), Cation:Na (D), Cation:Na (E), Cation:Ni[II] (C-term), Cation:Ni[II] (D), Cation:Ni[II] (E), Cation:Zn[II] (C-term), Cation:Zn[II] (D), Cation:Zn[II] (E), Cation:Zn[II] (H), cGMP (C), cGMP (S), cGMP+RMP-loss (C), cGMP+RMP-loss (S), CHDH (D), Chlorination (W), Chlorination (Y), Cholesterol (Protein C-term), CIGG (K), CLIP_TRAQ_2 (K), CLIP_TRAQ_2 (N-term), CLIP_TRAQ_2 (Y), CLIP_TRAQ_3 (K), CLIP_TRAQ_3 (N-term), CLIP_TRAQ_3 (Y), CLIP_TRAQ_4 (K), CLIP_TRAQ_4 (N-term), CLIP_TRAQ_4 (Y), CoenzymeA (C), Cresylphosphate (H), Cresylphosphate (K), Cresylphosphate (R), Cresylphosphate (S), Cresylphosphate (T), Cresylphosphate (Y), CresylSaligeninPhosphate (H), CresylSaligeninPhosphate (K), CresylSaligeninPhosphate (R), CresylSaligeninPhosphate (S), CresylSaligeninPhosphate (T), CresylSaligeninPhosphate (Y), Crotonaldehyde (C), Crotonaldehyde (H), Crotonaldehyde (K), Crotonyl (K), CuSMo (C), CUSTOM0 (A), CUSTOM0 (C), CUSTOM0 (C-term), CUSTOM0 (D), CUSTOM0 (E), CUSTOM0 (F), CUSTOM0 (G), CUSTOM0 (H), CUSTOM0 (I), CUSTOM0 (K), CUSTOM0 (L), CUSTOM0 (M), CUSTOM0 (N), CUSTOM0 (N-term), CUSTOM0 (P), CUSTOM0 (Q), CUSTOM0 (R), CUSTOM0 (S), CUSTOM0 (T), CUSTOM0 (V), CUSTOM0 (W), CUSTOM0 (Y), CUSTOM1 (A), CUSTOM1 (C), CUSTOM1 (C-term), CUSTOM1 (D), CUSTOM1 (E), CUSTOM1 (F), CUSTOM1 (G), CUSTOM1 (H), CUSTOM1 (I), CUSTOM1 (K), CUSTOM1 (L), CUSTOM1 (M), CUSTOM1 (N), CUSTOM1 (N-term), CUSTOM1 (P), CUSTOM1 (Q), CUSTOM1 (R), CUSTOM1 (S), CUSTOM1 (T), CUSTOM1 (V), CUSTOM1 (W), CUSTOM1 (Y), CUSTOM2 (A), CUSTOM2 (C), CUSTOM2 (C-term), CUSTOM2 (D), CUSTOM2 (E), CUSTOM2 (F), CUSTOM2 (G), CUSTOM2 (H), CUSTOM2 (I), CUSTOM2 (K), CUSTOM2 (L), CUSTOM2 (M), CUSTOM2 (N), CUSTOM2 (N-term), CUSTOM2 (P), CUSTOM2 (Q), CUSTOM2 (R), CUSTOM2 (S), CUSTOM2 (T), CUSTOM2 (V), CUSTOM2 (W), CUSTOM2 (Y), CUSTOM3 (A), CUSTOM3 (C), CUSTOM3 (C-term), CUSTOM3 (D), CUSTOM3 (E), CUSTOM3 (F), CUSTOM3 (G), CUSTOM3 (H), CUSTOM3 (I), CUSTOM3 (K), CUSTOM3 (L), CUSTOM3 (M), CUSTOM3 (N), CUSTOM3 (N-term), CUSTOM3 (P), CUSTOM3 (Q), CUSTOM3 (R), CUSTOM3 (S), CUSTOM3 (T), CUSTOM3 (V), CUSTOM3 (W), CUSTOM3 (Y), CUSTOM4 (A), CUSTOM4 (C), CUSTOM4 (C-term), CUSTOM4 (D), CUSTOM4 (E), CUSTOM4 (F), CUSTOM4 (G), CUSTOM4 (H), CUSTOM4 (I), CUSTOM4 (K), CUSTOM4 (L), CUSTOM4 (M), CUSTOM4 (N), CUSTOM4 (N-term), CUSTOM4 (P), CUSTOM4 (Q), CUSTOM4 (R), CUSTOM4 (S), CUSTOM4 (T), CUSTOM4 (V), CUSTOM4 (W), CUSTOM4 (Y), CUSTOM5 (A), CUSTOM5 (C), CUSTOM5 (C-term), CUSTOM5 (D), CUSTOM5 (E), CUSTOM5 (F), CUSTOM5 (G), CUSTOM5 (H), CUSTOM5 (I), CUSTOM5 (K), CUSTOM5 (L), CUSTOM5 (M), CUSTOM5 (N), CUSTOM5 (N-term), CUSTOM5 (P), CUSTOM5 (Q), CUSTOM5 (R), CUSTOM5 (S), CUSTOM5 (T), CUSTOM5 (V), CUSTOM5 (W), CUSTOM5 (Y), CUSTOM6 (A), CUSTOM6 (C), CUSTOM6 (C-term), CUSTOM6 (D), CUSTOM6 (E), CUSTOM6 (F), CUSTOM6 (G), CUSTOM6 (H), CUSTOM6 (I), CUSTOM6 (K), CUSTOM6 (L), CUSTOM6 (M), CUSTOM6 (N), CUSTOM6 (N-term), CUSTOM6 (P), CUSTOM6 (Q), CUSTOM6 (R), CUSTOM6 (S), CUSTOM6 (T), CUSTOM6 (V), CUSTOM6 (W), CUSTOM6 (Y), CUSTOM7 (A), CUSTOM7 (C), CUSTOM7 (C-term), CUSTOM7 (D), CUSTOM7 (E), CUSTOM7 (F), CUSTOM7 (G), CUSTOM7 (H), CUSTOM7 (I), CUSTOM7 (K), CUSTOM7 (L), CUSTOM7 (M), CUSTOM7 (N), CUSTOM7 (N-term), CUSTOM7 (P), CUSTOM7 (Q), CUSTOM7 (R), CUSTOM7 (S), CUSTOM7 (T), CUSTOM7 (V), CUSTOM7 (W), CUSTOM7 (Y), CUSTOM8 (A), CUSTOM8 (C), CUSTOM8 (C-term), CUSTOM8 (D), CUSTOM8 (E), CUSTOM8 (F), CUSTOM8 (G), CUSTOM8 (H), CUSTOM8 (I), CUSTOM8 (K), CUSTOM8 (L), CUSTOM8 (M), CUSTOM8 (N), CUSTOM8 (N-term), CUSTOM8 (P), CUSTOM8 (Q), CUSTOM8 (R), CUSTOM8 (S), CUSTOM8 (T), CUSTOM8 (V), CUSTOM8 (W), CUSTOM8 (Y), CUSTOM9 (A), CUSTOM9 (C), CUSTOM9 (C-term), CUSTOM9 (D), CUSTOM9 (E), CUSTOM9 (F), CUSTOM9 (G), CUSTOM9 (H), CUSTOM9 (I), CUSTOM9 (K), CUSTOM9 (L), CUSTOM9 (M), CUSTOM9 (N), CUSTOM9 (N-term), CUSTOM9 (P), CUSTOM9 (Q), CUSTOM9 (R), CUSTOM9 (S), CUSTOM9 (T), CUSTOM9 (V), CUSTOM9 (W), CUSTOM9 (Y), Cy3-maleimide (C), Cy3b-maleimide (C), Cyano (C), CyDye-Cy3 (C), CyDye-Cy5 (C), Cys->Ala (C), Cys->Arg (C), Cys->Asn (C), Cys->Asp (C), Cys->CamSec (C), Cys->Dha (C), Cys->ethylaminoAla (C), Cys->Gln (C), Cys->Glu (C), Cys->Gly (C), Cys->His (C), Cys->Lys (C), Cys->Met (C), Cys->methylaminoAla (C), Cys->Oxoalanine (C), Cys->Phe (C), Cys->Pro (C), Cys->PyruvicAcid (Protein N-term C), Cys->SecNEM (C), Cys->SecNEM:2H(5) (C), Cys->Ser (C), Cys->Thr (C), Cys->Trp (C), Cys->Tyr (C), Cys->Val (C), Cys->Xle (C), Cysteinyl (C), cysTMT (C), cysTMT6plex (C), Cytopiloyne (C), Cytopiloyne (K), Cytopiloyne (N-term), Cytopiloyne (P), Cytopiloyne (R), Cytopiloyne (S), Cytopiloyne (Y), Cytopiloyne+water (C), Cytopiloyne+water (K), Cytopiloyne+water (N-term), Cytopiloyne+water (R), Cytopiloyne+water (S), Cytopiloyne+water (T), Cytopiloyne+water (Y), DABCYL-C2-maleimide (C), DABCYL-C2-maleimide (K), DAET (S), DAET (T), Dansyl (K), Dansyl (N-term), Dap-DSP (A), Dap-DSP (E), Dap-DSP (K), DBIA (C), DCP (C), Deamidated (N), Deamidated (Protein N-term F), Deamidated (Q), Deamidated (R), Deamidated:18O(1) (N), Deamidated:18O(1) (Q), Decanoyl (S), Decanoyl (T), Decarboxylation (D), Decarboxylation (E), DEDGFLYMVYASQETFG (K), Dehydrated (D), Dehydrated (N-term C), Dehydrated (Protein C-term N), Dehydrated (Protein C-term Q), Dehydrated (S), Dehydrated (T), Dehydrated (Y), Dehydro (C), Delta:H(-1)N(-1)18O(1) (N), Delta:H(-4)O(2) (W), Delta:H(-4)O(3) (W), Delta:H(10)C(8)O(1) (K), Delta:H(2)C(2) (H), Delta:H(2)C(2) (K), Delta:H(2)C(2) (N-term), Delta:H(2)C(2) (Protein N-term), Delta:H(2)C(3) (K), Delta:H(2)C(3)O(1) (K), Delta:H(2)C(3)O(1) (R), Delta:H(2)C(5) (K), Delta:H(4)C(2) (H), Delta:H(4)C(2) (K), Delta:H(4)C(2) (N-term), Delta:H(4)C(2)O(-1)S(1) (S), Delta:H(4)C(3) (H), Delta:H(4)C(3) (K), Delta:H(4)C(3) (Protein N-term), Delta:H(4)C(3)O(1) (C), Delta:H(4)C(3)O(1) (H), Delta:H(4)C(3)O(1) (K), Delta:H(4)C(3)O(1) (R), Delta:H(4)C(3)O(2) (K), Delta:H(4)C(5)O(1) (R), Delta:H(4)C(6) (K), Delta:H(5)C(2) (P), Delta:H(6)C(3)O(1) (C), Delta:H(6)C(3)O(1) (H), Delta:H(6)C(3)O(1) (K), Delta:H(6)C(3)O(1) (Protein N-term), Delta:H(6)C(6)O(1) (K), Delta:H(6)C(7)O(4) (R), Delta:H(8)C(6)O(1) (K), Delta:H(8)C(6)O(1) (Protein N-term), Delta:H(8)C(6)O(2) (K), Delta:Hg(1) (C), Delta:O(4) (W), Delta:S(-1)Se(1) (C), Delta:S(-1)Se(1) (M), Delta:Se(1) (C), Deoxy (D), Deoxy (S), Deoxy (T), Deoxyhypusine (K), Deoxyhypusine (Q), DeStreak (C), Dethiomethyl (M), dHex (N), dHex (S), dHex (T), dHex(1)Hex(1) (S), dHex(1)Hex(1) (T), dHex(1)Hex(1)HexA(1)HexNAc(3) (S), dHex(1)Hex(1)HexA(1)HexNAc(3) (T), dHex(1)Hex(1)HexNAc(1)Kdn(1) (S), dHex(1)Hex(1)HexNAc(1)Kdn(1) (T), dHex(1)Hex(1)HexNAc(1)NeuAc(1) (S), dHex(1)Hex(1)HexNAc(1)NeuAc(1) (T), dHex(1)Hex(1)HexNAc(1)NeuGc(1) (S), dHex(1)Hex(1)HexNAc(1)NeuGc(1) (T), dHex(1)Hex(1)HexNAc(2)Kdn(1) (S), dHex(1)Hex(1)HexNAc(2)Kdn(1) (T), dHex(1)Hex(1)HexNAc(2)NeuAc(1) (S), dHex(1)Hex(1)HexNAc(2)NeuAc(1) (T), dHex(1)Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (S), dHex(1)Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (T), dHex(1)Hex(1)HexNAc(2)NeuAc(2) (S), dHex(1)Hex(1)HexNAc(2)NeuAc(2) (T), dHex(1)Hex(1)HexNAc(2)Sulf(1) (S), dHex(1)Hex(1)HexNAc(2)Sulf(1) (T), dHex(1)Hex(1)HexNAc(3) (S), dHex(1)Hex(1)HexNAc(3) (T), dHex(1)Hex(1)HexNAc(3)NeuAc(1) (S), dHex(1)Hex(1)HexNAc(3)NeuAc(1) (T), dHex(1)Hex(1)HexNAc(3)NeuAc(1)Sulf(1) (S), dHex(1)Hex(1)HexNAc(3)NeuAc(1)Sulf(1) (T), dHex(1)Hex(1)HexNAc(3)NeuGc(1) (S), dHex(1)Hex(1)HexNAc(3)NeuGc(1) (T), dHex(1)Hex(1)HexNAc(3)Sulf(1) (S), dHex(1)Hex(1)HexNAc(3)Sulf(1) (T), dHex(1)Hex(1)HexNAc(4) (S), dHex(1)Hex(1)HexNAc(4) (T), dHex(1)Hex(2) (S), dHex(1)Hex(2) (T), dHex(1)Hex(2)HexA(1) (S), dHex(1)Hex(2)HexA(1) (T), dHex(1)Hex(2)HexA(1)HexNAc(1) (S), dHex(1)Hex(2)HexA(1)HexNAc(1) (T), dHex(1)Hex(2)HexA(1)HexNAc(1)Sulf(1) (S), dHex(1)Hex(2)HexA(1)HexNAc(1)Sulf(1) (T), dHex(1)Hex(2)HexA(1)HexNAc(2) (S), dHex(1)Hex(2)HexA(1)HexNAc(2) (T), dHex(1)Hex(2)HexNAc(1) (S), dHex(1)Hex(2)HexNAc(1) (T), dHex(1)Hex(2)HexNAc(1)NeuAc(2) (S), dHex(1)Hex(2)HexNAc(1)NeuAc(2) (T), dHex(1)Hex(2)HexNAc(1)Sulf(1) (S), dHex(1)Hex(2)HexNAc(1)Sulf(1) (T), dHex(1)Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (S), dHex(1)Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (T), dHex(1)Hex(2)HexNAc(2)NeuAc(2) (S), dHex(1)Hex(2)HexNAc(2)NeuAc(2) (T), dHex(1)Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (S), dHex(1)Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (T), dHex(1)Hex(2)HexNAc(2)NeuGc(1) (N), dHex(1)Hex(2)HexNAc(2)NeuGc(1) (S), dHex(1)Hex(2)HexNAc(2)NeuGc(1) (T), dHex(1)Hex(2)HexNAc(2)NeuGc(2) (S), dHex(1)Hex(2)HexNAc(2)NeuGc(2) (T), dHex(1)Hex(2)HexNAc(2)NeuGc(3) (S), dHex(1)Hex(2)HexNAc(2)NeuGc(3) (T), dHex(1)Hex(2)HexNAc(2)Pent(1) (N), dHex(1)Hex(2)HexNAc(2)Sulf(1) (S), dHex(1)Hex(2)HexNAc(2)Sulf(1) (T), 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dHex(2)Hex(4)HexNAc(2) (S), dHex(2)Hex(4)HexNAc(2) (T), dHex(2)Hex(4)HexNAc(3) (N), dHex(2)Hex(4)HexNAc(3)NeuAc(1)Sulf(1) (N), dHex(2)Hex(4)HexNAc(3)Pent(1) (N), dHex(2)Hex(4)HexNAc(4) (N), dHex(2)Hex(4)HexNAc(4) (S), dHex(2)Hex(4)HexNAc(4) (T), dHex(2)Hex(4)HexNAc(4)Pent(1) (N), dHex(2)Hex(4)HexNAc(4)Sulf(1) (N), dHex(2)Hex(4)HexNAc(5) (N), dHex(2)Hex(4)HexNAc(5) (S), dHex(2)Hex(4)HexNAc(5) (T), dHex(2)Hex(5)HexNAc(2)Me(1) (S), dHex(2)Hex(5)HexNAc(2)Me(1) (T), dHex(2)Hex(5)HexNAc(3)Pent(1) (N), dHex(2)Hex(5)HexNAc(4) (N), dHex(2)HexNAc(2)Kdn(1) (S), dHex(2)HexNAc(2)Kdn(1) (T), dHex(2)HexNAc(5) (S), dHex(2)HexNAc(5) (T), dHex(2)HexNAc(7) (S), dHex(2)HexNAc(7) (T), dHex(3)Hex(1)HexNAc(2)Kdn(1) (S), dHex(3)Hex(1)HexNAc(2)Kdn(1) (T), dHex(3)Hex(1)HexNAc(3)Kdn(1) (S), dHex(3)Hex(1)HexNAc(3)Kdn(1) (T), dHex(3)Hex(2)HexA(1)HexNAc(2)Sulf(1) (S), dHex(3)Hex(2)HexA(1)HexNAc(2)Sulf(1) (T), dHex(3)Hex(2)HexNAc(2) (S), dHex(3)Hex(2)HexNAc(2) (T), dHex(3)Hex(2)HexNAc(2)Kdn(1) (S), dHex(3)Hex(2)HexNAc(2)Kdn(1) (T), dHex(3)Hex(2)HexNAc(3) (S), dHex(3)Hex(2)HexNAc(3) (T), dHex(3)Hex(2)HexNAc(3)Kdn(1) (S), dHex(3)Hex(2)HexNAc(3)Kdn(1) (T), dHex(3)Hex(2)HexNAc(4) (S), dHex(3)Hex(2)HexNAc(4) (T), dHex(3)Hex(2)HexNAc(4)Sulf(2) (S), dHex(3)Hex(2)HexNAc(4)Sulf(2) (T), dHex(3)Hex(3)HexNAc(1) (S), dHex(3)Hex(3)HexNAc(1) (T), dHex(3)Hex(3)HexNAc(2) (S), dHex(3)Hex(3)HexNAc(2) (T), dHex(3)Hex(3)HexNAc(3) (S), dHex(3)Hex(3)HexNAc(3) (T), dHex(3)Hex(3)HexNAc(3)NeuAc(1) (S), dHex(3)Hex(3)HexNAc(3)NeuAc(1) (T), dHex(3)Hex(3)HexNAc(3)Pent(1) (N), dHex(3)Hex(3)HexNAc(4) (N), dHex(3)Hex(3)HexNAc(4)Pent(1) (N), dHex(3)Hex(4)HexNAc(4) (N), dHex(3)Hex(4)HexNAc(4) (S), dHex(3)Hex(4)HexNAc(4) (T), dHex(3)Hex(4)HexNAc(4)Sulf(1) (N), dHex(3)HexNAc(3)Kdn(1) (S), dHex(3)HexNAc(3)Kdn(1) (T), dHex(4)Hex(1)HexNAc(1)Kdn(2) (S), dHex(4)Hex(1)HexNAc(1)Kdn(2) (T), dHex(4)Hex(1)HexNAc(2)Kdn(1) (S), dHex(4)Hex(1)HexNAc(2)Kdn(1) (T), dHex(4)Hex(1)HexNAc(3)Kdn(1) (S), dHex(4)Hex(1)HexNAc(3)Kdn(1) (T), dHex(4)Hex(2)HexNAc(2)Kdn(1) (S), dHex(4)Hex(2)HexNAc(2)Kdn(1) (T), dHex(4)Hex(2)HexNAc(3) (S), dHex(4)Hex(2)HexNAc(3) (T), dHex(4)Hex(3)HexNAc(2)NeuAc(1) (S), dHex(4)Hex(3)HexNAc(2)NeuAc(1) (T), dHex(4)Hex(3)HexNAc(3) (S), dHex(4)Hex(3)HexNAc(3) (T), dHex(4)HexNAc(3)Kdn(1) (S), dHex(4)HexNAc(3)Kdn(1) (T), DHP (C), Di_L-Gln_Ngamma-propargyl-L-Gln_desthiobiotin (D), Di_L-Gln_Ngamma-propargyl-L-Gln_desthiobiotin (E), Di_L-Glu_Ngamma-propargyl-L-Gln_desthiobiotin (D), Di_L-Glu_Ngamma-propargyl-L-Gln_desthiobiotin (E), Diacylglycerol (C), DiART6plex (K), DiART6plex (N-term), DiART6plex (Protein N-term), DiART6plex (Y), DiART6plex115 (K), DiART6plex115 (N-term), DiART6plex115 (Protein N-term), DiART6plex115 (Y), DiART6plex116/119 (K), DiART6plex116/119 (N-term), DiART6plex116/119 (Protein N-term), DiART6plex116/119 (Y), DiART6plex117 (K), DiART6plex117 (N-term), DiART6plex117 (Protein N-term), DiART6plex117 (Y), DiART6plex118 (K), DiART6plex118 (N-term), DiART6plex118 (Protein N-term), DiART6plex118 (Y), Dibromo (Y), Dicarbamidomethyl (C), Dicarbamidomethyl (H), Dicarbamidomethyl (K), Dicarbamidomethyl (N-term), Dicarbamidomethyl (R), dichlorination (C), dichlorination (Y), Didehydro (C-term K), Didehydro (S), Didehydro (T), Didehydro (Y), Didehydroretinylidene (K), Diethyl (K), Diethyl (N-term), Diethylphosphate (C), Diethylphosphate (H), Diethylphosphate (K), Diethylphosphate (N-term), Diethylphosphate (S), Diethylphosphate (T), Diethylphosphate (Y), Diethylphosphothione (C), Diethylphosphothione (H), Diethylphosphothione (K), Diethylphosphothione (S), Diethylphosphothione (T), Diethylphosphothione (Y), Difuran (Y), Dihydroxyimidazolidine (R), Diiodo (H), Diiodo (Y), Diironsubcluster (C), Diisopropylphosphate (K), Diisopropylphosphate (N-term), Diisopropylphosphate (S), Diisopropylphosphate (T), Diisopropylphosphate (Y), DiLeu4plex (K), DiLeu4plex (N-term), DiLeu4plex (Y), DiLeu4plex115 (K), DiLeu4plex115 (N-term), DiLeu4plex115 (Y), DiLeu4plex117 (K), DiLeu4plex117 (N-term), DiLeu4plex117 (Y), DiLeu4plex118 (K), DiLeu4plex118 (N-term), DiLeu4plex118 (Y), Dimethyl (K), Dimethyl (N), Dimethyl (N-term), Dimethyl (Protein N-term P), Dimethyl (Protein N-term), Dimethyl (R), Dimethyl:2H(2)13C (K), Dimethyl:2H(2)13C (N), Dimethyl:2H(2)13C (N-term), Dimethyl:2H(2)13C (Protein N-term P), Dimethyl:2H(2)13C (R), Dimethyl:2H(4) (K), Dimethyl:2H(4) (N-term), Dimethyl:2H(4) (Protein N-term), Dimethyl:2H(4) (R), Dimethyl:2H(4)13C(2) (K), Dimethyl:2H(4)13C(2) (N-term), Dimethyl:2H(4)13C(2) (Protein N-term), Dimethyl:2H(4)13C(2) (R), Dimethyl:2H(6) (K), Dimethyl:2H(6) (N-term), Dimethyl:2H(6) (R), Dimethyl:2H(6)13C(2) (K), Dimethyl:2H(6)13C(2) (N-term), Dimethyl:2H(6)13C(2) (Protein N-term), Dimethyl:2H(6)13C(2) (R), DimethylamineGMBS (C), Dimethylaminoethyl (C), DimethylArsino (C), Dimethylphosphothione (C), Dimethylphosphothione (H), Dimethylphosphothione (K), Dimethylphosphothione (S), Dimethylphosphothione (T), Dimethylphosphothione (Y), DimethylpyrroleAdduct (K), Dioxidation (C), Dioxidation (E), Dioxidation (F), Dioxidation (I), Dioxidation (K), Dioxidation (L), Dioxidation (M), Dioxidation (P), Dioxidation (R), Dioxidation (U), Dioxidation (V), Dioxidation (W), Dioxidation (Y), Diphthamide (H), Dipyridyl (C), Dipyrrolylmethanemethyl (C), DMPO (C), DMPO (H), DMPO (Y), DNCB_hapten (C), DNCB_hapten (H), DNCB_hapten (K), DNCB_hapten (Y), dNIC (K), dNIC (N-term), DNPS (C), DNPS (W), DPIA (C), DTT (C), DVFQQQTGG (K), DyLight-maleimide (C), DYn-2 (C), EDEDTIDVFQQQTGG (K), EDT-iodoacetyl-PEO-biotin (S), EDT-iodoacetyl-PEO-biotin (T), EDT-maleimide-PEO-biotin (S), EDT-maleimide-PEO-biotin (T), EEEDVIEVYQEQTGG (K), EGCG1 (C), EGCG2 (C), EHD-diphenylpentanone (C), EHD-diphenylpentanone (M), EQAT (C), EQAT:2H(5) (C), EQIGG (K), ESP (K), ESP (N-term), ESP:2H(10) (K), ESP:2H(10) (N-term), Ethanedithiol (S), Ethanedithiol (T), Ethanolamine (C), Ethanolamine (C-term), Ethanolamine (D), Ethanolamine (E), Ethanolyl (C), Ethanolyl (K), Ethanolyl (R), Ethyl (C-term), Ethyl (D), Ethyl (E), Ethyl (K), Ethyl (N-term), Ethyl (Protein N-term), Ethyl+Deamidated (N), Ethyl+Deamidated (Q), ethylamino (S), ethylamino (T), Ethylphosphate (K), Ethylphosphate (N-term), Ethylphosphate (S), Ethylphosphate (T), Ethylphosphate (Y), ethylsulfonylethyl (C), ethylsulfonylethyl (H), ethylsulfonylethyl (K), Ethynyl (C), ExacTagAmine (K), ExacTagThiol (C), FAD (C), FAD (H), FAD (Y), Farnesyl (C), Fluorescein (C), Fluorescein-tyramine (Y), Fluoro (A), Fluoro (F), Fluoro (W), Fluoro (Y), FMN (S), FMN (T), FMNC (C), FMNH (C), FMNH (H), FNEM (C), Formyl (K), Formyl (N-term), Formyl (Protein N-term), Formyl (S), Formyl (T), Formylasparagine (H), FormylMet (Protein N-term), FP-Biotin (K), FP-Biotin (S), FP-Biotin (T), FP-Biotin (Y), FTC (C), FTC (K), FTC (P), FTC (R), FTC (S), Furan (Y), G-H1 (R), Galactosyl (K), Galactosyl (N-term), GEE (Q), GeranylGeranyl (C), GG (C), GG (K), GG (Protein N-term), GG (S), GG (T), GGQ (K), GIST-Quat (K), GIST-Quat (N-term), GIST-Quat:2H(3) (K), GIST-Quat:2H(3) (N-term), GIST-Quat:2H(6) (K), GIST-Quat:2H(6) (N-term), GIST-Quat:2H(9) (K), GIST-Quat:2H(9) (N-term), Gln->Ala (Q), Gln->Arg (Q), Gln->Asn (Q), Gln->Asp (Q), Gln->Cys (Q), Gln->Glu (Q), Gln->Gly (Q), Gln->His (Q), Gln->Lys (Q), Gln->Met (Q), Gln->Phe (Q), Gln->Pro (Q), Gln->pyro-Glu (N-term Q), Gln->Ser (Q), Gln->Thr (Q), Gln->Trp (Q), Gln->Tyr (Q), Gln->Val (Q), Gln->Xle (Q), Glu (E), Glu (Protein C-term), Glu+O(2) (H), Glu->Ala (E), Glu->Arg (E), Glu->Asn (E), Glu->Asp (E), Glu->Cys (E), Glu->Gln (E), Glu->Gly (E), Glu->His (E), Glu->Lys (E), Glu->Met (E), Glu->Phe (E), Glu->Pro (E), Glu->pyro-Glu (N-term E), Glu->pyro-Glu+Methyl (N-term E), Glu->pyro-Glu+Methyl:2H(2)13C(1) (N-term E), Glu->Ser (E), Glu->Thr (E), Glu->Trp (E), Glu->Tyr (E), Glu->Val (E), Glu->Xle (E), glucosone (R), Glucosylgalactosyl (K), Glucuronyl (Protein N-term), Glucuronyl (S), Glucuronyl (T), GluGlu (E), GluGlu (Protein C-term), GluGluGlu (E), GluGluGlu (Protein C-term), GluGluGluGlu (E), GluGluGluGlu (Protein C-term), Gluratylation (K), Glutathione (C), Gly (K), Gly (S), Gly (T), Gly+O(2) (H), Gly->Ala (G), Gly->Arg (G), Gly->Asn (G), Gly->Asp (G), Gly->Cys (G), Gly->Gln (G), Gly->Glu (G), Gly->His (G), Gly->Lys (G), Gly->Met (G), Gly->Phe (G), Gly->Pro (G), Gly->Ser (G), Gly->Thr (G), Gly->Trp (G), Gly->Tyr (G), Gly->Val (G), Gly->Xle (G), Gly-loss+Amide (C-term G), Glycerophospho (S), Glyceroyl (K), Glyceroyl (Protein N-term), GlycerylPE (E), glycidamide (K), glycidamide (N-term), Glycosyl (P), glyoxalAGE (R), Glyoxylyl (K), GNLLFLACYCIGG (K), GPIanchor (Protein C-term), Guanidinyl (K), Guanidinyl (N-term), Haloxon (C), Haloxon (H), Haloxon (K), Haloxon (S), Haloxon (T), Haloxon (Y), HCysteinyl (C), HCysThiolactone (K), Heme (C), Heme (H), Hep (K), Hep (N), Hep (Q), Hep (R), Hep (S), Hep (T), Hex (C), Hex (K), Hex (N), Hex (N-term), Hex (R), Hex (S), Hex (T), Hex (W), Hex (Y), Hex(1)HexA(1) (S), Hex(1)HexA(1) (T), Hex(1)HexA(1)HexNAc(1) (S), Hex(1)HexA(1)HexNAc(1) (T), Hex(1)HexA(1)HexNAc(2) (S), Hex(1)HexA(1)HexNAc(2) (T), Hex(1)HexNAc(1) (N), Hex(1)HexNAc(1) (S), Hex(1)HexNAc(1) (T), Hex(1)HexNAc(1)dHex(1) (N), Hex(1)HexNAc(1)dHex(1) (S), Hex(1)HexNAc(1)dHex(1) (T), Hex(1)HexNAc(1)dHex(1)Me(1) (S), Hex(1)HexNAc(1)dHex(1)Me(1) (T), Hex(1)HexNAc(1)dHex(1)Me(2) (S), Hex(1)HexNAc(1)dHex(1)Me(2) (T), Hex(1)HexNAc(1)Kdn(1)Sulf(1) (S), Hex(1)HexNAc(1)Kdn(1)Sulf(1) (T), Hex(1)HexNAc(1)NeuAc(1) (N), Hex(1)HexNAc(1)NeuAc(1) (S), Hex(1)HexNAc(1)NeuAc(1) (T), Hex(1)HexNAc(1)NeuAc(1)Ac(1) (S), Hex(1)HexNAc(1)NeuAc(1)Ac(1) (T), Hex(1)HexNAc(1)NeuAc(1)NeuGc(1) (S), Hex(1)HexNAc(1)NeuAc(1)NeuGc(1) (T), Hex(1)HexNAc(1)NeuAc(1)Sulf(1) (S), Hex(1)HexNAc(1)NeuAc(1)Sulf(1) (T), Hex(1)HexNAc(1)NeuAc(2) (N), Hex(1)HexNAc(1)NeuAc(2) (S), Hex(1)HexNAc(1)NeuAc(2) (T), Hex(1)HexNAc(1)NeuAc(2)Ac(1) (S), Hex(1)HexNAc(1)NeuAc(2)Ac(1) (T), Hex(1)HexNAc(1)NeuAc(2)Ac(2) (S), Hex(1)HexNAc(1)NeuAc(2)Ac(2) (T), Hex(1)HexNAc(1)NeuAc(3) (S), Hex(1)HexNAc(1)NeuAc(3) (T), Hex(1)HexNAc(1)NeuGc(1) (S), Hex(1)HexNAc(1)NeuGc(1) (T), Hex(1)HexNAc(1)NeuGc(2) (S), Hex(1)HexNAc(1)NeuGc(2) (T), Hex(1)HexNAc(1)NeuGc(3) (S), Hex(1)HexNAc(1)NeuGc(3) (T), Hex(1)HexNAc(1)NeuGc(4) (S), Hex(1)HexNAc(1)NeuGc(4) (T), Hex(1)HexNAc(1)NeuGc(5) (S), Hex(1)HexNAc(1)NeuGc(5) (T), Hex(1)HexNAc(1)Phos(1) (S), Hex(1)HexNAc(1)Phos(1) (T), Hex(1)HexNAc(1)Sulf(1) (S), Hex(1)HexNAc(1)Sulf(1) (T), Hex(1)HexNAc(2) (N), Hex(1)HexNAc(2) (S), Hex(1)HexNAc(2) (T), Hex(1)HexNAc(2)dHex(1) (N), Hex(1)HexNAc(2)dHex(1) (S), Hex(1)HexNAc(2)dHex(1) (T), Hex(1)HexNAc(2)dHex(1)Pent(1) (N), Hex(1)HexNAc(2)dHex(2) (N), Hex(1)HexNAc(2)dHex(2) (S), Hex(1)HexNAc(2)dHex(2) (T), Hex(1)HexNAc(2)dHex(2)Sulf(1) (S), Hex(1)HexNAc(2)dHex(2)Sulf(1) (T), Hex(1)HexNAc(2)NeuAc(1) (S), Hex(1)HexNAc(2)NeuAc(1) (T), Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (S), Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (T), Hex(1)HexNAc(2)NeuAc(2) (S), Hex(1)HexNAc(2)NeuAc(2) (T), Hex(1)HexNAc(2)NeuAc(2)Sulf(1) (S), Hex(1)HexNAc(2)NeuAc(2)Sulf(1) (T), Hex(1)HexNAc(2)NeuGc(1) (S), Hex(1)HexNAc(2)NeuGc(1) (T), Hex(1)HexNAc(2)Pent(1) (N), Hex(1)HexNAc(2)Sulf(1) (S), Hex(1)HexNAc(2)Sulf(1) (T), Hex(1)HexNAc(3) (S), Hex(1)HexNAc(3) (T), Hex(1)HexNAc(3)NeuAc(1) (S), Hex(1)HexNAc(3)NeuAc(1) (T), Hex(1)HexNAc(3)NeuAc(2) (S), Hex(1)HexNAc(3)NeuAc(2) (T), Hex(1)HexNAc(3)NeuGc(1) (S), Hex(1)HexNAc(3)NeuGc(1) (T), Hex(1)HexNAc(3)Sulf(1) (S), Hex(1)HexNAc(3)Sulf(1) (T), Hex(1)HexNAc(4)dHex(1)Sulf(1) (S), Hex(1)HexNAc(4)dHex(1)Sulf(1) (T), Hex(1)NeuAc(1) (S), Hex(1)NeuAc(1) (T), Hex(1)NeuAc(1)Pent(1) (S), Hex(1)NeuAc(1)Pent(1) (T), Hex(1)NeuGc(1) (S), Hex(1)NeuGc(1) (T), Hex(1)Pent(1) (S), Hex(1)Pent(1) (T), Hex(1)Pent(2) (S), Hex(1)Pent(2) (T), Hex(1)Pent(2)Me(1) (S), Hex(1)Pent(2)Me(1) (T), Hex(1)Pent(3) (S), Hex(1)Pent(3) (T), Hex(1)Pent(3)Me(1) (S), Hex(1)Pent(3)Me(1) (T), Hex(10)HexNAc(1) (N), Hex(10)Phos(3) (S), Hex(10)Phos(3) (T), Hex(2) (K), Hex(2) (R), Hex(2) (S), Hex(2) (T), Hex(2)HexA(1)HexNAc(1)Sulf(1) (S), Hex(2)HexA(1)HexNAc(1)Sulf(1) (T), Hex(2)HexA(1)NeuAc(1)Pent(1)Sulf(1) (S), Hex(2)HexA(1)NeuAc(1)Pent(1)Sulf(1) (T), Hex(2)HexA(1)Pent(1)Sulf(1) (S), Hex(2)HexA(1)Pent(1)Sulf(1) (T), Hex(2)HexNAc(1) (N), Hex(2)HexNAc(1) (S), Hex(2)HexNAc(1) (T), Hex(2)HexNAc(1)Me(1) (S), Hex(2)HexNAc(1)Me(1) (T), Hex(2)HexNAc(1)NeuGc(1) (S), Hex(2)HexNAc(1)NeuGc(1) (T), Hex(2)HexNAc(1)NeuGc(2) (S), Hex(2)HexNAc(1)NeuGc(2) (T), Hex(2)HexNAc(1)NeuGc(3) (S), Hex(2)HexNAc(1)NeuGc(3) (T), Hex(2)HexNAc(1)NeuGc(4) (S), Hex(2)HexNAc(1)NeuGc(4) (T), Hex(2)HexNAc(1)Pent(1)HexA(1) (S), Hex(2)HexNAc(1)Pent(1)HexA(1) (T), Hex(2)HexNAc(1)Sulf(1) (S), Hex(2)HexNAc(1)Sulf(1) (T), Hex(2)HexNAc(2) (N), Hex(2)HexNAc(2) (S), Hex(2)HexNAc(2) (T), Hex(2)HexNAc(2)dHex(1) (N), Hex(2)HexNAc(2)dHex(1) (S), Hex(2)HexNAc(2)dHex(1) (T), Hex(2)HexNAc(2)NeuAc(1) (N), Hex(2)HexNAc(2)NeuAc(1) (S), Hex(2)HexNAc(2)NeuAc(1) (T), Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (S), Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (T), Hex(2)HexNAc(2)NeuAc(2) (S), Hex(2)HexNAc(2)NeuAc(2) (T), Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (S), Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (T), Hex(2)HexNAc(2)NeuGc(1) (S), Hex(2)HexNAc(2)NeuGc(1) (T), Hex(2)HexNAc(2)Pent(1) (N), Hex(2)HexNAc(2)Sulf(1) (S), Hex(2)HexNAc(2)Sulf(1) (T), Hex(2)HexNAc(3) (N), Hex(2)HexNAc(3) (S), Hex(2)HexNAc(3) (T), Hex(2)HexNAc(3)NeuAc(1)NeuGc(1) (S), Hex(2)HexNAc(3)NeuAc(1)NeuGc(1) (T), Hex(2)HexNAc(3)NeuAc(1)Sulf(1) (S), Hex(2)HexNAc(3)NeuAc(1)Sulf(1) (T), Hex(2)HexNAc(3)NeuAc(2) (S), Hex(2)HexNAc(3)NeuAc(2) (T), Hex(2)HexNAc(3)NeuAc(3) (S), Hex(2)HexNAc(3)NeuAc(3) (T), Hex(2)HexNAc(3)NeuGc(1) (S), Hex(2)HexNAc(3)NeuGc(1) (T), Hex(2)HexNAc(3)NeuGc(2) (S), Hex(2)HexNAc(3)NeuGc(2) (T), Hex(2)HexNAc(3)NeuGc(3) (S), Hex(2)HexNAc(3)NeuGc(3) (T), Hex(2)HexNAc(3)Sulf(1) (S), Hex(2)HexNAc(3)Sulf(1) (T), Hex(2)HexNAc(4) (N), Hex(2)HexNAc(4) (S), Hex(2)HexNAc(4) (T), Hex(2)HexNAc(4)NeuAc(1) (S), Hex(2)HexNAc(4)NeuAc(1) (T), Hex(2)HexNAc(5) (S), Hex(2)HexNAc(5) (T), Hex(2)NeuAc(1) (S), Hex(2)NeuAc(1) (T), Hex(2)Pent(2) (S), Hex(2)Pent(2) (T), Hex(2)Pent(2)Me(1) (S), Hex(2)Pent(2)Me(1) (T), Hex(2)Sulf(1) (S), Hex(2)Sulf(1) (T), Hex(3) (N), Hex(3) (S), Hex(3) (T), Hex(3)HexNAc(1) (N), Hex(3)HexNAc(1) (S), Hex(3)HexNAc(1) (T), Hex(3)HexNAc(1)HexA(1) (S), Hex(3)HexNAc(1)HexA(1) (T), Hex(3)HexNAc(1)Me(1) (S), Hex(3)HexNAc(1)Me(1) (T), Hex(3)HexNAc(1)Pent(1) (N), Hex(3)HexNAc(2) (N), Hex(3)HexNAc(2) (S), Hex(3)HexNAc(2) (T), Hex(3)HexNAc(2)NeuAc(1) (N), Hex(3)HexNAc(2)NeuAc(2) (S), Hex(3)HexNAc(2)NeuAc(2) (T), Hex(3)HexNAc(2)Pent(1) (N), Hex(3)HexNAc(2)Phos(1) (N), Hex(3)HexNAc(3) (N), Hex(3)HexNAc(3) (S), Hex(3)HexNAc(3) (T), Hex(3)HexNAc(3)NeuAc(1) (S), Hex(3)HexNAc(3)NeuAc(1) (T), Hex(3)HexNAc(3)NeuAc(1)Sulf(1) (S), Hex(3)HexNAc(3)NeuAc(1)Sulf(1) (T), Hex(3)HexNAc(3)NeuAc(2) (S), Hex(3)HexNAc(3)NeuAc(2) (T), Hex(3)HexNAc(3)NeuAc(2)Sulf(1) (S), Hex(3)HexNAc(3)NeuAc(2)Sulf(1) (T), Hex(3)HexNAc(3)NeuAc(3) (S), Hex(3)HexNAc(3)NeuAc(3) (T), Hex(3)HexNAc(3)NeuGc(1) (S), Hex(3)HexNAc(3)NeuGc(1) (T), Hex(3)HexNAc(3)NeuGc(1)Sulf(1) (S), Hex(3)HexNAc(3)NeuGc(1)Sulf(1) (T), Hex(3)HexNAc(3)Pent(1) (N), Hex(3)HexNAc(3)Sulf(1) (N), Hex(3)HexNAc(3)Sulf(1) (S), Hex(3)HexNAc(3)Sulf(1) (T), Hex(3)HexNAc(4) (N), Hex(3)HexNAc(4) (S), Hex(3)HexNAc(4) (T), Hex(3)HexNAc(4)NeuAc(1) (N), Hex(3)HexNAc(4)NeuAc(2) (N), Hex(3)HexNAc(4)Pent(1) (N), Hex(3)HexNAc(4)Sulf(1) (N), Hex(3)HexNAc(5) (N), Hex(3)HexNAc(5) (S), Hex(3)HexNAc(5) (T), Hex(3)HexNAc(5)NeuAc(1) (N), Hex(3)HexNAc(5)Sulf(1) (N), Hex(3)HexNAc(6) (N), Hex(3)HexNAc(6) (S), Hex(3)HexNAc(6) (T), Hex(3)HexNAc(6)NeuAc(1) (N), Hex(3)HexNAc(6)Sulf(1) (N), Hex(3)HexNAc(6)Sulf(2) (N), Hex(3)HexNAc(7) (N), Hex(3)HexNAc(7)Sulf(1) (N), Hex(4) (S), Hex(4) (T), Hex(4)HexA(1) (S), Hex(4)HexA(1) (T), Hex(4)HexA(1)HexNAc(1) (S), Hex(4)HexA(1)HexNAc(1) (T), Hex(4)HexNAc(1) (N), Hex(4)HexNAc(1) (S), Hex(4)HexNAc(1) (T), Hex(4)HexNAc(2) (N), Hex(4)HexNAc(2)NeuAc(1) (N), Hex(4)HexNAc(2)NeuAc(1) (S), Hex(4)HexNAc(2)NeuAc(1) (T), Hex(4)HexNAc(2)Pent(1) (N), Hex(4)HexNAc(3) (N), Hex(4)HexNAc(3) (S), Hex(4)HexNAc(3) (T), Hex(4)HexNAc(3)NeuAc(1) (N), Hex(4)HexNAc(3)NeuAc(1) (S), Hex(4)HexNAc(3)NeuAc(1) (T), Hex(4)HexNAc(3)NeuAc(2) (N), Hex(4)HexNAc(3)NeuGc(1) (N), Hex(4)HexNAc(3)Pent(1) (N), Hex(4)HexNAc(4) (N), Hex(4)HexNAc(4) (S), Hex(4)HexNAc(4) (T), Hex(4)HexNAc(4)Me(2)Pent(1) (N), Hex(4)HexNAc(4)NeuAc(1) (N), Hex(4)HexNAc(4)NeuAc(1) (S), Hex(4)HexNAc(4)NeuAc(1) (T), Hex(4)HexNAc(4)NeuAc(1)Sulf(2) (S), Hex(4)HexNAc(4)NeuAc(1)Sulf(2) (T), Hex(4)HexNAc(4)NeuAc(1)Sulf(3) (S), Hex(4)HexNAc(4)NeuAc(1)Sulf(3) (T), Hex(4)HexNAc(4)NeuGc(1) (N), Hex(4)HexNAc(4)NeuGc(1) (S), Hex(4)HexNAc(4)NeuGc(1) (T), Hex(4)HexNAc(4)NeuGc(1)Sulf(2) (S), Hex(4)HexNAc(4)NeuGc(1)Sulf(2) (T), Hex(4)HexNAc(4)Pent(1) (N), Hex(4)HexNAc(4)Sulf(1) (N), Hex(4)HexNAc(4)Sulf(2) (S), Hex(4)HexNAc(4)Sulf(2) (T), Hex(4)HexNAc(5) (N), Hex(4)HexNAc(5)NeuAc(1) (N), Hex(4)HexNAc(5)Sulf(1) (N), Hex(4)HexNAc(6) (N), Hex(4)Phos(1) (S), Hex(4)Phos(1) (T), Hex(5) (S), Hex(5) (T), Hex(5)HexA(1) (S), Hex(5)HexA(1) (T), Hex(5)HexNAc(1) (N), Hex(5)HexNAc(1) (S), Hex(5)HexNAc(1) (T), Hex(5)HexNAc(2) (N), Hex(5)HexNAc(2)Phos(1) (N), Hex(5)HexNAc(3) (N), Hex(5)HexNAc(3)Pent(1) (N), Hex(5)HexNAc(4) (N), Hex(5)HexNAc(4) (S), Hex(5)HexNAc(4) (T), Hex(5)HexNAc(4)Me(2)Pent(1) (N), Hex(5)HexNAc(4)NeuAc(1) (N), Hex(5)HexNAc(4)NeuAc(1)Ac(1) (N), Hex(5)HexNAc(4)NeuAc(1)Ac(2) (N), Hex(5)HexNAc(4)NeuAc(1)Sulf(1) (N), Hex(5)HexNAc(4)NeuAc(2) (N), Hex(5)HexNAc(4)NeuGc(1) (N), Hex(5)HexNAc(4)Sulf(1) (N), Hex(5)HexNAc(5) (N), Hex(5)HexNAc(5) (S), Hex(5)HexNAc(5) (T), Hex(5)Phos(1) (S), Hex(5)Phos(1) (T), Hex(5)Phos(3) (S), Hex(5)Phos(3) (T), Hex(6)HexNAc(1) (N), Hex(6)HexNAc(2) (N), Hex(6)HexNAc(2)Phos(1) (N), Hex(6)HexNAc(3) (N), Hex(6)HexNAc(3)Phos(1) (N), Hex(6)HexNAc(4) (N), Hex(6)HexNAc(4) (S), Hex(6)HexNAc(4) (T), Hex(6)HexNAc(4)Me(3) (N), Hex(6)HexNAc(4)Me(3)Pent(1) (N), Hex(6)HexNAc(5) (N), Hex(6)HexNAc(5)NeuAc(3) (N), Hex(6)Phos(1) (S), Hex(6)Phos(1) (T), Hex(6)Phos(3) (S), Hex(6)Phos(3) (T), Hex(7)HexNAc(1) (N), Hex(7)HexNAc(2) (N), Hex(7)HexNAc(2)Phos(1) (N), Hex(7)HexNAc(2)Phos(2) (N), Hex(7)HexNAc(3) (N), Hex(7)HexNAc(3)Phos(1) (N), Hex(7)HexNAc(4) (N), Hex(7)HexNAc(6) (N), Hex(7)HexNAc(6) (S), Hex(7)HexNAc(6) (T), Hex(7)Phos(3) (S), Hex(7)Phos(3) (T), Hex(8)HexNAc(1) (N), Hex(8)HexNAc(2) (N), Hex(8)Phos(3) (S), Hex(8)Phos(3) (T), Hex(9) (N), Hex(9)HexNAc(1) (N), Hex(9)HexNAc(2) (N), Hex(9)Phos(3) (S), Hex(9)Phos(3) (T), HexA(2)HexNAc(3) (S), HexA(2)HexNAc(3) (T), Hexanoyl (K), HexN (K), HexN (N), HexN (S), HexN (T), HexN (W), HexNAc (C), HexNAc (N), HexNAc (S), HexNAc (T), HexNAc(1)dHex(1) (N), HexNAc(1)dHex(1) (S), HexNAc(1)dHex(1) (T), HexNAc(1)dHex(2) (N), HexNAc(1)Kdn(2) (S), HexNAc(1)Kdn(2) (T), HexNAc(1)NeuAc(1) (S), HexNAc(1)NeuAc(1) (T), HexNAc(1)NeuGc(1) (S), HexNAc(1)NeuGc(1) (T), HexNAc(1)NeuGc(2) (S), HexNAc(1)NeuGc(2) (T), HexNAc(2) (N), HexNAc(2) (S), HexNAc(2) (T), HexNAc(2)dHex(1) (N), HexNAc(2)dHex(2) (N), HexNAc(2)NeuAc(1) (S), HexNAc(2)NeuAc(1) (T), HexNAc(2)NeuAc(1)Sulf(1) (S), HexNAc(2)NeuAc(1)Sulf(1) (T), HexNAc(2)NeuGc(1) (S), HexNAc(2)NeuGc(1) (T), HexNAc(2)Sulf(1) (S), HexNAc(2)Sulf(1) (T), HexNAc(3) (S), HexNAc(3) (T), HexNAc(3)Sulf(1) (S), HexNAc(3)Sulf(1) (T), HexNAc(4) (S), HexNAc(4) (T), HexNAc(5) (S), HexNAc(5) (T), His+O(2) (H), His->Ala (H), His->Arg (H), His->Asn (H), His->Asp (H), His->Cys (H), His->Gln (H), His->Glu (H), His->Gly (H), His->Lys (H), His->Met (H), His->Phe (H), His->Pro (H), His->Ser (H), His->Thr (H), His->Trp (H), His->Tyr (H), His->Val (H), His->Xle (H), HMVK (C), HN2_mustard (C), HN2_mustard (H), HN2_mustard (K), HN3_mustard (C), HN3_mustard (H), HN3_mustard (K), HNE (A), HNE (C), HNE (H), HNE (K), HNE (L), HNE (R), HNE+Delta:H(2) (C), HNE+Delta:H(2) (H), HNE+Delta:H(2) (K), HNE-BAHAH (C), HNE-BAHAH (H), HNE-BAHAH (K), HNE-Delta:H(2)O (C), HNE-Delta:H(2)O (H), HNE-Delta:H(2)O (K), Homocysteic_acid (M), HPG (R), Hydroxamic_acid (D), Hydroxamic_acid (E), Hydroxycinnamyl (C), Hydroxyfarnesyl (C), Hydroxyheme (E), hydroxyisobutyryl (K), Hydroxymethyl (N), HydroxymethylOP (K), Hydroxytrimethyl (K), Hypusine (K), IASD (C), IBTP (C), ICAT-C (C), ICAT-C:13C(9) (C), ICAT-D (C), ICAT-D:2H(8) (C), ICAT-G (C), ICAT-G:2H(8) (C), ICAT-H (C), ICAT-H:13C(6) (C), ICDID (C), ICDID:2H(6) (C), ICPL (K), ICPL (N-term), ICPL (Protein N-term), ICPL:13C(6) (K), ICPL:13C(6) (N-term), ICPL:13C(6) (Protein N-term), ICPL:13C(6)2H(4) (K), ICPL:13C(6)2H(4) (N-term), ICPL:13C(6)2H(4) (Protein N-term), ICPL:2H(4) (K), ICPL:2H(4) (N-term), ICPL:2H(4) (Protein N-term), IDEnT (C), IED-Biotin (C), IGBP (C), IGBP:13C(2) (C), IMEHex(2)NeuAc(1) (K), IMID (K), IMID:2H(4) (K), Iminobiotin (K), Iminobiotin (N-term), Iodo (H), Iodo (Y), Iodoacetanilide (C), Iodoacetanilide (K), Iodoacetanilide (N-term), Iodoacetanilide:13C(6) (C), Iodoacetanilide:13C(6) (K), Iodoacetanilide:13C(6) (N-term), iodoTMT (C), iodoTMT (D), iodoTMT (E), iodoTMT (H), iodoTMT (K), iodoTMT6plex (C), iodoTMT6plex (D), iodoTMT6plex (E), iodoTMT6plex (H), iodoTMT6plex (K), IodoU-AMP (F), IodoU-AMP (W), IodoU-AMP (Y), ISD_z+2_ion (N-term), Isopropylphospho (S), Isopropylphospho (T), Isopropylphospho (Y), Isovaleryl (K), iST-NHS specific cysteine modification (C), Itaconatyl (C), Itaconyl (K), iTRAQ4plex (C), iTRAQ4plex (H), iTRAQ4plex (K), iTRAQ4plex (N-term), iTRAQ4plex (Protein N-term), iTRAQ4plex (S), iTRAQ4plex (T), iTRAQ4plex (Y), iTRAQ4plex114 (C), iTRAQ4plex114 (K), iTRAQ4plex114 (N-term), iTRAQ4plex114 (Y), iTRAQ4plex115 (C), iTRAQ4plex115 (K), iTRAQ4plex115 (N-term), iTRAQ4plex115 (Y), iTRAQ8plex (C), iTRAQ8plex (H), iTRAQ8plex (K), iTRAQ8plex (N-term), iTRAQ8plex (Protein N-term), iTRAQ8plex (S), iTRAQ8plex (T), iTRAQ8plex (Y), iTRAQ8plex:13C(6)15N(2) (C), iTRAQ8plex:13C(6)15N(2) (K), iTRAQ8plex:13C(6)15N(2) (N-term), iTRAQ8plex:13C(6)15N(2) (Y), L-Gln (D), L-Gln (E), Label:13C(1)2H(3) (M), Label:13C(1)2H(3)+Oxidation (M), Label:13C(2)15N(1) (G), Label:13C(2)15N(2) (K), Label:13C(3) (A), Label:13C(3)15N(1) (A), Label:13C(3)15N(1) (S), Label:13C(4) (M), Label:13C(4)+Oxidation (M), Label:13C(4)15N(1) (D), Label:13C(4)15N(2)+GG (K), Label:13C(5) (P), Label:13C(5)15N(1) (E), Label:13C(5)15N(1) (M), Label:13C(5)15N(1) (P), Label:13C(5)15N(1) (V), Label:13C(6) (I), Label:13C(6) (K), Label:13C(6) (L), Label:13C(6) (R), Label:13C(6)+Acetyl (K), Label:13C(6)+Dimethyl (K), Label:13C(6)+GG (K), Label:13C(6)15N(1) (I), Label:13C(6)15N(1) (L), Label:13C(6)15N(2) (K), Label:13C(6)15N(2)+Acetyl (K), Label:13C(6)15N(2)+Dimethyl (K), Label:13C(6)15N(2)+GG (K), Label:13C(6)15N(2)+TMT6plex (K), Label:13C(6)15N(2)+TMTpro (K), Label:13C(6)15N(4) (R), Label:13C(6)15N(4)+Dimethyl (R), Label:13C(6)15N(4)+Dimethyl:2H(6)13C(2) (R), Label:13C(6)15N(4)+Methyl (R), Label:13C(6)15N(4)+Methyl:2H(3)13C(1) (R), Label:13C(9) (F), Label:13C(9) (Y), Label:13C(9)+Phospho (Y), Label:13C(9)15N(1) (F), Label:15N(1) (A), Label:15N(1) (C), Label:15N(1) (D), Label:15N(1) (E), Label:15N(1) (F), Label:15N(1) (G), Label:15N(1) (I), Label:15N(1) (L), Label:15N(1) (M), Label:15N(1) (P), Label:15N(1) (S), Label:15N(1) (T), Label:15N(1) (V), Label:15N(1) (Y), Label:15N(2) (K), Label:15N(2) (N), Label:15N(2) (Q), Label:15N(2) (W), Label:15N(2)2H(9) (K), Label:15N(3) (H), Label:15N(4) (R), Label:18O(1) (C-term), Label:18O(1) (S), Label:18O(1) (T), Label:18O(1) (Y), Label:18O(2) (C-term), Label:2H(10) (L), Label:2H(3) (L), Label:2H(3) (M), Label:2H(3)+Oxidation (M), Label:2H(4) (A), Label:2H(4) (F), Label:2H(4) (K), Label:2H(4) (U), Label:2H(4) (Y), Label:2H(4)+Acetyl (K), Label:2H(4)+GG (K), Label:2H(4)13C(1) (R), Label:2H(6)15N(1) (P), Label:2H(7)15N(4) (R), Label:2H(9)13C(6)15N(2) (K), Lactylation (K), lapachenole (C), Leu->MetOx (L), LG-anhydrolactam (K), LG-anhydrolactam (N-term), LG-anhyropyrrole (K), LG-anhyropyrrole (N-term), LG-Hlactam-K (K), LG-Hlactam-K (Protein N-term), LG-Hlactam-R (R), LG-lactam-K (K), LG-lactam-K (Protein N-term), LG-lactam-R (R), LG-pyrrole (C), LG-pyrrole (K), LG-pyrrole (N-term), Lipoyl (K), LRGG (K), LRGG+dimethyl (K), LRGG+methyl (K), LTX+Lophotoxin (Y), Lys (N-term), Lys+O(2) (H), Lys->Ala (K), Lys->Allysine (K), Lys->AminoadipicAcid (K), Lys->Arg (K), Lys->Asn (K), Lys->Asp (K), Lys->CamCys (K), Lys->Cys (K), Lys->Gln (K), Lys->Glu (K), Lys->Gly (K), Lys->His (K), Lys->Met (K), Lys->MetOx (K), Lys->Phe (K), Lys->Pro (K), Lys->Ser (K), Lys->Thr (K), Lys->Trp (K), Lys->Tyr (K), Lys->Val (K), Lys->Xle (K), Lys-loss (K), Lys-loss (Protein C-term K), Lysbiotinhydrazide (K), maleimide (C), maleimide (K), Maleimide-PEO2-Biotin (C), maleimide3 (C), maleimide3 (K), maleimide5 (C), maleimide5 (K), Malonyl (C), Malonyl (K), Malonyl (S), MBS+peptide (C), MDCC (C), MeMePhosphorothioate (S), Menadione (C), Menadione (K), Menadione-HQ (C), Menadione-HQ (K), MercaptoEthanol (S), MercaptoEthanol (T), MesitylOxide (H), MesitylOxide (K), MesitylOxide (Protein N-term), Met+O(2) (H), Met->Aha (M), Met->Ala (M), Met->Arg (M), Met->Asn (M), Met->Asp (M), Met->AspSA (M), Met->Cys (M), Met->Gln (M), Met->Glu (M), Met->Gly (M), Met->His (M), Met->Hpg (M), Met->Hse (C-term M), Met->Hsl (C-term M), Met->Lys (M), Met->Phe (M), Met->Pro (M), Met->Ser (M), Met->Thr (M), Met->Trp (M), Met->Tyr (M), Met->Val (M), Met->Xle (M), Met-loss (Protein N-term M), Met-loss+Acetyl (Protein N-term M), Methamidophos-O (C), Methamidophos-O (H), Methamidophos-O (K), Methamidophos-O (S), Methamidophos-O (T), Methamidophos-O (Y), Methamidophos-S (C), Methamidophos-S (H), Methamidophos-S (K), Methamidophos-S (S), Methamidophos-S (T), Methamidophos-S (Y), Methyl (C), Methyl (C-term), Methyl (D), Methyl (E), Methyl (H), Methyl (I), Methyl (K), Methyl (L), Methyl (N), Methyl (N-term), Methyl (Protein N-term), Methyl (Q), Methyl (R), Methyl (S), Methyl (T), Methyl+Acetyl:2H(3) (K), Methyl+Deamidated (N), Methyl+Deamidated (Q), Methyl-PEO12-Maleimide (C), Methyl:2H(2) (K), Methyl:2H(2) (N-term), Methyl:2H(2)13C (C), Methyl:2H(2)13C (C-term), Methyl:2H(2)13C (D), Methyl:2H(2)13C (E), Methyl:2H(2)13C (H), Methyl:2H(2)13C (I), Methyl:2H(2)13C (K), Methyl:2H(2)13C (L), Methyl:2H(2)13C (N), Methyl:2H(2)13C (N-term), Methyl:2H(2)13C (Protein N-term), Methyl:2H(2)13C (Q), Methyl:2H(2)13C (R), Methyl:2H(2)13C (S), Methyl:2H(2)13C (T), Methyl:2H(3) (D), Methyl:2H(3) (E), Methyl:2H(3) (K), Methyl:2H(3) (R), Methyl:2H(3) (X), Methyl:2H(3)+Acetyl:2H(3) (K), Methyl:2H(3)13C(1) (K), Methyl:2H(3)13C(1) (N-term), Methyl:2H(3)13C(1) (R), Methylamine (S), Methylamine (T), Methylmalonylation (S), methylol (K), methylol (W), methylol (Y), Methylphosphonate (S), Methylphosphonate (T), Methylphosphonate (Y), Methylpyrroline (K), methylsulfonylethyl (C), methylsulfonylethyl (H), methylsulfonylethyl (K), Methylthio (C), Methylthio (D), Methylthio (K), Methylthio (N), Methylthio (N-term), MG-H1 (R), Microcin (Protein C-term), MicrocinC7 (Protein C-term), MM-diphenylpentanone (C), Molybdopterin (C), MolybdopterinGD (C), MolybdopterinGD (D), MolybdopterinGD (U), MolybdopterinGD+Delta:S(-1)Se(1) (C), Mono_Ngamma-propargyl-L-Gln_desthiobiotin (C), monomethylphosphothione (C), monomethylphosphothione (H), monomethylphosphothione (K), monomethylphosphothione (S), monomethylphosphothione (T), monomethylphosphothione (Y), mTRAQ (H), mTRAQ (K), mTRAQ (N-term), mTRAQ (S), mTRAQ (T), mTRAQ (Y), mTRAQ:13C(3)15N(1) (H), mTRAQ:13C(3)15N(1) (K), mTRAQ:13C(3)15N(1) (N-term), mTRAQ:13C(3)15N(1) (S), mTRAQ:13C(3)15N(1) (T), mTRAQ:13C(3)15N(1) (Y), mTRAQ:13C(6)15N(2) (H), mTRAQ:13C(6)15N(2) (K), mTRAQ:13C(6)15N(2) (N-term), mTRAQ:13C(6)15N(2) (S), mTRAQ:13C(6)15N(2) (T), mTRAQ:13C(6)15N(2) (Y), MTSL (C), MurNAc (A), Myristoleyl (Protein N-term G), Myristoyl (C), Myristoyl (K), Myristoyl (N-term G), Myristoyl+Delta:H(-4) (Protein N-term G), N-dimethylphosphate (S), N6pAMP (S), N6pAMP (T), N6pAMP (Y), NA-LNO2 (C), NA-LNO2 (H), NA-OA-NO2 (C), NA-OA-NO2 (H), NBF (C), NBF (K), NBF (R), NBS (W), NBS:13C(6) (W), NDA (K), NDA (N-term), NEIAA (C), NEIAA (Y), NEIAA:2H(5) (C), NEIAA:2H(5) (Y), NEM:2H(5) (C), NEM:2H(5)+H2O (C), NEMsulfur (C), NEMsulfurWater (C), Nethylmaleimide (C), Nethylmaleimide+water (C), Nethylmaleimide+water (K), NeuAc (N), NeuAc (S), NeuAc (T), NeuGc (N), NeuGc (S), NeuGc (T), NHS-fluorescein (K), NHS-LC-Biotin (K), NHS-LC-Biotin (N-term), NIC (K), NIC (N-term), NIPCAM (C), Nitrene (Y), Nitro (F), Nitro (W), Nitro (Y), Nitrosyl (C), Nitrosyl (Y), Nmethylmaleimide (C), Nmethylmaleimide (K), Nmethylmaleimide+water (C), NO_SMX_SEMD (C), NO_SMX_SIMD (C), NP40 (N-term), NQIGG (K), NQTGG (K), O-Dimethylphosphate (S), O-Dimethylphosphate (T), O-Dimethylphosphate (Y), O-Et-N-diMePhospho (S), O-Isopropylmethylphosphonate (S), O-Isopropylmethylphosphonate (T), O-Isopropylmethylphosphonate (Y), O-Methylphosphate (S), O-Methylphosphate (T), O-Methylphosphate (Y), O-pinacolylmethylphosphonate (H), O-pinacolylmethylphosphonate (K), O-pinacolylmethylphosphonate (S), O-pinacolylmethylphosphonate (T), O-pinacolylmethylphosphonate (Y), Octanoyl (C), Octanoyl (S), Octanoyl (T), OxArgBiotin (R), OxArgBiotinRed (R), Oxidation (C), Oxidation (C-term G), Oxidation (D), Oxidation (E), Oxidation (F), Oxidation (H), Oxidation (I), Oxidation (K), Oxidation (L), Oxidation (M), Oxidation (N), Oxidation (P), Oxidation (Q), Oxidation (R), Oxidation (S), Oxidation (T), Oxidation (U), Oxidation (V), Oxidation (W), Oxidation (Y), Oxidation+NEM (C), OxLysBiotin (K), OxLysBiotinRed (K), OxProBiotin (P), OxProBiotinRed (P), Palmitoleyl (C), Palmitoleyl (S), Palmitoleyl (T), Palmitoyl (C), Palmitoyl (K), Palmitoyl (Protein N-term), Palmitoyl (S), Palmitoyl (T), PEITC (C), PEITC (K), PEITC (N-term), Pent(1)HexNAc(1) (S), Pent(1)HexNAc(1) (T), Pent(2) (S), Pent(2) (T), Pentanoyl (K), Pentose (S), Pentose (T), Pentylamine (Q), PEO-Iodoacetyl-LC-Biotin (C), PET (S), PET (T), Phe->Ala (F), Phe->Arg (F), Phe->Asn (F), Phe->Asp (F), Phe->CamCys (F), Phe->Cys (F), Phe->Gln (F), Phe->Glu (F), Phe->Gly (F), Phe->His (F), Phe->Lys (F), Phe->Met (F), Phe->Pro (F), Phe->Ser (F), Phe->Thr (F), Phe->Trp (F), Phe->Tyr (F), Phe->Val (F), Phe->Xle (F), phenyl-phosphate (K), phenyl-phosphate (S), phenyl-phosphate (T), phenyl-phosphate (Y), Phenylisocyanate (N-term), Phenylisocyanate:2H(5) (N-term), phenylsulfonylethyl (C), Phospho (C), Phospho (D), Phospho (E), Phospho (H), Phospho (K), Phospho (R), Phospho (S), Phospho (T), Phospho (Y), Phosphoadenosine (H), Phosphoadenosine (K), Phosphoadenosine (S), Phosphoadenosine (T), Phosphoadenosine (Y), PhosphoCytidine (S), PhosphoCytidine (T), PhosphoCytidine (Y), PhosphoDecoy (A), PhosphoDecoy (G), PhosphoDecoy (L), Phosphogluconoylation (K), Phosphogluconoylation (N-term), Phosphoguanosine (H), Phosphoguanosine (K), PhosphoHex (S), PhosphoHex (T), PhosphoHex(2) (N), PhosphoHex(2) (S), PhosphoHex(2) (T), PhosphoHexNAc (S), PhosphoHexNAc (T), Phosphopantetheine (S), Phosphopropargyl (S), Phosphopropargyl (T), Phosphopropargyl (Y), phosphoRibosyl (D), phosphoRibosyl (E), phosphoRibosyl (R), PhosphoribosyldephosphoCoA (S), PhosphoUridine (H), PhosphoUridine (Y), Phycocyanobilin (C), Phycoerythrobilin (C), Phytochromobilin (C), Piperidine (K), Piperidine (N-term), pRBS-ID_4-thiouridine (F), pRBS-ID_6-thioguanosine (W), Pro+O(2) (H), Pro->Ala (P), Pro->Arg (P), Pro->Asn (P), Pro->Asp (P), Pro->Cys (P), Pro->Gln (P), Pro->Glu (P), Pro->Gly (P), Pro->HAVA (P), Pro->His (P), Pro->Lys (P), Pro->Met (P), Pro->Phe (P), Pro->pyro-Glu (P), Pro->Pyrrolidinone (P), Pro->Pyrrolidone (P), Pro->Ser (P), Pro->Thr (P), Pro->Trp (P), Pro->Tyr (P), Pro->Val (P), Pro->Xle (P), probiotinhydrazide (P), Propargylamine (C-term), Propargylamine (D), Propargylamine (E), Propionamide (C), Propionamide (K), Propionamide (N-term), Propionamide:2H(3) (C), Propionyl (K), Propionyl (N-term), Propionyl (Protein N-term), Propionyl (S), Propionyl (T), Propionyl:13C(3) (K), Propionyl:13C(3) (N-term), Propiophenone (C), Propiophenone (H), Propiophenone (K), Propiophenone (R), Propiophenone (S), Propiophenone (T), Propiophenone (W), Propyl (C-term), Propyl (D), Propyl (E), Propyl (K), Propyl (N-term), Propyl (Protein C-term), Propyl:2H(6) (K), Propyl:2H(6) (N-term), PropylNAGthiazoline (C), PS_Hapten (C), PS_Hapten (H), PS_Hapten (K), pupylation (K), Puromycin (C-term), PyMIC (N-term), PyridoxalPhosphate (K), PyridoxalPhosphateH2 (K), Pyridylacetyl (K), Pyridylacetyl (N-term), Pyridylethyl (C), Pyro-carbamidomethyl (N-term C), Pyro-QQTGG (K), pyrophospho (S), pyrophospho (T), PyruvicAcidIminyl (K), PyruvicAcidIminyl (Protein N-term C), PyruvicAcidIminyl (Protein N-term V), Pyruvoyl (K), QAT (C), QAT:2H(3) (C), QEQTGG (K), QQQTGG (K), QQTGG (K), QTGG (K), Quinone (W), Quinone (Y), RBS-ID_Uridine (Y), Retinylidene (K), RNPXL (N-term K), RNPXL (N-term R), RNPXlink1 (C), s-GlcNAc (S), s-GlcNAc (T), Saligenin (H), Saligenin (K), Ser->Ala (S), Ser->Arg (S), Ser->Asn (S), Ser->Asp (S), Ser->Cys (S), Ser->Gln (S), Ser->Glu (S), Ser->Gly (S), Ser->His (S), Ser->LacticAcid (Protein N-term S), Ser->Lys (S), Ser->Met (S), Ser->Phe (S), Ser->Pro (S), Ser->Thr (S), Ser->Trp (S), Ser->Tyr (S), Ser->Val (S), Ser->Xle (S), Ser/Thr-KDO (S), Ser/Thr-KDO (T), serotonylation (Q), shTMT (K), shTMT (N-term), shTMT (Protein N-term), shTMTpro (K), shTMTpro (N-term), shTMTpro (Protein N-term), SMA (K), SMA (N-term), spermidine (Q), spermine (Q), SPITC (K), SPITC (N-term), SPITC:13C(6) (K), SPITC:13C(6) (N-term), Succinyl (K), Succinyl (N-term), Succinyl (Protein N-term), Succinyl:13C(4) (K), Succinyl:13C(4) (N-term), Succinyl:2H(4) (K), Succinyl:2H(4) (N-term), SulfanilicAcid (C-term), SulfanilicAcid (D), SulfanilicAcid (E), SulfanilicAcid:13C(6) (C-term), SulfanilicAcid:13C(6) (D), SulfanilicAcid:13C(6) (E), Sulfide (C), Sulfide (D), Sulfide (W), Sulfo (C), Sulfo (S), Sulfo (T), Sulfo (Y), sulfo+amino (Y), Sulfo-NHS-LC-LC-Biotin (K), Sulfo-NHS-LC-LC-Biotin (N-term), SulfoGMBS (C), SulfurDioxide (C), SUMO2135 (K), SUMO3549 (K), TAMRA-FP (S), TAMRA-FP (Y), Thiadiazole (C), Thiazolidine (C), Thiazolidine (F), Thiazolidine (H), Thiazolidine (K), Thiazolidine (Protein N-term), Thiazolidine (R), Thiazolidine (W), Thiazolidine (Y), thioacylPA (K), Thiophos-S-S-biotin (S), Thiophos-S-S-biotin (T), Thiophos-S-S-biotin (Y), Thiophospho (S), Thiophospho (T), Thiophospho (Y), Thr->Ala (T), Thr->Arg (T), Thr->Asn (T), Thr->Asp (T), Thr->Cys (T), Thr->Gln (T), Thr->Glu (T), Thr->Gly (T), Thr->His (T), Thr->Lys (T), Thr->Met (T), Thr->Phe (T), Thr->Pro (T), Thr->Ser (T), Thr->Trp (T), Thr->Tyr (T), Thr->Val (T), Thr->Xle (T), Thrbiotinhydrazide (T), Thyroxine (Y), Tiglyl (K), TMAB (K), TMAB (N-term), TMAB:2H(9) (K), TMAB:2H(9) (N-term), TMPP-Ac (K), TMPP-Ac (N-term), TMPP-Ac (Y), TMPP-Ac:13C(9) (K), TMPP-Ac:13C(9) (N-term), TMPP-Ac:13C(9) (Y), TMT (H), TMT (K), TMT (N-term), TMT (Protein N-term), TMT (S), TMT (T), TMT2plex (H), TMT2plex (K), TMT2plex (N-term), TMT2plex (Protein N-term), TMT2plex (S), TMT2plex (T), TMT6plex (H), TMT6plex (K), TMT6plex (N-term), TMT6plex (Protein N-term), TMT6plex (S), TMT6plex (T), TMTpro (H), TMTpro (K), TMTpro (N-term), TMTpro (Protein N-term), TMTpro (S), TMTpro (T), TMTpro_zero (H), TMTpro_zero (K), TMTpro_zero (N-term), TMTpro_zero (Protein N-term), TMTpro_zero (S), TMTpro_zero (T), TNBS (K), TNBS (N-term), trifluoro (L), Triiodo (Y), Triiodothyronine (Y), Trimethyl (K), Trimethyl (Protein N-term A), Trimethyl (R), Trimethyl:13C(3)2H(9) (K), Trimethyl:13C(3)2H(9) (R), Trimethyl:2H(9) (K), Trimethyl:2H(9) (R), Trioxidation (C), Trioxidation (F), Trioxidation (W), Trioxidation (Y), Tripalmitate (Protein N-term C), Tris (N), Triton (C-term), Triton (N-term), Trp->Ala (W), Trp->Arg (W), Trp->Asn (W), Trp->Asp (W), Trp->Cys (W), Trp->Gln (W), Trp->Glu (W), Trp->Gly (W), Trp->His (W), Trp->Hydroxykynurenin (W), Trp->Kynurenin (W), Trp->Lys (W), Trp->Met (W), Trp->Oxolactone (W), Trp->Phe (W), Trp->Pro (W), Trp->Ser (W), Trp->Thr (W), Trp->Tyr (W), Trp->Val (W), Trp->Xle (W), Tween20 (N-term), Tween80 (C-term), Tyr->Ala (Y), Tyr->Arg (Y), Tyr->Asn (Y), Tyr->Asp (Y), Tyr->Cys (Y), Tyr->Dha (Y), Tyr->Gln (Y), Tyr->Glu (Y), Tyr->Gly (Y), Tyr->His (Y), Tyr->Lys (Y), Tyr->Met (Y), Tyr->Phe (Y), Tyr->Pro (Y), Tyr->Ser (Y), Tyr->Thr (Y), Tyr->Trp (Y), Tyr->Val (Y), Tyr->Xle (Y), Ub-Br2 (C), Ub-fluorescein (C), Ub-VME (C), UgiJoullie (D), UgiJoullie (E), UgiJoullieProGly (D), UgiJoullieProGly (E), UgiJoullieProGlyProGly (D), UgiJoullieProGlyProGly (E), Unknown:162 (C-term), Unknown:162 (D), Unknown:162 (E), Unknown:162 (N-term), Unknown:177 (C-term), Unknown:177 (D), Unknown:177 (E), Unknown:177 (N-term), Unknown:210 (C-term), Unknown:210 (D), Unknown:210 (E), Unknown:210 (N-term), Unknown:216 (C-term), Unknown:216 (D), Unknown:216 (E), Unknown:216 (N-term), Unknown:234 (C-term), Unknown:234 (D), Unknown:234 (E), Unknown:234 (N-term), Unknown:248 (C-term), Unknown:248 (D), Unknown:248 (E), Unknown:248 (N-term), Unknown:250 (C-term), Unknown:250 (D), Unknown:250 (E), Unknown:250 (N-term), Unknown:302 (C-term), Unknown:302 (D), Unknown:302 (E), Unknown:302 (N-term), Unknown:306 (C-term), Unknown:306 (D), Unknown:306 (E), Unknown:306 (N-term), Unknown:420 (C-term), Unknown:420 (N-term), Val->Ala (V), Val->Arg (V), Val->Asn (V), Val->Asp (V), Val->Cys (V), Val->Gln (V), Val->Glu (V), Val->Gly (V), Val->His (V), Val->Lys (V), Val->Met (V), Val->Phe (V), Val->Pro (V), Val->Ser (V), Val->Thr (V), Val->Trp (V), Val->Tyr (V), Val->Xle (V), ValGly (K), VFQQQTGG (K), VIEVYQEQTGG (K), Withaferin (C), Xle->Ala (I), Xle->Ala (L), Xle->Arg (I), Xle->Arg (L), Xle->Asn (I), Xle->Asn (L), Xle->Asp (I), Xle->Asp (L), Xle->Cys (I), Xle->Cys (L), Xle->Gln (I), Xle->Gln (L), Xle->Glu (I), Xle->Glu (L), Xle->Gly (I), Xle->Gly (L), Xle->His (I), Xle->His (L), Xle->Lys (I), Xle->Lys (L), Xle->Met (I), Xle->Met (L), Xle->Phe (I), Xle->Phe (L), Xle->Pro (I), Xle->Pro (L), Xle->Ser (I), Xle->Ser (L), Xle->Thr (I), Xle->Thr (L), Xle->Trp (I), Xle->Trp (L), Xle->Tyr (I), Xle->Tyr (L), Xle->Val (I), Xle->Val (L), Xlink:B10621 (C), Xlink:BMOE (C), Xlink:BS2G[113] (K), Xlink:BS2G[113] (Protein N-term), Xlink:BS2G[114] (K), Xlink:BS2G[114] (Protein N-term), Xlink:BS2G[217] (K), Xlink:BS2G[217] (Protein N-term), Xlink:BS2G[96] (K), Xlink:BS2G[96] (Protein N-term), Xlink:BuUrBu[111] (K), Xlink:BuUrBu[111] (Protein N-term), Xlink:BuUrBu[111] (S), Xlink:BuUrBu[111] (T), Xlink:BuUrBu[111] (Y), Xlink:BuUrBu[196] (K), Xlink:BuUrBu[196] (Protein N-term), Xlink:BuUrBu[196] (S), Xlink:BuUrBu[196] (T), Xlink:BuUrBu[196] (Y), Xlink:BuUrBu[213] (K), Xlink:BuUrBu[213] (Protein N-term), Xlink:BuUrBu[213] (S), Xlink:BuUrBu[213] (T), Xlink:BuUrBu[213] (Y), Xlink:BuUrBu[214] (K), Xlink:BuUrBu[214] (Protein N-term), Xlink:BuUrBu[214] (S), Xlink:BuUrBu[214] (T), Xlink:BuUrBu[214] (Y), Xlink:BuUrBu[317] (K), Xlink:BuUrBu[317] (Protein N-term), Xlink:BuUrBu[317] (S), Xlink:BuUrBu[317] (T), Xlink:BuUrBu[317] (Y), Xlink:BuUrBu[85] (K), Xlink:BuUrBu[85] (Protein N-term), Xlink:BuUrBu[85] (S), Xlink:BuUrBu[85] (T), Xlink:BuUrBu[85] (Y), Xlink:DFDNB (K), Xlink:DFDNB (N), Xlink:DFDNB (Q), Xlink:DFDNB (R), Xlink:DMP[122] (K), Xlink:DMP[122] (Protein N-term), Xlink:DMP[139] (K), Xlink:DMP[139] (Protein N-term), Xlink:DMP[140] (K), Xlink:DMP[140] (Protein N-term), Xlink:DMP[154] (K), Xlink:DMP[154] (Protein N-term), Xlink:DSPP[210] (K), Xlink:DSPP[210] (Protein N-term), Xlink:DSPP[226] (K), Xlink:DSPP[226] (Protein N-term), Xlink:DSPP[228] (K), Xlink:DSPP[228] (Protein N-term), Xlink:DSPP[331] (K), Xlink:DSPP[331] (Protein N-term), Xlink:DSS[138] (K), Xlink:DSS[138] (Protein N-term), Xlink:DSS[155] (K), Xlink:DSS[155] (Protein N-term), Xlink:DSS[156] (K), Xlink:DSS[156] (Protein N-term), Xlink:DSS[259] (K), Xlink:DSS[259] (Protein N-term), Xlink:DSSO[104] (K), Xlink:DSSO[104] (Protein N-term), Xlink:DSSO[158] (K), Xlink:DSSO[158] (Protein N-term), Xlink:DSSO[175] (K), Xlink:DSSO[175] (Protein N-term), Xlink:DSSO[176] (K), Xlink:DSSO[176] (Protein N-term), Xlink:DSSO[279] (K), Xlink:DSSO[279] (Protein N-term), Xlink:DSSO[54] (K), Xlink:DSSO[54] (Protein N-term), Xlink:DSSO[86] (K), Xlink:DSSO[86] (Protein N-term), Xlink:DST[114] (K), Xlink:DST[114] (Protein N-term), Xlink:DST[132] (K), Xlink:DST[132] (Protein N-term), Xlink:DST[56] (K), Xlink:DST[56] (Protein N-term), Xlink:DTBP[172] (K), Xlink:DTBP[172] (Protein N-term), Xlink:DTBP[87] (K), Xlink:DTBP[87] (Protein N-term), Xlink:DTSSP[174] (K), Xlink:DTSSP[174] (Protein N-term), Xlink:DTSSP[192] (K), Xlink:DTSSP[192] (Protein N-term), Xlink:DTSSP[88] (K), Xlink:DTSSP[88] (Protein N-term), Xlink:EGS[115] (K), Xlink:EGS[115] (Protein N-term), Xlink:EGS[226] (K), Xlink:EGS[226] (Protein N-term), Xlink:EGS[244] (K), Xlink:EGS[244] (Protein N-term), Xlink:SMCC[219] (C), Xlink:SMCC[219] (K), Xlink:SMCC[219] (Protein N-term), Xlink:SMCC[237] (C), Xlink:SMCC[237] (K), Xlink:SMCC[237] (Protein N-term), Xlink:SMCC[321] (C), ZGB (K), ZGB (N-term), ZQG (K)
variable[Oxidation (M)] Variable modifications, specified using UniMod (www.unimod.org) terms, e.g. 'Oxidation (M)'15N-oxobutanoic (N-term C), 15N-oxobutanoic (Protein N-term S), 15N-oxobutanoic (Protein N-term T), 2-dimethylsuccinyl (C), 2-methylbutyryl (K), 2-monomethylsuccinyl (C), 2-nitrobenzyl (Y), 2-succinyl (C), 2HPG (R), 2PCA-triazole-ethanethiol (N-term), 3-deoxyglucosone (R), 3-hydroxy-3-methylglutaryl (K), 3-hydroxybenzyl-phosphate (K), 3-hydroxybenzyl-phosphate (S), 3-hydroxybenzyl-phosphate (T), 3-hydroxybenzyl-phosphate (Y), 3-methylglutaconyl (K), 3-methylglutaryl (K), 3-phosphoglyceryl (K), 3sulfo (N-term), 4-ONE (C), 4-ONE (H), 4-ONE (K), 4-ONE+Delta:H(-2)O(-1) (C), 4-ONE+Delta:H(-2)O(-1) (H), 4-ONE+Delta:H(-2)O(-1) (K), 4AcAllylGal (C), 6C-CysPAT (C), 6C-CysPAT (D), 6C-CysPAT (E), 6C-CysPAT (H), 6C-CysPAT (K), 6C-CysPAT (N-term), 6C-CysPAT (S), 6C-CysPAT (T), 6C-CysPAT (Y), a-type-ion (C-term), AccQTag (K), AccQTag (N-term), Acetoacetyl (K), Acetyl (C), Acetyl (H), Acetyl (K), Acetyl (N-term), Acetyl (Protein N-term), Acetyl (R), Acetyl (S), Acetyl (T), Acetyl (Y), Acetyl:13C(2) (K), Acetyl:13C(2) (Protein N-term), Acetyl:2H(3) (H), Acetyl:2H(3) (K), Acetyl:2H(3) (N-term), Acetyl:2H(3) (Protein N-term), Acetyl:2H(3) (S), Acetyl:2H(3) (T), Acetyl:2H(3) (Y), Acetyldeoxyhypusine (K), Acetylhypusine (K), ADP-Ribosyl (C), ADP-Ribosyl (D), ADP-Ribosyl (E), ADP-Ribosyl (K), ADP-Ribosyl (N), ADP-Ribosyl (R), ADP-Ribosyl (S), ADP-Ribosyl (T), AEBS (H), AEBS (K), AEBS (Protein N-term), AEBS (S), AEBS (Y), AEC-MAEC (S), AEC-MAEC (T), AEC-MAEC:2H(4) (S), AEC-MAEC:2H(4) (T), AFB1_Dialdehyde (K), AHA-Alkyne (M), AHA-Alkyne-KDDDD (M), AHA-SS (M), AHA-SS_CAM (M), Ahx2+Hsl (C-term), Ala->Arg (A), Ala->Asn (A), Ala->Asp (A), Ala->Cys (A), Ala->Gln (A), Ala->Glu (A), Ala->Gly (A), Ala->His (A), Ala->Lys (A), Ala->Met (A), Ala->Phe (A), Ala->Pro (A), Ala->Ser (A), Ala->Thr (A), Ala->Trp (A), Ala->Tyr (A), Ala->Val (A), Ala->Xle (A), Amidated (C-term), Amidated (Protein C-term), Amidine (K), Amidine (N-term), Amidino (C), Amino (Y), Ammonia-loss (N), Ammonia-loss (N-term C), Ammonia-loss (Protein N-term S), Ammonia-loss (Protein N-term T), Ammonium (C-term), Ammonium (D), Ammonium (E), AMTzHexNAc2 (N), AMTzHexNAc2 (S), AMTzHexNAc2 (T), Andro-H2O (C), Archaeol (C), Arg (N-term), Arg->Ala (R), Arg->Asn (R), Arg->Asp (R), Arg->Cys (R), Arg->Gln (R), Arg->Glu (R), Arg->GluSA (R), Arg->Gly (R), Arg->His (R), Arg->Lys (R), Arg->Met (R), Arg->Npo (R), Arg->Orn (R), Arg->Phe (R), Arg->Pro (R), Arg->Ser (R), Arg->Thr (R), Arg->Trp (R), Arg->Tyr (R), Arg->Val (R), Arg->Xle (R), Arg-loss (C-term R), Arg2PG (R), Argbiotinhydrazide (R), AROD (C), Asn->Ala (N), Asn->Arg (N), Asn->Asp (N), Asn->Cys (N), Asn->Gln (N), Asn->Glu (N), Asn->Gly (N), Asn->His (N), Asn->Lys (N), Asn->Met (N), Asn->Phe (N), Asn->Pro (N), Asn->Ser (N), Asn->Thr (N), Asn->Trp (N), Asn->Tyr (N), Asn->Val (N), Asn->Xle (N), Asp->Ala (D), Asp->Arg (D), Asp->Asn (D), Asp->Cys (D), Asp->Gln (D), Asp->Glu (D), Asp->Gly (D), Asp->His (D), Asp->Lys (D), Asp->Met (D), Asp->Phe (D), Asp->Pro (D), Asp->Ser (D), Asp->Thr (D), Asp->Trp (D), Asp->Tyr (D), Asp->Val (D), Asp->Xle (D), Aspartylurea (H), Atto495Maleimide (C), AzidoF (F), azole (C), azole (S), Bacillosamine (N), BADGE (C), BDMAPP (H), BDMAPP (K), BDMAPP (Protein N-term), BDMAPP (W), BDMAPP (Y), BEMAD_C (C), BEMAD_C:2H(6) (C), BEMAD_ST (S), BEMAD_ST (T), BEMAD_ST:2H(6) (S), BEMAD_ST:2H(6) (T), Benzoyl (K), Benzoyl (N-term), benzylguanidine (K), betaFNA (C), betaFNA (K), BHT (C), BHT (H), BHT (K), BHTOH (C), BHTOH (H), BHTOH (K), Biotin (K), Biotin (N-term), Biotin-HPDP (C), Biotin-PEG-PRA (M), Biotin-PEO-Amine (D), Biotin-PEO-Amine (E), Biotin-PEO-Amine (Protein C-term), Biotin-phenacyl (C), Biotin-phenacyl (H), Biotin-phenacyl (S), Biotin-tyramide (C), Biotin-tyramide (W), Biotin-tyramide (Y), Biotin:Aha-DADPS (M), Biotin:Aha-PC (M), Biotin:Cayman-10013 (C), Biotin:Cayman-10141 (C), Biotin:Invitrogen-M1602 (C), Biotin:Sigma-B1267 (C), Biotin:Thermo-21325 (K), Biotin:Thermo-21328 (K), Biotin:Thermo-21328 (N-term), Biotin:Thermo-21330 (K), Biotin:Thermo-21330 (N-term), Biotin:Thermo-21345 (Q), Biotin:Thermo-21360 (X), Biotin:Thermo-21901+2H2O (C), Biotin:Thermo-21901+H2O (C), Biotin:Thermo-21911 (C), Biotin:Thermo-33033 (X), Biotin:Thermo-33033-H (X), Biotin:Thermo-88310 (K), Biotin:Thermo-88317 (S), Biotin:Thermo-88317 (Y), biotinAcrolein298 (C), biotinAcrolein298 (H), biotinAcrolein298 (K), biotinAcrolein298 (Protein N-term), BisANS (K), bisANS-sulfonates (K), bisANS-sulfonates (S), bisANS-sulfonates (T), BITC (C), BITC (K), BITC (N-term), BMP-piperidinol (C), BMP-piperidinol (M), Brij35 (N-term), Brij58 (N-term), Bromo (F), Bromo (H), Bromo (W), Bromo (Y), Bromobimane (C), Butyryl (K), C8-QAT (K), C8-QAT (N-term), CAF (N-term), CAMthiopropanoyl (K), CAMthiopropanoyl (Protein N-term), Can-FP-biotin (S), Can-FP-biotin (T), Can-FP-biotin (Y), Carbamidomethyl (C), Carbamidomethyl (D), Carbamidomethyl (E), Carbamidomethyl (H), Carbamidomethyl (K), Carbamidomethyl (M), Carbamidomethyl (N-term), Carbamidomethyl (S), Carbamidomethyl (T), Carbamidomethyl (U), Carbamidomethyl (Y), CarbamidomethylDTT (C), Carbamyl (C), Carbamyl (K), Carbamyl (M), Carbamyl (N-term), Carbamyl (Protein N-term), Carbamyl (R), Carbamyl (S), Carbamyl (T), Carbamyl (Y), Carbofuran (S), Carbonyl (A), Carbonyl (E), Carbonyl (I), Carbonyl (L), Carbonyl (Q), Carbonyl (R), Carbonyl (S), Carbonyl (V), Carboxy (D), Carboxy (E), Carboxy (K), Carboxy (Protein N-term M), Carboxy (W), Carboxy->Thiocarboxy (Protein C-term G), Carboxyethyl (H), Carboxyethyl (K), Carboxyethylpyrrole (K), Carboxymethyl (C), Carboxymethyl (K), Carboxymethyl (N-term), Carboxymethyl (U), Carboxymethyl (W), Carboxymethyl:13C(2) (C), CarboxymethylDMAP (N-term), CarboxymethylDTT (C), Cation:Ag (C-term), Cation:Ag (D), Cation:Ag (E), Cation:Al[III] (C-term), Cation:Al[III] (D), Cation:Al[III] (E), Cation:Ca[II] (C-term), Cation:Ca[II] (D), Cation:Ca[II] (E), Cation:Cu[I] (C-term), Cation:Cu[I] (D), Cation:Cu[I] (E), Cation:Cu[I] (H), Cation:Fe[II] (C-term), Cation:Fe[II] (D), Cation:Fe[II] (E), Cation:Fe[III] (C-term), Cation:Fe[III] (D), Cation:Fe[III] (E), Cation:K (C-term), Cation:K (D), Cation:K (E), Cation:Li (C-term), Cation:Li (D), Cation:Li (E), Cation:Mg[II] (C-term), Cation:Mg[II] (D), Cation:Mg[II] (E), Cation:Na (C-term), Cation:Na (D), Cation:Na (E), Cation:Ni[II] (C-term), Cation:Ni[II] (D), Cation:Ni[II] (E), Cation:Zn[II] (C-term), Cation:Zn[II] (D), Cation:Zn[II] (E), Cation:Zn[II] (H), cGMP (C), cGMP (S), cGMP+RMP-loss (C), cGMP+RMP-loss (S), CHDH (D), Chlorination (W), Chlorination (Y), Cholesterol (Protein C-term), CIGG (K), CLIP_TRAQ_2 (K), CLIP_TRAQ_2 (N-term), CLIP_TRAQ_2 (Y), CLIP_TRAQ_3 (K), CLIP_TRAQ_3 (N-term), CLIP_TRAQ_3 (Y), CLIP_TRAQ_4 (K), CLIP_TRAQ_4 (N-term), CLIP_TRAQ_4 (Y), CoenzymeA (C), Cresylphosphate (H), Cresylphosphate (K), Cresylphosphate (R), Cresylphosphate (S), Cresylphosphate (T), Cresylphosphate (Y), CresylSaligeninPhosphate (H), CresylSaligeninPhosphate (K), CresylSaligeninPhosphate (R), CresylSaligeninPhosphate (S), CresylSaligeninPhosphate (T), CresylSaligeninPhosphate (Y), Crotonaldehyde (C), Crotonaldehyde (H), Crotonaldehyde (K), Crotonyl (K), CuSMo (C), CUSTOM0 (A), CUSTOM0 (C), CUSTOM0 (C-term), CUSTOM0 (D), CUSTOM0 (E), CUSTOM0 (F), CUSTOM0 (G), CUSTOM0 (H), CUSTOM0 (I), CUSTOM0 (K), CUSTOM0 (L), CUSTOM0 (M), CUSTOM0 (N), CUSTOM0 (N-term), CUSTOM0 (P), CUSTOM0 (Q), CUSTOM0 (R), CUSTOM0 (S), CUSTOM0 (T), CUSTOM0 (V), CUSTOM0 (W), CUSTOM0 (Y), CUSTOM1 (A), CUSTOM1 (C), CUSTOM1 (C-term), CUSTOM1 (D), CUSTOM1 (E), CUSTOM1 (F), CUSTOM1 (G), CUSTOM1 (H), CUSTOM1 (I), CUSTOM1 (K), CUSTOM1 (L), CUSTOM1 (M), CUSTOM1 (N), CUSTOM1 (N-term), CUSTOM1 (P), CUSTOM1 (Q), CUSTOM1 (R), CUSTOM1 (S), CUSTOM1 (T), CUSTOM1 (V), CUSTOM1 (W), CUSTOM1 (Y), CUSTOM2 (A), CUSTOM2 (C), CUSTOM2 (C-term), CUSTOM2 (D), CUSTOM2 (E), CUSTOM2 (F), CUSTOM2 (G), CUSTOM2 (H), CUSTOM2 (I), CUSTOM2 (K), CUSTOM2 (L), CUSTOM2 (M), CUSTOM2 (N), CUSTOM2 (N-term), CUSTOM2 (P), CUSTOM2 (Q), CUSTOM2 (R), CUSTOM2 (S), CUSTOM2 (T), CUSTOM2 (V), CUSTOM2 (W), CUSTOM2 (Y), CUSTOM3 (A), CUSTOM3 (C), CUSTOM3 (C-term), CUSTOM3 (D), CUSTOM3 (E), CUSTOM3 (F), CUSTOM3 (G), CUSTOM3 (H), CUSTOM3 (I), CUSTOM3 (K), CUSTOM3 (L), CUSTOM3 (M), CUSTOM3 (N), CUSTOM3 (N-term), CUSTOM3 (P), CUSTOM3 (Q), CUSTOM3 (R), CUSTOM3 (S), CUSTOM3 (T), CUSTOM3 (V), CUSTOM3 (W), CUSTOM3 (Y), CUSTOM4 (A), CUSTOM4 (C), CUSTOM4 (C-term), CUSTOM4 (D), CUSTOM4 (E), CUSTOM4 (F), CUSTOM4 (G), CUSTOM4 (H), CUSTOM4 (I), CUSTOM4 (K), CUSTOM4 (L), CUSTOM4 (M), CUSTOM4 (N), CUSTOM4 (N-term), CUSTOM4 (P), CUSTOM4 (Q), CUSTOM4 (R), CUSTOM4 (S), CUSTOM4 (T), CUSTOM4 (V), CUSTOM4 (W), CUSTOM4 (Y), CUSTOM5 (A), CUSTOM5 (C), CUSTOM5 (C-term), CUSTOM5 (D), CUSTOM5 (E), CUSTOM5 (F), CUSTOM5 (G), CUSTOM5 (H), CUSTOM5 (I), CUSTOM5 (K), CUSTOM5 (L), CUSTOM5 (M), CUSTOM5 (N), CUSTOM5 (N-term), CUSTOM5 (P), CUSTOM5 (Q), CUSTOM5 (R), CUSTOM5 (S), CUSTOM5 (T), CUSTOM5 (V), CUSTOM5 (W), CUSTOM5 (Y), CUSTOM6 (A), CUSTOM6 (C), CUSTOM6 (C-term), CUSTOM6 (D), CUSTOM6 (E), CUSTOM6 (F), CUSTOM6 (G), CUSTOM6 (H), CUSTOM6 (I), CUSTOM6 (K), CUSTOM6 (L), CUSTOM6 (M), CUSTOM6 (N), CUSTOM6 (N-term), CUSTOM6 (P), CUSTOM6 (Q), CUSTOM6 (R), CUSTOM6 (S), CUSTOM6 (T), CUSTOM6 (V), CUSTOM6 (W), CUSTOM6 (Y), CUSTOM7 (A), CUSTOM7 (C), CUSTOM7 (C-term), CUSTOM7 (D), CUSTOM7 (E), CUSTOM7 (F), CUSTOM7 (G), CUSTOM7 (H), CUSTOM7 (I), CUSTOM7 (K), CUSTOM7 (L), CUSTOM7 (M), CUSTOM7 (N), CUSTOM7 (N-term), CUSTOM7 (P), CUSTOM7 (Q), CUSTOM7 (R), CUSTOM7 (S), CUSTOM7 (T), CUSTOM7 (V), CUSTOM7 (W), CUSTOM7 (Y), CUSTOM8 (A), CUSTOM8 (C), CUSTOM8 (C-term), CUSTOM8 (D), CUSTOM8 (E), CUSTOM8 (F), CUSTOM8 (G), CUSTOM8 (H), CUSTOM8 (I), CUSTOM8 (K), CUSTOM8 (L), CUSTOM8 (M), CUSTOM8 (N), CUSTOM8 (N-term), CUSTOM8 (P), CUSTOM8 (Q), CUSTOM8 (R), CUSTOM8 (S), CUSTOM8 (T), CUSTOM8 (V), CUSTOM8 (W), CUSTOM8 (Y), CUSTOM9 (A), CUSTOM9 (C), CUSTOM9 (C-term), CUSTOM9 (D), CUSTOM9 (E), CUSTOM9 (F), CUSTOM9 (G), CUSTOM9 (H), CUSTOM9 (I), CUSTOM9 (K), CUSTOM9 (L), CUSTOM9 (M), CUSTOM9 (N), CUSTOM9 (N-term), CUSTOM9 (P), CUSTOM9 (Q), CUSTOM9 (R), CUSTOM9 (S), CUSTOM9 (T), CUSTOM9 (V), CUSTOM9 (W), CUSTOM9 (Y), Cy3-maleimide (C), Cy3b-maleimide (C), Cyano (C), CyDye-Cy3 (C), CyDye-Cy5 (C), Cys->Ala (C), Cys->Arg (C), Cys->Asn (C), Cys->Asp (C), Cys->CamSec (C), Cys->Dha (C), Cys->ethylaminoAla (C), Cys->Gln (C), Cys->Glu (C), Cys->Gly (C), Cys->His (C), Cys->Lys (C), Cys->Met (C), Cys->methylaminoAla (C), Cys->Oxoalanine (C), Cys->Phe (C), Cys->Pro (C), Cys->PyruvicAcid (Protein N-term C), Cys->SecNEM (C), Cys->SecNEM:2H(5) (C), Cys->Ser (C), Cys->Thr (C), Cys->Trp (C), Cys->Tyr (C), Cys->Val (C), Cys->Xle (C), Cysteinyl (C), cysTMT (C), cysTMT6plex (C), Cytopiloyne (C), Cytopiloyne (K), Cytopiloyne (N-term), Cytopiloyne (P), Cytopiloyne (R), Cytopiloyne (S), Cytopiloyne (Y), Cytopiloyne+water (C), Cytopiloyne+water (K), Cytopiloyne+water (N-term), Cytopiloyne+water (R), Cytopiloyne+water (S), Cytopiloyne+water (T), Cytopiloyne+water (Y), DABCYL-C2-maleimide (C), DABCYL-C2-maleimide (K), DAET (S), DAET (T), Dansyl (K), Dansyl (N-term), Dap-DSP (A), Dap-DSP (E), Dap-DSP (K), DBIA (C), DCP (C), Deamidated (N), Deamidated (Protein N-term F), Deamidated (Q), Deamidated (R), Deamidated:18O(1) (N), Deamidated:18O(1) (Q), Decanoyl (S), Decanoyl (T), Decarboxylation (D), Decarboxylation (E), DEDGFLYMVYASQETFG (K), Dehydrated (D), Dehydrated (N-term C), Dehydrated (Protein C-term N), Dehydrated (Protein C-term Q), Dehydrated (S), Dehydrated (T), Dehydrated (Y), Dehydro (C), Delta:H(-1)N(-1)18O(1) (N), Delta:H(-4)O(2) (W), Delta:H(-4)O(3) (W), Delta:H(10)C(8)O(1) (K), Delta:H(2)C(2) (H), Delta:H(2)C(2) (K), Delta:H(2)C(2) (N-term), Delta:H(2)C(2) (Protein N-term), Delta:H(2)C(3) (K), Delta:H(2)C(3)O(1) (K), Delta:H(2)C(3)O(1) (R), Delta:H(2)C(5) (K), Delta:H(4)C(2) (H), Delta:H(4)C(2) (K), Delta:H(4)C(2) (N-term), Delta:H(4)C(2)O(-1)S(1) (S), Delta:H(4)C(3) (H), Delta:H(4)C(3) (K), Delta:H(4)C(3) (Protein N-term), Delta:H(4)C(3)O(1) (C), Delta:H(4)C(3)O(1) (H), Delta:H(4)C(3)O(1) (K), Delta:H(4)C(3)O(1) (R), Delta:H(4)C(3)O(2) (K), Delta:H(4)C(5)O(1) (R), Delta:H(4)C(6) (K), Delta:H(5)C(2) (P), Delta:H(6)C(3)O(1) (C), Delta:H(6)C(3)O(1) (H), Delta:H(6)C(3)O(1) (K), Delta:H(6)C(3)O(1) (Protein N-term), Delta:H(6)C(6)O(1) (K), Delta:H(6)C(7)O(4) (R), Delta:H(8)C(6)O(1) (K), Delta:H(8)C(6)O(1) (Protein N-term), Delta:H(8)C(6)O(2) (K), Delta:Hg(1) (C), Delta:O(4) (W), Delta:S(-1)Se(1) (C), Delta:S(-1)Se(1) (M), Delta:Se(1) (C), Deoxy (D), Deoxy (S), Deoxy (T), Deoxyhypusine (K), Deoxyhypusine (Q), DeStreak (C), Dethiomethyl (M), dHex (N), dHex (S), dHex (T), dHex(1)Hex(1) (S), dHex(1)Hex(1) (T), dHex(1)Hex(1)HexA(1)HexNAc(3) (S), dHex(1)Hex(1)HexA(1)HexNAc(3) (T), dHex(1)Hex(1)HexNAc(1)Kdn(1) (S), dHex(1)Hex(1)HexNAc(1)Kdn(1) (T), dHex(1)Hex(1)HexNAc(1)NeuAc(1) (S), dHex(1)Hex(1)HexNAc(1)NeuAc(1) (T), dHex(1)Hex(1)HexNAc(1)NeuGc(1) (S), dHex(1)Hex(1)HexNAc(1)NeuGc(1) (T), dHex(1)Hex(1)HexNAc(2)Kdn(1) (S), dHex(1)Hex(1)HexNAc(2)Kdn(1) (T), dHex(1)Hex(1)HexNAc(2)NeuAc(1) (S), dHex(1)Hex(1)HexNAc(2)NeuAc(1) (T), dHex(1)Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (S), dHex(1)Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (T), dHex(1)Hex(1)HexNAc(2)NeuAc(2) (S), dHex(1)Hex(1)HexNAc(2)NeuAc(2) (T), dHex(1)Hex(1)HexNAc(2)Sulf(1) (S), dHex(1)Hex(1)HexNAc(2)Sulf(1) (T), dHex(1)Hex(1)HexNAc(3) (S), dHex(1)Hex(1)HexNAc(3) (T), dHex(1)Hex(1)HexNAc(3)NeuAc(1) (S), dHex(1)Hex(1)HexNAc(3)NeuAc(1) (T), dHex(1)Hex(1)HexNAc(3)NeuAc(1)Sulf(1) (S), dHex(1)Hex(1)HexNAc(3)NeuAc(1)Sulf(1) (T), dHex(1)Hex(1)HexNAc(3)NeuGc(1) (S), dHex(1)Hex(1)HexNAc(3)NeuGc(1) (T), dHex(1)Hex(1)HexNAc(3)Sulf(1) (S), dHex(1)Hex(1)HexNAc(3)Sulf(1) (T), dHex(1)Hex(1)HexNAc(4) (S), dHex(1)Hex(1)HexNAc(4) (T), dHex(1)Hex(2) (S), dHex(1)Hex(2) (T), dHex(1)Hex(2)HexA(1) (S), dHex(1)Hex(2)HexA(1) (T), dHex(1)Hex(2)HexA(1)HexNAc(1) (S), dHex(1)Hex(2)HexA(1)HexNAc(1) (T), dHex(1)Hex(2)HexA(1)HexNAc(1)Sulf(1) (S), dHex(1)Hex(2)HexA(1)HexNAc(1)Sulf(1) (T), dHex(1)Hex(2)HexA(1)HexNAc(2) (S), dHex(1)Hex(2)HexA(1)HexNAc(2) (T), dHex(1)Hex(2)HexNAc(1) (S), dHex(1)Hex(2)HexNAc(1) (T), dHex(1)Hex(2)HexNAc(1)NeuAc(2) (S), dHex(1)Hex(2)HexNAc(1)NeuAc(2) (T), dHex(1)Hex(2)HexNAc(1)Sulf(1) (S), dHex(1)Hex(2)HexNAc(1)Sulf(1) (T), dHex(1)Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (S), dHex(1)Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (T), dHex(1)Hex(2)HexNAc(2)NeuAc(2) (S), dHex(1)Hex(2)HexNAc(2)NeuAc(2) (T), dHex(1)Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (S), dHex(1)Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (T), dHex(1)Hex(2)HexNAc(2)NeuGc(1) (N), dHex(1)Hex(2)HexNAc(2)NeuGc(1) (S), dHex(1)Hex(2)HexNAc(2)NeuGc(1) (T), dHex(1)Hex(2)HexNAc(2)NeuGc(2) (S), dHex(1)Hex(2)HexNAc(2)NeuGc(2) (T), dHex(1)Hex(2)HexNAc(2)NeuGc(3) (S), dHex(1)Hex(2)HexNAc(2)NeuGc(3) (T), dHex(1)Hex(2)HexNAc(2)Pent(1) (N), dHex(1)Hex(2)HexNAc(2)Sulf(1) (S), 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dHex(2)Hex(4)HexNAc(2) (N), dHex(2)Hex(4)HexNAc(2) (S), dHex(2)Hex(4)HexNAc(2) (T), dHex(2)Hex(4)HexNAc(3) (N), dHex(2)Hex(4)HexNAc(3)NeuAc(1)Sulf(1) (N), dHex(2)Hex(4)HexNAc(3)Pent(1) (N), dHex(2)Hex(4)HexNAc(4) (N), dHex(2)Hex(4)HexNAc(4) (S), dHex(2)Hex(4)HexNAc(4) (T), dHex(2)Hex(4)HexNAc(4)Pent(1) (N), dHex(2)Hex(4)HexNAc(4)Sulf(1) (N), dHex(2)Hex(4)HexNAc(5) (N), dHex(2)Hex(4)HexNAc(5) (S), dHex(2)Hex(4)HexNAc(5) (T), dHex(2)Hex(5)HexNAc(2)Me(1) (S), dHex(2)Hex(5)HexNAc(2)Me(1) (T), dHex(2)Hex(5)HexNAc(3)Pent(1) (N), dHex(2)Hex(5)HexNAc(4) (N), dHex(2)HexNAc(2)Kdn(1) (S), dHex(2)HexNAc(2)Kdn(1) (T), dHex(2)HexNAc(5) (S), dHex(2)HexNAc(5) (T), dHex(2)HexNAc(7) (S), dHex(2)HexNAc(7) (T), dHex(3)Hex(1)HexNAc(2)Kdn(1) (S), dHex(3)Hex(1)HexNAc(2)Kdn(1) (T), dHex(3)Hex(1)HexNAc(3)Kdn(1) (S), dHex(3)Hex(1)HexNAc(3)Kdn(1) (T), dHex(3)Hex(2)HexA(1)HexNAc(2)Sulf(1) (S), dHex(3)Hex(2)HexA(1)HexNAc(2)Sulf(1) (T), dHex(3)Hex(2)HexNAc(2) (S), dHex(3)Hex(2)HexNAc(2) (T), dHex(3)Hex(2)HexNAc(2)Kdn(1) (S), dHex(3)Hex(2)HexNAc(2)Kdn(1) (T), dHex(3)Hex(2)HexNAc(3) (S), dHex(3)Hex(2)HexNAc(3) (T), dHex(3)Hex(2)HexNAc(3)Kdn(1) (S), dHex(3)Hex(2)HexNAc(3)Kdn(1) (T), dHex(3)Hex(2)HexNAc(4) (S), dHex(3)Hex(2)HexNAc(4) (T), dHex(3)Hex(2)HexNAc(4)Sulf(2) (S), dHex(3)Hex(2)HexNAc(4)Sulf(2) (T), dHex(3)Hex(3)HexNAc(1) (S), dHex(3)Hex(3)HexNAc(1) (T), dHex(3)Hex(3)HexNAc(2) (S), dHex(3)Hex(3)HexNAc(2) (T), dHex(3)Hex(3)HexNAc(3) (S), dHex(3)Hex(3)HexNAc(3) (T), dHex(3)Hex(3)HexNAc(3)NeuAc(1) (S), dHex(3)Hex(3)HexNAc(3)NeuAc(1) (T), dHex(3)Hex(3)HexNAc(3)Pent(1) (N), dHex(3)Hex(3)HexNAc(4) (N), dHex(3)Hex(3)HexNAc(4)Pent(1) (N), dHex(3)Hex(4)HexNAc(4) (N), dHex(3)Hex(4)HexNAc(4) (S), dHex(3)Hex(4)HexNAc(4) (T), dHex(3)Hex(4)HexNAc(4)Sulf(1) (N), dHex(3)HexNAc(3)Kdn(1) (S), dHex(3)HexNAc(3)Kdn(1) (T), dHex(4)Hex(1)HexNAc(1)Kdn(2) (S), dHex(4)Hex(1)HexNAc(1)Kdn(2) (T), dHex(4)Hex(1)HexNAc(2)Kdn(1) (S), dHex(4)Hex(1)HexNAc(2)Kdn(1) (T), dHex(4)Hex(1)HexNAc(3)Kdn(1) (S), dHex(4)Hex(1)HexNAc(3)Kdn(1) (T), dHex(4)Hex(2)HexNAc(2)Kdn(1) (S), dHex(4)Hex(2)HexNAc(2)Kdn(1) (T), dHex(4)Hex(2)HexNAc(3) (S), dHex(4)Hex(2)HexNAc(3) (T), dHex(4)Hex(3)HexNAc(2)NeuAc(1) (S), dHex(4)Hex(3)HexNAc(2)NeuAc(1) (T), dHex(4)Hex(3)HexNAc(3) (S), dHex(4)Hex(3)HexNAc(3) (T), dHex(4)HexNAc(3)Kdn(1) (S), dHex(4)HexNAc(3)Kdn(1) (T), DHP (C), Di_L-Gln_Ngamma-propargyl-L-Gln_desthiobiotin (D), Di_L-Gln_Ngamma-propargyl-L-Gln_desthiobiotin (E), Di_L-Glu_Ngamma-propargyl-L-Gln_desthiobiotin (D), Di_L-Glu_Ngamma-propargyl-L-Gln_desthiobiotin (E), Diacylglycerol (C), DiART6plex (K), DiART6plex (N-term), DiART6plex (Protein N-term), DiART6plex (Y), DiART6plex115 (K), DiART6plex115 (N-term), DiART6plex115 (Protein N-term), DiART6plex115 (Y), DiART6plex116/119 (K), DiART6plex116/119 (N-term), DiART6plex116/119 (Protein N-term), DiART6plex116/119 (Y), DiART6plex117 (K), DiART6plex117 (N-term), DiART6plex117 (Protein N-term), DiART6plex117 (Y), DiART6plex118 (K), DiART6plex118 (N-term), DiART6plex118 (Protein N-term), DiART6plex118 (Y), Dibromo (Y), Dicarbamidomethyl (C), Dicarbamidomethyl (H), Dicarbamidomethyl (K), Dicarbamidomethyl (N-term), Dicarbamidomethyl (R), dichlorination (C), dichlorination (Y), Didehydro (C-term K), Didehydro (S), Didehydro (T), Didehydro (Y), Didehydroretinylidene (K), Diethyl (K), Diethyl (N-term), Diethylphosphate (C), Diethylphosphate (H), Diethylphosphate (K), Diethylphosphate (N-term), Diethylphosphate (S), Diethylphosphate (T), Diethylphosphate (Y), Diethylphosphothione (C), Diethylphosphothione (H), Diethylphosphothione (K), Diethylphosphothione (S), Diethylphosphothione (T), Diethylphosphothione (Y), Difuran (Y), Dihydroxyimidazolidine (R), Diiodo (H), Diiodo (Y), Diironsubcluster (C), Diisopropylphosphate (K), Diisopropylphosphate (N-term), Diisopropylphosphate (S), Diisopropylphosphate (T), Diisopropylphosphate (Y), DiLeu4plex (K), DiLeu4plex (N-term), DiLeu4plex (Y), DiLeu4plex115 (K), DiLeu4plex115 (N-term), DiLeu4plex115 (Y), DiLeu4plex117 (K), DiLeu4plex117 (N-term), DiLeu4plex117 (Y), DiLeu4plex118 (K), DiLeu4plex118 (N-term), DiLeu4plex118 (Y), Dimethyl (K), Dimethyl (N), Dimethyl (N-term), Dimethyl (Protein N-term P), Dimethyl (Protein N-term), Dimethyl (R), Dimethyl:2H(2)13C (K), Dimethyl:2H(2)13C (N), Dimethyl:2H(2)13C (N-term), Dimethyl:2H(2)13C (Protein N-term P), Dimethyl:2H(2)13C (R), Dimethyl:2H(4) (K), Dimethyl:2H(4) (N-term), Dimethyl:2H(4) (Protein N-term), Dimethyl:2H(4) (R), Dimethyl:2H(4)13C(2) (K), Dimethyl:2H(4)13C(2) (N-term), Dimethyl:2H(4)13C(2) (Protein N-term), Dimethyl:2H(4)13C(2) (R), Dimethyl:2H(6) (K), Dimethyl:2H(6) (N-term), Dimethyl:2H(6) (R), Dimethyl:2H(6)13C(2) (K), Dimethyl:2H(6)13C(2) (N-term), Dimethyl:2H(6)13C(2) (Protein N-term), Dimethyl:2H(6)13C(2) (R), DimethylamineGMBS (C), Dimethylaminoethyl (C), DimethylArsino (C), Dimethylphosphothione (C), Dimethylphosphothione (H), Dimethylphosphothione (K), Dimethylphosphothione (S), Dimethylphosphothione (T), Dimethylphosphothione (Y), DimethylpyrroleAdduct (K), Dioxidation (C), Dioxidation (E), Dioxidation (F), Dioxidation (I), Dioxidation (K), Dioxidation (L), Dioxidation (M), Dioxidation (P), Dioxidation (R), Dioxidation (U), Dioxidation (V), Dioxidation (W), Dioxidation (Y), Diphthamide (H), Dipyridyl (C), Dipyrrolylmethanemethyl (C), DMPO (C), DMPO (H), DMPO (Y), DNCB_hapten (C), DNCB_hapten (H), DNCB_hapten (K), DNCB_hapten (Y), dNIC (K), dNIC (N-term), DNPS (C), DNPS (W), DPIA (C), DTT (C), DVFQQQTGG (K), DyLight-maleimide (C), DYn-2 (C), EDEDTIDVFQQQTGG (K), EDT-iodoacetyl-PEO-biotin (S), EDT-iodoacetyl-PEO-biotin (T), EDT-maleimide-PEO-biotin (S), EDT-maleimide-PEO-biotin (T), EEEDVIEVYQEQTGG (K), EGCG1 (C), EGCG2 (C), EHD-diphenylpentanone (C), EHD-diphenylpentanone (M), EQAT (C), EQAT:2H(5) (C), EQIGG (K), ESP (K), ESP (N-term), ESP:2H(10) (K), ESP:2H(10) (N-term), Ethanedithiol (S), Ethanedithiol (T), Ethanolamine (C), Ethanolamine (C-term), Ethanolamine (D), Ethanolamine (E), Ethanolyl (C), Ethanolyl (K), Ethanolyl (R), Ethyl (C-term), Ethyl (D), Ethyl (E), Ethyl (K), Ethyl (N-term), Ethyl (Protein N-term), Ethyl+Deamidated (N), Ethyl+Deamidated (Q), ethylamino (S), ethylamino (T), Ethylphosphate (K), Ethylphosphate (N-term), Ethylphosphate (S), Ethylphosphate (T), Ethylphosphate (Y), ethylsulfonylethyl (C), ethylsulfonylethyl (H), ethylsulfonylethyl (K), Ethynyl (C), ExacTagAmine (K), ExacTagThiol (C), FAD (C), FAD (H), FAD (Y), Farnesyl (C), Fluorescein (C), Fluorescein-tyramine (Y), Fluoro (A), Fluoro (F), Fluoro (W), Fluoro (Y), FMN (S), FMN (T), FMNC (C), FMNH (C), FMNH (H), FNEM (C), Formyl (K), Formyl (N-term), Formyl (Protein N-term), Formyl (S), Formyl (T), Formylasparagine (H), FormylMet (Protein N-term), FP-Biotin (K), FP-Biotin (S), FP-Biotin (T), FP-Biotin (Y), FTC (C), FTC (K), FTC (P), FTC (R), FTC (S), Furan (Y), G-H1 (R), Galactosyl (K), Galactosyl (N-term), GEE (Q), GeranylGeranyl (C), GG (C), GG (K), GG (Protein N-term), GG (S), GG (T), GGQ (K), GIST-Quat (K), GIST-Quat (N-term), GIST-Quat:2H(3) (K), GIST-Quat:2H(3) (N-term), GIST-Quat:2H(6) (K), GIST-Quat:2H(6) (N-term), GIST-Quat:2H(9) (K), GIST-Quat:2H(9) (N-term), Gln->Ala (Q), Gln->Arg (Q), Gln->Asn (Q), Gln->Asp (Q), Gln->Cys (Q), Gln->Glu (Q), Gln->Gly (Q), Gln->His (Q), Gln->Lys (Q), Gln->Met (Q), Gln->Phe (Q), Gln->Pro (Q), Gln->pyro-Glu (N-term Q), Gln->Ser (Q), Gln->Thr (Q), Gln->Trp (Q), Gln->Tyr (Q), Gln->Val (Q), Gln->Xle (Q), Glu (E), Glu (Protein C-term), Glu+O(2) (H), Glu->Ala (E), Glu->Arg (E), Glu->Asn (E), Glu->Asp (E), Glu->Cys (E), Glu->Gln (E), Glu->Gly (E), Glu->His (E), Glu->Lys (E), Glu->Met (E), Glu->Phe (E), Glu->Pro (E), Glu->pyro-Glu (N-term E), Glu->pyro-Glu+Methyl (N-term E), Glu->pyro-Glu+Methyl:2H(2)13C(1) (N-term E), Glu->Ser (E), Glu->Thr (E), Glu->Trp (E), Glu->Tyr (E), Glu->Val (E), Glu->Xle (E), glucosone (R), Glucosylgalactosyl (K), Glucuronyl (Protein N-term), Glucuronyl (S), Glucuronyl (T), GluGlu (E), GluGlu (Protein C-term), GluGluGlu (E), GluGluGlu (Protein C-term), GluGluGluGlu (E), GluGluGluGlu (Protein C-term), Gluratylation (K), Glutathione (C), Gly (K), Gly (S), Gly (T), Gly+O(2) (H), Gly->Ala (G), Gly->Arg (G), Gly->Asn (G), Gly->Asp (G), Gly->Cys (G), Gly->Gln (G), Gly->Glu (G), Gly->His (G), Gly->Lys (G), Gly->Met (G), Gly->Phe (G), Gly->Pro (G), Gly->Ser (G), Gly->Thr (G), Gly->Trp (G), Gly->Tyr (G), Gly->Val (G), Gly->Xle (G), Gly-loss+Amide (C-term G), Glycerophospho (S), Glyceroyl (K), Glyceroyl (Protein N-term), GlycerylPE (E), glycidamide (K), glycidamide (N-term), Glycosyl (P), glyoxalAGE (R), Glyoxylyl (K), GNLLFLACYCIGG (K), GPIanchor (Protein C-term), Guanidinyl (K), Guanidinyl (N-term), Haloxon (C), Haloxon (H), Haloxon (K), Haloxon (S), Haloxon (T), Haloxon (Y), HCysteinyl (C), HCysThiolactone (K), Heme (C), Heme (H), Hep (K), Hep (N), Hep (Q), Hep (R), Hep (S), Hep (T), Hex (C), Hex (K), Hex (N), Hex (N-term), Hex (R), Hex (S), Hex (T), Hex (W), Hex (Y), Hex(1)HexA(1) (S), Hex(1)HexA(1) (T), Hex(1)HexA(1)HexNAc(1) (S), Hex(1)HexA(1)HexNAc(1) (T), Hex(1)HexA(1)HexNAc(2) (S), Hex(1)HexA(1)HexNAc(2) (T), Hex(1)HexNAc(1) (N), Hex(1)HexNAc(1) (S), Hex(1)HexNAc(1) (T), Hex(1)HexNAc(1)dHex(1) (N), Hex(1)HexNAc(1)dHex(1) (S), Hex(1)HexNAc(1)dHex(1) (T), Hex(1)HexNAc(1)dHex(1)Me(1) (S), Hex(1)HexNAc(1)dHex(1)Me(1) (T), Hex(1)HexNAc(1)dHex(1)Me(2) (S), Hex(1)HexNAc(1)dHex(1)Me(2) (T), Hex(1)HexNAc(1)Kdn(1)Sulf(1) (S), Hex(1)HexNAc(1)Kdn(1)Sulf(1) (T), Hex(1)HexNAc(1)NeuAc(1) (N), Hex(1)HexNAc(1)NeuAc(1) (S), Hex(1)HexNAc(1)NeuAc(1) (T), Hex(1)HexNAc(1)NeuAc(1)Ac(1) (S), Hex(1)HexNAc(1)NeuAc(1)Ac(1) (T), Hex(1)HexNAc(1)NeuAc(1)NeuGc(1) (S), Hex(1)HexNAc(1)NeuAc(1)NeuGc(1) (T), Hex(1)HexNAc(1)NeuAc(1)Sulf(1) (S), Hex(1)HexNAc(1)NeuAc(1)Sulf(1) (T), Hex(1)HexNAc(1)NeuAc(2) (N), Hex(1)HexNAc(1)NeuAc(2) (S), Hex(1)HexNAc(1)NeuAc(2) (T), Hex(1)HexNAc(1)NeuAc(2)Ac(1) (S), Hex(1)HexNAc(1)NeuAc(2)Ac(1) (T), Hex(1)HexNAc(1)NeuAc(2)Ac(2) (S), Hex(1)HexNAc(1)NeuAc(2)Ac(2) (T), Hex(1)HexNAc(1)NeuAc(3) (S), Hex(1)HexNAc(1)NeuAc(3) (T), Hex(1)HexNAc(1)NeuGc(1) (S), Hex(1)HexNAc(1)NeuGc(1) (T), Hex(1)HexNAc(1)NeuGc(2) (S), Hex(1)HexNAc(1)NeuGc(2) (T), Hex(1)HexNAc(1)NeuGc(3) (S), Hex(1)HexNAc(1)NeuGc(3) (T), Hex(1)HexNAc(1)NeuGc(4) (S), Hex(1)HexNAc(1)NeuGc(4) (T), Hex(1)HexNAc(1)NeuGc(5) (S), Hex(1)HexNAc(1)NeuGc(5) (T), Hex(1)HexNAc(1)Phos(1) (S), Hex(1)HexNAc(1)Phos(1) (T), Hex(1)HexNAc(1)Sulf(1) (S), Hex(1)HexNAc(1)Sulf(1) (T), Hex(1)HexNAc(2) (N), Hex(1)HexNAc(2) (S), Hex(1)HexNAc(2) (T), Hex(1)HexNAc(2)dHex(1) (N), Hex(1)HexNAc(2)dHex(1) (S), Hex(1)HexNAc(2)dHex(1) (T), Hex(1)HexNAc(2)dHex(1)Pent(1) (N), Hex(1)HexNAc(2)dHex(2) (N), Hex(1)HexNAc(2)dHex(2) (S), Hex(1)HexNAc(2)dHex(2) (T), Hex(1)HexNAc(2)dHex(2)Sulf(1) (S), Hex(1)HexNAc(2)dHex(2)Sulf(1) (T), Hex(1)HexNAc(2)NeuAc(1) (S), Hex(1)HexNAc(2)NeuAc(1) (T), Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (S), Hex(1)HexNAc(2)NeuAc(1)Sulf(1) (T), Hex(1)HexNAc(2)NeuAc(2) (S), Hex(1)HexNAc(2)NeuAc(2) (T), Hex(1)HexNAc(2)NeuAc(2)Sulf(1) (S), Hex(1)HexNAc(2)NeuAc(2)Sulf(1) (T), Hex(1)HexNAc(2)NeuGc(1) (S), Hex(1)HexNAc(2)NeuGc(1) (T), Hex(1)HexNAc(2)Pent(1) (N), Hex(1)HexNAc(2)Sulf(1) (S), Hex(1)HexNAc(2)Sulf(1) (T), Hex(1)HexNAc(3) (S), Hex(1)HexNAc(3) (T), Hex(1)HexNAc(3)NeuAc(1) (S), Hex(1)HexNAc(3)NeuAc(1) (T), Hex(1)HexNAc(3)NeuAc(2) (S), Hex(1)HexNAc(3)NeuAc(2) (T), Hex(1)HexNAc(3)NeuGc(1) (S), Hex(1)HexNAc(3)NeuGc(1) (T), Hex(1)HexNAc(3)Sulf(1) (S), Hex(1)HexNAc(3)Sulf(1) (T), Hex(1)HexNAc(4)dHex(1)Sulf(1) (S), Hex(1)HexNAc(4)dHex(1)Sulf(1) (T), Hex(1)NeuAc(1) (S), Hex(1)NeuAc(1) (T), Hex(1)NeuAc(1)Pent(1) (S), Hex(1)NeuAc(1)Pent(1) (T), Hex(1)NeuGc(1) (S), Hex(1)NeuGc(1) (T), Hex(1)Pent(1) (S), Hex(1)Pent(1) (T), Hex(1)Pent(2) (S), Hex(1)Pent(2) (T), Hex(1)Pent(2)Me(1) (S), Hex(1)Pent(2)Me(1) (T), Hex(1)Pent(3) (S), Hex(1)Pent(3) (T), Hex(1)Pent(3)Me(1) (S), Hex(1)Pent(3)Me(1) (T), Hex(10)HexNAc(1) (N), Hex(10)Phos(3) (S), Hex(10)Phos(3) (T), Hex(2) (K), Hex(2) (R), Hex(2) (S), Hex(2) (T), Hex(2)HexA(1)HexNAc(1)Sulf(1) (S), Hex(2)HexA(1)HexNAc(1)Sulf(1) (T), Hex(2)HexA(1)NeuAc(1)Pent(1)Sulf(1) (S), Hex(2)HexA(1)NeuAc(1)Pent(1)Sulf(1) (T), Hex(2)HexA(1)Pent(1)Sulf(1) (S), Hex(2)HexA(1)Pent(1)Sulf(1) (T), Hex(2)HexNAc(1) (N), Hex(2)HexNAc(1) (S), Hex(2)HexNAc(1) (T), Hex(2)HexNAc(1)Me(1) (S), Hex(2)HexNAc(1)Me(1) (T), Hex(2)HexNAc(1)NeuGc(1) (S), Hex(2)HexNAc(1)NeuGc(1) (T), Hex(2)HexNAc(1)NeuGc(2) (S), Hex(2)HexNAc(1)NeuGc(2) (T), Hex(2)HexNAc(1)NeuGc(3) (S), Hex(2)HexNAc(1)NeuGc(3) (T), Hex(2)HexNAc(1)NeuGc(4) (S), Hex(2)HexNAc(1)NeuGc(4) (T), Hex(2)HexNAc(1)Pent(1)HexA(1) (S), Hex(2)HexNAc(1)Pent(1)HexA(1) (T), Hex(2)HexNAc(1)Sulf(1) (S), Hex(2)HexNAc(1)Sulf(1) (T), Hex(2)HexNAc(2) (N), Hex(2)HexNAc(2) (S), Hex(2)HexNAc(2) (T), Hex(2)HexNAc(2)dHex(1) (N), Hex(2)HexNAc(2)dHex(1) (S), Hex(2)HexNAc(2)dHex(1) (T), Hex(2)HexNAc(2)NeuAc(1) (N), Hex(2)HexNAc(2)NeuAc(1) (S), Hex(2)HexNAc(2)NeuAc(1) (T), Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (S), Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (T), Hex(2)HexNAc(2)NeuAc(2) (S), Hex(2)HexNAc(2)NeuAc(2) (T), Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (S), Hex(2)HexNAc(2)NeuAc(2)Sulf(1) (T), Hex(2)HexNAc(2)NeuGc(1) (S), Hex(2)HexNAc(2)NeuGc(1) (T), Hex(2)HexNAc(2)Pent(1) (N), Hex(2)HexNAc(2)Sulf(1) (S), Hex(2)HexNAc(2)Sulf(1) (T), Hex(2)HexNAc(3) (N), Hex(2)HexNAc(3) (S), Hex(2)HexNAc(3) (T), Hex(2)HexNAc(3)NeuAc(1)NeuGc(1) (S), Hex(2)HexNAc(3)NeuAc(1)NeuGc(1) (T), Hex(2)HexNAc(3)NeuAc(1)Sulf(1) (S), Hex(2)HexNAc(3)NeuAc(1)Sulf(1) (T), Hex(2)HexNAc(3)NeuAc(2) (S), Hex(2)HexNAc(3)NeuAc(2) (T), Hex(2)HexNAc(3)NeuAc(3) (S), Hex(2)HexNAc(3)NeuAc(3) (T), Hex(2)HexNAc(3)NeuGc(1) (S), Hex(2)HexNAc(3)NeuGc(1) (T), Hex(2)HexNAc(3)NeuGc(2) (S), Hex(2)HexNAc(3)NeuGc(2) (T), Hex(2)HexNAc(3)NeuGc(3) (S), Hex(2)HexNAc(3)NeuGc(3) (T), Hex(2)HexNAc(3)Sulf(1) (S), Hex(2)HexNAc(3)Sulf(1) (T), Hex(2)HexNAc(4) (N), Hex(2)HexNAc(4) (S), Hex(2)HexNAc(4) (T), Hex(2)HexNAc(4)NeuAc(1) (S), Hex(2)HexNAc(4)NeuAc(1) (T), Hex(2)HexNAc(5) (S), Hex(2)HexNAc(5) (T), Hex(2)NeuAc(1) (S), Hex(2)NeuAc(1) (T), Hex(2)Pent(2) (S), Hex(2)Pent(2) (T), Hex(2)Pent(2)Me(1) (S), Hex(2)Pent(2)Me(1) (T), Hex(2)Sulf(1) (S), Hex(2)Sulf(1) (T), Hex(3) (N), Hex(3) (S), Hex(3) (T), Hex(3)HexNAc(1) (N), Hex(3)HexNAc(1) (S), Hex(3)HexNAc(1) (T), Hex(3)HexNAc(1)HexA(1) (S), Hex(3)HexNAc(1)HexA(1) (T), Hex(3)HexNAc(1)Me(1) (S), Hex(3)HexNAc(1)Me(1) (T), Hex(3)HexNAc(1)Pent(1) (N), Hex(3)HexNAc(2) (N), Hex(3)HexNAc(2) (S), Hex(3)HexNAc(2) (T), Hex(3)HexNAc(2)NeuAc(1) (N), Hex(3)HexNAc(2)NeuAc(2) (S), Hex(3)HexNAc(2)NeuAc(2) (T), Hex(3)HexNAc(2)Pent(1) (N), Hex(3)HexNAc(2)Phos(1) (N), Hex(3)HexNAc(3) (N), Hex(3)HexNAc(3) (S), Hex(3)HexNAc(3) (T), Hex(3)HexNAc(3)NeuAc(1) (S), Hex(3)HexNAc(3)NeuAc(1) (T), Hex(3)HexNAc(3)NeuAc(1)Sulf(1) (S), Hex(3)HexNAc(3)NeuAc(1)Sulf(1) (T), Hex(3)HexNAc(3)NeuAc(2) (S), Hex(3)HexNAc(3)NeuAc(2) (T), Hex(3)HexNAc(3)NeuAc(2)Sulf(1) (S), Hex(3)HexNAc(3)NeuAc(2)Sulf(1) (T), Hex(3)HexNAc(3)NeuAc(3) (S), Hex(3)HexNAc(3)NeuAc(3) (T), Hex(3)HexNAc(3)NeuGc(1) (S), Hex(3)HexNAc(3)NeuGc(1) (T), Hex(3)HexNAc(3)NeuGc(1)Sulf(1) (S), Hex(3)HexNAc(3)NeuGc(1)Sulf(1) (T), Hex(3)HexNAc(3)Pent(1) (N), Hex(3)HexNAc(3)Sulf(1) (N), Hex(3)HexNAc(3)Sulf(1) (S), Hex(3)HexNAc(3)Sulf(1) (T), Hex(3)HexNAc(4) (N), Hex(3)HexNAc(4) (S), Hex(3)HexNAc(4) (T), Hex(3)HexNAc(4)NeuAc(1) (N), Hex(3)HexNAc(4)NeuAc(2) (N), Hex(3)HexNAc(4)Pent(1) (N), Hex(3)HexNAc(4)Sulf(1) (N), Hex(3)HexNAc(5) (N), Hex(3)HexNAc(5) (S), Hex(3)HexNAc(5) (T), Hex(3)HexNAc(5)NeuAc(1) (N), Hex(3)HexNAc(5)Sulf(1) (N), Hex(3)HexNAc(6) (N), Hex(3)HexNAc(6) (S), Hex(3)HexNAc(6) (T), Hex(3)HexNAc(6)NeuAc(1) (N), Hex(3)HexNAc(6)Sulf(1) (N), Hex(3)HexNAc(6)Sulf(2) (N), Hex(3)HexNAc(7) (N), Hex(3)HexNAc(7)Sulf(1) (N), Hex(4) (S), Hex(4) (T), Hex(4)HexA(1) (S), Hex(4)HexA(1) (T), Hex(4)HexA(1)HexNAc(1) (S), Hex(4)HexA(1)HexNAc(1) (T), Hex(4)HexNAc(1) (N), Hex(4)HexNAc(1) (S), Hex(4)HexNAc(1) (T), Hex(4)HexNAc(2) (N), Hex(4)HexNAc(2)NeuAc(1) (N), Hex(4)HexNAc(2)NeuAc(1) (S), Hex(4)HexNAc(2)NeuAc(1) (T), Hex(4)HexNAc(2)Pent(1) (N), Hex(4)HexNAc(3) (N), Hex(4)HexNAc(3) (S), Hex(4)HexNAc(3) (T), Hex(4)HexNAc(3)NeuAc(1) (N), Hex(4)HexNAc(3)NeuAc(1) (S), Hex(4)HexNAc(3)NeuAc(1) (T), Hex(4)HexNAc(3)NeuAc(2) (N), Hex(4)HexNAc(3)NeuGc(1) (N), Hex(4)HexNAc(3)Pent(1) (N), Hex(4)HexNAc(4) (N), Hex(4)HexNAc(4) (S), Hex(4)HexNAc(4) (T), Hex(4)HexNAc(4)Me(2)Pent(1) (N), Hex(4)HexNAc(4)NeuAc(1) (N), Hex(4)HexNAc(4)NeuAc(1) (S), Hex(4)HexNAc(4)NeuAc(1) (T), Hex(4)HexNAc(4)NeuAc(1)Sulf(2) (S), Hex(4)HexNAc(4)NeuAc(1)Sulf(2) (T), Hex(4)HexNAc(4)NeuAc(1)Sulf(3) (S), Hex(4)HexNAc(4)NeuAc(1)Sulf(3) (T), Hex(4)HexNAc(4)NeuGc(1) (N), Hex(4)HexNAc(4)NeuGc(1) (S), Hex(4)HexNAc(4)NeuGc(1) (T), Hex(4)HexNAc(4)NeuGc(1)Sulf(2) (S), Hex(4)HexNAc(4)NeuGc(1)Sulf(2) (T), Hex(4)HexNAc(4)Pent(1) (N), Hex(4)HexNAc(4)Sulf(1) (N), Hex(4)HexNAc(4)Sulf(2) (S), Hex(4)HexNAc(4)Sulf(2) (T), Hex(4)HexNAc(5) (N), Hex(4)HexNAc(5)NeuAc(1) (N), Hex(4)HexNAc(5)Sulf(1) (N), Hex(4)HexNAc(6) (N), Hex(4)Phos(1) (S), Hex(4)Phos(1) (T), Hex(5) (S), Hex(5) (T), Hex(5)HexA(1) (S), Hex(5)HexA(1) (T), Hex(5)HexNAc(1) (N), Hex(5)HexNAc(1) (S), Hex(5)HexNAc(1) (T), Hex(5)HexNAc(2) (N), Hex(5)HexNAc(2)Phos(1) (N), Hex(5)HexNAc(3) (N), Hex(5)HexNAc(3)Pent(1) (N), Hex(5)HexNAc(4) (N), Hex(5)HexNAc(4) (S), Hex(5)HexNAc(4) (T), Hex(5)HexNAc(4)Me(2)Pent(1) (N), Hex(5)HexNAc(4)NeuAc(1) (N), Hex(5)HexNAc(4)NeuAc(1)Ac(1) (N), Hex(5)HexNAc(4)NeuAc(1)Ac(2) (N), Hex(5)HexNAc(4)NeuAc(1)Sulf(1) (N), Hex(5)HexNAc(4)NeuAc(2) (N), Hex(5)HexNAc(4)NeuGc(1) (N), Hex(5)HexNAc(4)Sulf(1) (N), Hex(5)HexNAc(5) (N), Hex(5)HexNAc(5) (S), Hex(5)HexNAc(5) (T), Hex(5)Phos(1) (S), Hex(5)Phos(1) (T), Hex(5)Phos(3) (S), Hex(5)Phos(3) (T), Hex(6)HexNAc(1) (N), Hex(6)HexNAc(2) (N), Hex(6)HexNAc(2)Phos(1) (N), Hex(6)HexNAc(3) (N), Hex(6)HexNAc(3)Phos(1) (N), Hex(6)HexNAc(4) (N), Hex(6)HexNAc(4) (S), Hex(6)HexNAc(4) (T), Hex(6)HexNAc(4)Me(3) (N), Hex(6)HexNAc(4)Me(3)Pent(1) (N), Hex(6)HexNAc(5) (N), Hex(6)HexNAc(5)NeuAc(3) (N), Hex(6)Phos(1) (S), Hex(6)Phos(1) (T), Hex(6)Phos(3) (S), Hex(6)Phos(3) (T), Hex(7)HexNAc(1) (N), Hex(7)HexNAc(2) (N), Hex(7)HexNAc(2)Phos(1) (N), Hex(7)HexNAc(2)Phos(2) (N), Hex(7)HexNAc(3) (N), Hex(7)HexNAc(3)Phos(1) (N), Hex(7)HexNAc(4) (N), Hex(7)HexNAc(6) (N), Hex(7)HexNAc(6) (S), Hex(7)HexNAc(6) (T), Hex(7)Phos(3) (S), Hex(7)Phos(3) (T), Hex(8)HexNAc(1) (N), Hex(8)HexNAc(2) (N), Hex(8)Phos(3) (S), Hex(8)Phos(3) (T), Hex(9) (N), Hex(9)HexNAc(1) (N), Hex(9)HexNAc(2) (N), Hex(9)Phos(3) (S), Hex(9)Phos(3) (T), HexA(2)HexNAc(3) (S), HexA(2)HexNAc(3) (T), Hexanoyl (K), HexN (K), HexN (N), HexN (S), HexN (T), HexN (W), HexNAc (C), HexNAc (N), HexNAc (S), HexNAc (T), HexNAc(1)dHex(1) (N), HexNAc(1)dHex(1) (S), HexNAc(1)dHex(1) (T), HexNAc(1)dHex(2) (N), HexNAc(1)Kdn(2) (S), HexNAc(1)Kdn(2) (T), HexNAc(1)NeuAc(1) (S), HexNAc(1)NeuAc(1) (T), HexNAc(1)NeuGc(1) (S), HexNAc(1)NeuGc(1) (T), HexNAc(1)NeuGc(2) (S), HexNAc(1)NeuGc(2) (T), HexNAc(2) (N), HexNAc(2) (S), HexNAc(2) (T), HexNAc(2)dHex(1) (N), HexNAc(2)dHex(2) (N), HexNAc(2)NeuAc(1) (S), HexNAc(2)NeuAc(1) (T), HexNAc(2)NeuAc(1)Sulf(1) (S), HexNAc(2)NeuAc(1)Sulf(1) (T), HexNAc(2)NeuGc(1) (S), HexNAc(2)NeuGc(1) (T), HexNAc(2)Sulf(1) (S), HexNAc(2)Sulf(1) (T), HexNAc(3) (S), HexNAc(3) (T), HexNAc(3)Sulf(1) (S), HexNAc(3)Sulf(1) (T), HexNAc(4) (S), HexNAc(4) (T), HexNAc(5) (S), HexNAc(5) (T), His+O(2) (H), His->Ala (H), His->Arg (H), His->Asn (H), His->Asp (H), His->Cys (H), His->Gln (H), His->Glu (H), His->Gly (H), His->Lys (H), His->Met (H), His->Phe (H), His->Pro (H), His->Ser (H), His->Thr (H), His->Trp (H), His->Tyr (H), His->Val (H), His->Xle (H), HMVK (C), HN2_mustard (C), HN2_mustard (H), HN2_mustard (K), HN3_mustard (C), HN3_mustard (H), HN3_mustard (K), HNE (A), HNE (C), HNE (H), HNE (K), HNE (L), HNE (R), HNE+Delta:H(2) (C), HNE+Delta:H(2) (H), HNE+Delta:H(2) (K), HNE-BAHAH (C), HNE-BAHAH (H), HNE-BAHAH (K), HNE-Delta:H(2)O (C), HNE-Delta:H(2)O (H), HNE-Delta:H(2)O (K), Homocysteic_acid (M), HPG (R), Hydroxamic_acid (D), Hydroxamic_acid (E), Hydroxycinnamyl (C), Hydroxyfarnesyl (C), Hydroxyheme (E), hydroxyisobutyryl (K), Hydroxymethyl (N), HydroxymethylOP (K), Hydroxytrimethyl (K), Hypusine (K), IASD (C), IBTP (C), ICAT-C (C), ICAT-C:13C(9) (C), ICAT-D (C), ICAT-D:2H(8) (C), ICAT-G (C), ICAT-G:2H(8) (C), ICAT-H (C), ICAT-H:13C(6) (C), ICDID (C), ICDID:2H(6) (C), ICPL (K), ICPL (N-term), ICPL (Protein N-term), ICPL:13C(6) (K), ICPL:13C(6) (N-term), ICPL:13C(6) (Protein N-term), ICPL:13C(6)2H(4) (K), ICPL:13C(6)2H(4) (N-term), ICPL:13C(6)2H(4) (Protein N-term), ICPL:2H(4) (K), ICPL:2H(4) (N-term), ICPL:2H(4) (Protein N-term), IDEnT (C), IED-Biotin (C), IGBP (C), IGBP:13C(2) (C), IMEHex(2)NeuAc(1) (K), IMID (K), IMID:2H(4) (K), Iminobiotin (K), Iminobiotin (N-term), Iodo (H), Iodo (Y), Iodoacetanilide (C), Iodoacetanilide (K), Iodoacetanilide (N-term), Iodoacetanilide:13C(6) (C), Iodoacetanilide:13C(6) (K), Iodoacetanilide:13C(6) (N-term), iodoTMT (C), iodoTMT (D), iodoTMT (E), iodoTMT (H), iodoTMT (K), iodoTMT6plex (C), iodoTMT6plex (D), iodoTMT6plex (E), iodoTMT6plex (H), iodoTMT6plex (K), IodoU-AMP (F), IodoU-AMP (W), IodoU-AMP (Y), ISD_z+2_ion (N-term), Isopropylphospho (S), Isopropylphospho (T), Isopropylphospho (Y), Isovaleryl (K), iST-NHS specific cysteine modification (C), Itaconatyl (C), Itaconyl (K), iTRAQ4plex (C), iTRAQ4plex (H), iTRAQ4plex (K), iTRAQ4plex (N-term), iTRAQ4plex (Protein N-term), iTRAQ4plex (S), iTRAQ4plex (T), iTRAQ4plex (Y), iTRAQ4plex114 (C), iTRAQ4plex114 (K), iTRAQ4plex114 (N-term), iTRAQ4plex114 (Y), iTRAQ4plex115 (C), iTRAQ4plex115 (K), iTRAQ4plex115 (N-term), iTRAQ4plex115 (Y), iTRAQ8plex (C), iTRAQ8plex (H), iTRAQ8plex (K), iTRAQ8plex (N-term), iTRAQ8plex (Protein N-term), iTRAQ8plex (S), iTRAQ8plex (T), iTRAQ8plex (Y), iTRAQ8plex:13C(6)15N(2) (C), iTRAQ8plex:13C(6)15N(2) (K), iTRAQ8plex:13C(6)15N(2) (N-term), iTRAQ8plex:13C(6)15N(2) (Y), L-Gln (D), L-Gln (E), Label:13C(1)2H(3) (M), Label:13C(1)2H(3)+Oxidation (M), Label:13C(2)15N(1) (G), Label:13C(2)15N(2) (K), Label:13C(3) (A), Label:13C(3)15N(1) (A), Label:13C(3)15N(1) (S), Label:13C(4) (M), Label:13C(4)+Oxidation (M), Label:13C(4)15N(1) (D), Label:13C(4)15N(2)+GG (K), Label:13C(5) (P), Label:13C(5)15N(1) (E), Label:13C(5)15N(1) (M), Label:13C(5)15N(1) (P), Label:13C(5)15N(1) (V), Label:13C(6) (I), Label:13C(6) (K), Label:13C(6) (L), Label:13C(6) (R), Label:13C(6)+Acetyl (K), Label:13C(6)+Dimethyl (K), Label:13C(6)+GG (K), Label:13C(6)15N(1) (I), Label:13C(6)15N(1) (L), Label:13C(6)15N(2) (K), Label:13C(6)15N(2)+Acetyl (K), Label:13C(6)15N(2)+Dimethyl (K), Label:13C(6)15N(2)+GG (K), Label:13C(6)15N(2)+TMT6plex (K), Label:13C(6)15N(2)+TMTpro (K), Label:13C(6)15N(4) (R), Label:13C(6)15N(4)+Dimethyl (R), Label:13C(6)15N(4)+Dimethyl:2H(6)13C(2) (R), Label:13C(6)15N(4)+Methyl (R), Label:13C(6)15N(4)+Methyl:2H(3)13C(1) (R), Label:13C(9) (F), Label:13C(9) (Y), Label:13C(9)+Phospho (Y), Label:13C(9)15N(1) (F), Label:15N(1) (A), Label:15N(1) (C), Label:15N(1) (D), Label:15N(1) (E), Label:15N(1) (F), Label:15N(1) (G), Label:15N(1) (I), Label:15N(1) (L), Label:15N(1) (M), Label:15N(1) (P), Label:15N(1) (S), Label:15N(1) (T), Label:15N(1) (V), Label:15N(1) (Y), Label:15N(2) (K), Label:15N(2) (N), Label:15N(2) (Q), Label:15N(2) (W), Label:15N(2)2H(9) (K), Label:15N(3) (H), Label:15N(4) (R), Label:18O(1) (C-term), Label:18O(1) (S), Label:18O(1) (T), Label:18O(1) (Y), Label:18O(2) (C-term), Label:2H(10) (L), Label:2H(3) (L), Label:2H(3) (M), Label:2H(3)+Oxidation (M), Label:2H(4) (A), Label:2H(4) (F), Label:2H(4) (K), Label:2H(4) (U), Label:2H(4) (Y), Label:2H(4)+Acetyl (K), Label:2H(4)+GG (K), Label:2H(4)13C(1) (R), Label:2H(6)15N(1) (P), Label:2H(7)15N(4) (R), Label:2H(9)13C(6)15N(2) (K), Lactylation (K), lapachenole (C), Leu->MetOx (L), LG-anhydrolactam (K), LG-anhydrolactam (N-term), LG-anhyropyrrole (K), LG-anhyropyrrole (N-term), LG-Hlactam-K (K), LG-Hlactam-K (Protein N-term), LG-Hlactam-R (R), LG-lactam-K (K), LG-lactam-K (Protein N-term), LG-lactam-R (R), LG-pyrrole (C), LG-pyrrole (K), LG-pyrrole (N-term), Lipoyl (K), LRGG (K), LRGG+dimethyl (K), LRGG+methyl (K), LTX+Lophotoxin (Y), Lys (N-term), Lys+O(2) (H), Lys->Ala (K), Lys->Allysine (K), Lys->AminoadipicAcid (K), Lys->Arg (K), Lys->Asn (K), Lys->Asp (K), Lys->CamCys (K), Lys->Cys (K), Lys->Gln (K), Lys->Glu (K), Lys->Gly (K), Lys->His (K), Lys->Met (K), Lys->MetOx (K), Lys->Phe (K), Lys->Pro (K), Lys->Ser (K), Lys->Thr (K), Lys->Trp (K), Lys->Tyr (K), Lys->Val (K), Lys->Xle (K), Lys-loss (K), Lys-loss (Protein C-term K), Lysbiotinhydrazide (K), maleimide (C), maleimide (K), Maleimide-PEO2-Biotin (C), maleimide3 (C), maleimide3 (K), maleimide5 (C), maleimide5 (K), Malonyl (C), Malonyl (K), Malonyl (S), MBS+peptide (C), MDCC (C), MeMePhosphorothioate (S), Menadione (C), Menadione (K), Menadione-HQ (C), Menadione-HQ (K), MercaptoEthanol (S), MercaptoEthanol (T), MesitylOxide (H), MesitylOxide (K), MesitylOxide (Protein N-term), Met+O(2) (H), Met->Aha (M), Met->Ala (M), Met->Arg (M), Met->Asn (M), Met->Asp (M), Met->AspSA (M), Met->Cys (M), Met->Gln (M), Met->Glu (M), Met->Gly (M), Met->His (M), Met->Hpg (M), Met->Hse (C-term M), Met->Hsl (C-term M), Met->Lys (M), Met->Phe (M), Met->Pro (M), Met->Ser (M), Met->Thr (M), Met->Trp (M), Met->Tyr (M), Met->Val (M), Met->Xle (M), Met-loss (Protein N-term M), Met-loss+Acetyl (Protein N-term M), Methamidophos-O (C), Methamidophos-O (H), Methamidophos-O (K), Methamidophos-O (S), Methamidophos-O (T), Methamidophos-O (Y), Methamidophos-S (C), Methamidophos-S (H), Methamidophos-S (K), Methamidophos-S (S), Methamidophos-S (T), Methamidophos-S (Y), Methyl (C), Methyl (C-term), Methyl (D), Methyl (E), Methyl (H), Methyl (I), Methyl (K), Methyl (L), Methyl (N), Methyl (N-term), Methyl (Protein N-term), Methyl (Q), Methyl (R), Methyl (S), Methyl (T), Methyl+Acetyl:2H(3) (K), Methyl+Deamidated (N), Methyl+Deamidated (Q), Methyl-PEO12-Maleimide (C), Methyl:2H(2) (K), Methyl:2H(2) (N-term), Methyl:2H(2)13C (C), Methyl:2H(2)13C (C-term), Methyl:2H(2)13C (D), Methyl:2H(2)13C (E), Methyl:2H(2)13C (H), Methyl:2H(2)13C (I), Methyl:2H(2)13C (K), Methyl:2H(2)13C (L), Methyl:2H(2)13C (N), Methyl:2H(2)13C (N-term), Methyl:2H(2)13C (Protein N-term), Methyl:2H(2)13C (Q), Methyl:2H(2)13C (R), Methyl:2H(2)13C (S), Methyl:2H(2)13C (T), Methyl:2H(3) (D), Methyl:2H(3) (E), Methyl:2H(3) (K), Methyl:2H(3) (R), Methyl:2H(3) (X), Methyl:2H(3)+Acetyl:2H(3) (K), Methyl:2H(3)13C(1) (K), Methyl:2H(3)13C(1) (N-term), Methyl:2H(3)13C(1) (R), Methylamine (S), Methylamine (T), Methylmalonylation (S), methylol (K), methylol (W), methylol (Y), Methylphosphonate (S), Methylphosphonate (T), Methylphosphonate (Y), Methylpyrroline (K), methylsulfonylethyl (C), methylsulfonylethyl (H), methylsulfonylethyl (K), Methylthio (C), Methylthio (D), Methylthio (K), Methylthio (N), Methylthio (N-term), MG-H1 (R), Microcin (Protein C-term), MicrocinC7 (Protein C-term), MM-diphenylpentanone (C), Molybdopterin (C), MolybdopterinGD (C), MolybdopterinGD (D), MolybdopterinGD (U), MolybdopterinGD+Delta:S(-1)Se(1) (C), Mono_Ngamma-propargyl-L-Gln_desthiobiotin (C), monomethylphosphothione (C), monomethylphosphothione (H), monomethylphosphothione (K), monomethylphosphothione (S), monomethylphosphothione (T), monomethylphosphothione (Y), mTRAQ (H), mTRAQ (K), mTRAQ (N-term), mTRAQ (S), mTRAQ (T), mTRAQ (Y), mTRAQ:13C(3)15N(1) (H), mTRAQ:13C(3)15N(1) (K), mTRAQ:13C(3)15N(1) (N-term), mTRAQ:13C(3)15N(1) (S), mTRAQ:13C(3)15N(1) (T), mTRAQ:13C(3)15N(1) (Y), mTRAQ:13C(6)15N(2) (H), mTRAQ:13C(6)15N(2) (K), mTRAQ:13C(6)15N(2) (N-term), mTRAQ:13C(6)15N(2) (S), mTRAQ:13C(6)15N(2) (T), mTRAQ:13C(6)15N(2) (Y), MTSL (C), MurNAc (A), Myristoleyl (Protein N-term G), Myristoyl (C), Myristoyl (K), Myristoyl (N-term G), Myristoyl+Delta:H(-4) (Protein N-term G), N-dimethylphosphate (S), N6pAMP (S), N6pAMP (T), N6pAMP (Y), NA-LNO2 (C), NA-LNO2 (H), NA-OA-NO2 (C), NA-OA-NO2 (H), NBF (C), NBF (K), NBF (R), NBS (W), NBS:13C(6) (W), NDA (K), NDA (N-term), NEIAA (C), NEIAA (Y), NEIAA:2H(5) (C), NEIAA:2H(5) (Y), NEM:2H(5) (C), NEM:2H(5)+H2O (C), NEMsulfur (C), NEMsulfurWater (C), Nethylmaleimide (C), Nethylmaleimide+water (C), Nethylmaleimide+water (K), NeuAc (N), NeuAc (S), NeuAc (T), NeuGc (N), NeuGc (S), NeuGc (T), NHS-fluorescein (K), NHS-LC-Biotin (K), NHS-LC-Biotin (N-term), NIC (K), NIC (N-term), NIPCAM (C), Nitrene (Y), Nitro (F), Nitro (W), Nitro (Y), Nitrosyl (C), Nitrosyl (Y), Nmethylmaleimide (C), Nmethylmaleimide (K), Nmethylmaleimide+water (C), NO_SMX_SEMD (C), NO_SMX_SIMD (C), NP40 (N-term), NQIGG (K), NQTGG (K), O-Dimethylphosphate (S), O-Dimethylphosphate (T), O-Dimethylphosphate (Y), O-Et-N-diMePhospho (S), O-Isopropylmethylphosphonate (S), O-Isopropylmethylphosphonate (T), O-Isopropylmethylphosphonate (Y), O-Methylphosphate (S), O-Methylphosphate (T), O-Methylphosphate (Y), O-pinacolylmethylphosphonate (H), O-pinacolylmethylphosphonate (K), O-pinacolylmethylphosphonate (S), O-pinacolylmethylphosphonate (T), O-pinacolylmethylphosphonate (Y), Octanoyl (C), Octanoyl (S), Octanoyl (T), OxArgBiotin (R), OxArgBiotinRed (R), Oxidation (C), Oxidation (C-term G), Oxidation (D), Oxidation (E), Oxidation (F), Oxidation (H), Oxidation (I), Oxidation (K), Oxidation (L), Oxidation (M), Oxidation (N), Oxidation (P), Oxidation (Q), Oxidation (R), Oxidation (S), Oxidation (T), Oxidation (U), Oxidation (V), Oxidation (W), Oxidation (Y), Oxidation+NEM (C), OxLysBiotin (K), OxLysBiotinRed (K), OxProBiotin (P), OxProBiotinRed (P), Palmitoleyl (C), Palmitoleyl (S), Palmitoleyl (T), Palmitoyl (C), Palmitoyl (K), Palmitoyl (Protein N-term), Palmitoyl (S), Palmitoyl (T), PEITC (C), PEITC (K), PEITC (N-term), Pent(1)HexNAc(1) (S), Pent(1)HexNAc(1) (T), Pent(2) (S), Pent(2) (T), Pentanoyl (K), Pentose (S), Pentose (T), Pentylamine (Q), PEO-Iodoacetyl-LC-Biotin (C), PET (S), PET (T), Phe->Ala (F), Phe->Arg (F), Phe->Asn (F), Phe->Asp (F), Phe->CamCys (F), Phe->Cys (F), Phe->Gln (F), Phe->Glu (F), Phe->Gly (F), Phe->His (F), Phe->Lys (F), Phe->Met (F), Phe->Pro (F), Phe->Ser (F), Phe->Thr (F), Phe->Trp (F), Phe->Tyr (F), Phe->Val (F), Phe->Xle (F), phenyl-phosphate (K), phenyl-phosphate (S), phenyl-phosphate (T), phenyl-phosphate (Y), Phenylisocyanate (N-term), Phenylisocyanate:2H(5) (N-term), phenylsulfonylethyl (C), Phospho (C), Phospho (D), Phospho (E), Phospho (H), Phospho (K), Phospho (R), Phospho (S), Phospho (T), Phospho (Y), Phosphoadenosine (H), Phosphoadenosine (K), Phosphoadenosine (S), Phosphoadenosine (T), Phosphoadenosine (Y), PhosphoCytidine (S), PhosphoCytidine (T), PhosphoCytidine (Y), PhosphoDecoy (A), PhosphoDecoy (G), PhosphoDecoy (L), Phosphogluconoylation (K), Phosphogluconoylation (N-term), Phosphoguanosine (H), Phosphoguanosine (K), PhosphoHex (S), PhosphoHex (T), PhosphoHex(2) (N), PhosphoHex(2) (S), PhosphoHex(2) (T), PhosphoHexNAc (S), PhosphoHexNAc (T), Phosphopantetheine (S), Phosphopropargyl (S), Phosphopropargyl (T), Phosphopropargyl (Y), phosphoRibosyl (D), phosphoRibosyl (E), phosphoRibosyl (R), PhosphoribosyldephosphoCoA (S), PhosphoUridine (H), PhosphoUridine (Y), Phycocyanobilin (C), Phycoerythrobilin (C), Phytochromobilin (C), Piperidine (K), Piperidine (N-term), pRBS-ID_4-thiouridine (F), pRBS-ID_6-thioguanosine (W), Pro+O(2) (H), Pro->Ala (P), Pro->Arg (P), Pro->Asn (P), Pro->Asp (P), Pro->Cys (P), Pro->Gln (P), Pro->Glu (P), Pro->Gly (P), Pro->HAVA (P), Pro->His (P), Pro->Lys (P), Pro->Met (P), Pro->Phe (P), Pro->pyro-Glu (P), Pro->Pyrrolidinone (P), Pro->Pyrrolidone (P), Pro->Ser (P), Pro->Thr (P), Pro->Trp (P), Pro->Tyr (P), Pro->Val (P), Pro->Xle (P), probiotinhydrazide (P), Propargylamine (C-term), Propargylamine (D), Propargylamine (E), Propionamide (C), Propionamide (K), Propionamide (N-term), Propionamide:2H(3) (C), Propionyl (K), Propionyl (N-term), Propionyl (Protein N-term), Propionyl (S), Propionyl (T), Propionyl:13C(3) (K), Propionyl:13C(3) (N-term), Propiophenone (C), Propiophenone (H), Propiophenone (K), Propiophenone (R), Propiophenone (S), Propiophenone (T), Propiophenone (W), Propyl (C-term), Propyl (D), Propyl (E), Propyl (K), Propyl (N-term), Propyl (Protein C-term), Propyl:2H(6) (K), Propyl:2H(6) (N-term), PropylNAGthiazoline (C), PS_Hapten (C), PS_Hapten (H), PS_Hapten (K), pupylation (K), Puromycin (C-term), PyMIC (N-term), PyridoxalPhosphate (K), PyridoxalPhosphateH2 (K), Pyridylacetyl (K), Pyridylacetyl (N-term), Pyridylethyl (C), Pyro-carbamidomethyl (N-term C), Pyro-QQTGG (K), pyrophospho (S), pyrophospho (T), PyruvicAcidIminyl (K), PyruvicAcidIminyl (Protein N-term C), PyruvicAcidIminyl (Protein N-term V), Pyruvoyl (K), QAT (C), QAT:2H(3) (C), QEQTGG (K), QQQTGG (K), QQTGG (K), QTGG (K), Quinone (W), Quinone (Y), RBS-ID_Uridine (Y), Retinylidene (K), RNPXL (N-term K), RNPXL (N-term R), RNPXlink1 (C), s-GlcNAc (S), s-GlcNAc (T), Saligenin (H), Saligenin (K), Ser->Ala (S), Ser->Arg (S), Ser->Asn (S), Ser->Asp (S), Ser->Cys (S), Ser->Gln (S), Ser->Glu (S), Ser->Gly (S), Ser->His (S), Ser->LacticAcid (Protein N-term S), Ser->Lys (S), Ser->Met (S), Ser->Phe (S), Ser->Pro (S), Ser->Thr (S), Ser->Trp (S), Ser->Tyr (S), Ser->Val (S), Ser->Xle (S), Ser/Thr-KDO (S), Ser/Thr-KDO (T), serotonylation (Q), shTMT (K), shTMT (N-term), shTMT (Protein N-term), shTMTpro (K), shTMTpro (N-term), shTMTpro (Protein N-term), SMA (K), SMA (N-term), spermidine (Q), spermine (Q), SPITC (K), SPITC (N-term), SPITC:13C(6) (K), SPITC:13C(6) (N-term), Succinyl (K), Succinyl (N-term), Succinyl (Protein N-term), Succinyl:13C(4) (K), Succinyl:13C(4) (N-term), Succinyl:2H(4) (K), Succinyl:2H(4) (N-term), SulfanilicAcid (C-term), SulfanilicAcid (D), SulfanilicAcid (E), SulfanilicAcid:13C(6) (C-term), SulfanilicAcid:13C(6) (D), SulfanilicAcid:13C(6) (E), Sulfide (C), Sulfide (D), Sulfide (W), Sulfo (C), Sulfo (S), Sulfo (T), Sulfo (Y), sulfo+amino (Y), Sulfo-NHS-LC-LC-Biotin (K), Sulfo-NHS-LC-LC-Biotin (N-term), SulfoGMBS (C), SulfurDioxide (C), SUMO2135 (K), SUMO3549 (K), TAMRA-FP (S), TAMRA-FP (Y), Thiadiazole (C), Thiazolidine (C), Thiazolidine (F), Thiazolidine (H), Thiazolidine (K), Thiazolidine (Protein N-term), Thiazolidine (R), Thiazolidine (W), Thiazolidine (Y), thioacylPA (K), Thiophos-S-S-biotin (S), Thiophos-S-S-biotin (T), Thiophos-S-S-biotin (Y), Thiophospho (S), Thiophospho (T), Thiophospho (Y), Thr->Ala (T), Thr->Arg (T), Thr->Asn (T), Thr->Asp (T), Thr->Cys (T), Thr->Gln (T), Thr->Glu (T), Thr->Gly (T), Thr->His (T), Thr->Lys (T), Thr->Met (T), Thr->Phe (T), Thr->Pro (T), Thr->Ser (T), Thr->Trp (T), Thr->Tyr (T), Thr->Val (T), Thr->Xle (T), Thrbiotinhydrazide (T), Thyroxine (Y), Tiglyl (K), TMAB (K), TMAB (N-term), TMAB:2H(9) (K), TMAB:2H(9) (N-term), TMPP-Ac (K), TMPP-Ac (N-term), TMPP-Ac (Y), TMPP-Ac:13C(9) (K), TMPP-Ac:13C(9) (N-term), TMPP-Ac:13C(9) (Y), TMT (H), TMT (K), TMT (N-term), TMT (Protein N-term), TMT (S), TMT (T), TMT2plex (H), TMT2plex (K), TMT2plex (N-term), TMT2plex (Protein N-term), TMT2plex (S), TMT2plex (T), TMT6plex (H), TMT6plex (K), TMT6plex (N-term), TMT6plex (Protein N-term), TMT6plex (S), TMT6plex (T), TMTpro (H), TMTpro (K), TMTpro (N-term), TMTpro (Protein N-term), TMTpro (S), TMTpro (T), TMTpro_zero (H), TMTpro_zero (K), TMTpro_zero (N-term), TMTpro_zero (Protein N-term), TMTpro_zero (S), TMTpro_zero (T), TNBS (K), TNBS (N-term), trifluoro (L), Triiodo (Y), Triiodothyronine (Y), Trimethyl (K), Trimethyl (Protein N-term A), Trimethyl (R), Trimethyl:13C(3)2H(9) (K), Trimethyl:13C(3)2H(9) (R), Trimethyl:2H(9) (K), Trimethyl:2H(9) (R), Trioxidation (C), Trioxidation (F), Trioxidation (W), Trioxidation (Y), Tripalmitate (Protein N-term C), Tris (N), Triton (C-term), Triton (N-term), Trp->Ala (W), Trp->Arg (W), Trp->Asn (W), Trp->Asp (W), Trp->Cys (W), Trp->Gln (W), Trp->Glu (W), Trp->Gly (W), Trp->His (W), Trp->Hydroxykynurenin (W), Trp->Kynurenin (W), Trp->Lys (W), Trp->Met (W), Trp->Oxolactone (W), Trp->Phe (W), Trp->Pro (W), Trp->Ser (W), Trp->Thr (W), Trp->Tyr (W), Trp->Val (W), Trp->Xle (W), Tween20 (N-term), Tween80 (C-term), Tyr->Ala (Y), Tyr->Arg (Y), Tyr->Asn (Y), Tyr->Asp (Y), Tyr->Cys (Y), Tyr->Dha (Y), Tyr->Gln (Y), Tyr->Glu (Y), Tyr->Gly (Y), Tyr->His (Y), Tyr->Lys (Y), Tyr->Met (Y), Tyr->Phe (Y), Tyr->Pro (Y), Tyr->Ser (Y), Tyr->Thr (Y), Tyr->Trp (Y), Tyr->Val (Y), Tyr->Xle (Y), Ub-Br2 (C), Ub-fluorescein (C), Ub-VME (C), UgiJoullie (D), UgiJoullie (E), UgiJoullieProGly (D), UgiJoullieProGly (E), UgiJoullieProGlyProGly (D), UgiJoullieProGlyProGly (E), Unknown:162 (C-term), Unknown:162 (D), Unknown:162 (E), Unknown:162 (N-term), Unknown:177 (C-term), Unknown:177 (D), Unknown:177 (E), Unknown:177 (N-term), Unknown:210 (C-term), Unknown:210 (D), Unknown:210 (E), Unknown:210 (N-term), Unknown:216 (C-term), Unknown:216 (D), Unknown:216 (E), Unknown:216 (N-term), Unknown:234 (C-term), Unknown:234 (D), Unknown:234 (E), Unknown:234 (N-term), Unknown:248 (C-term), Unknown:248 (D), Unknown:248 (E), Unknown:248 (N-term), Unknown:250 (C-term), Unknown:250 (D), Unknown:250 (E), Unknown:250 (N-term), Unknown:302 (C-term), Unknown:302 (D), Unknown:302 (E), Unknown:302 (N-term), Unknown:306 (C-term), Unknown:306 (D), Unknown:306 (E), Unknown:306 (N-term), Unknown:420 (C-term), Unknown:420 (N-term), Val->Ala (V), Val->Arg (V), Val->Asn (V), Val->Asp (V), Val->Cys (V), Val->Gln (V), Val->Glu (V), Val->Gly (V), Val->His (V), Val->Lys (V), Val->Met (V), Val->Phe (V), Val->Pro (V), Val->Ser (V), Val->Thr (V), Val->Trp (V), Val->Tyr (V), Val->Xle (V), ValGly (K), VFQQQTGG (K), VIEVYQEQTGG (K), Withaferin (C), Xle->Ala (I), Xle->Ala (L), Xle->Arg (I), Xle->Arg (L), Xle->Asn (I), Xle->Asn (L), Xle->Asp (I), Xle->Asp (L), Xle->Cys (I), Xle->Cys (L), Xle->Gln (I), Xle->Gln (L), Xle->Glu (I), Xle->Glu (L), Xle->Gly (I), Xle->Gly (L), Xle->His (I), Xle->His (L), Xle->Lys (I), Xle->Lys (L), Xle->Met (I), Xle->Met (L), Xle->Phe (I), Xle->Phe (L), Xle->Pro (I), Xle->Pro (L), Xle->Ser (I), Xle->Ser (L), Xle->Thr (I), Xle->Thr (L), Xle->Trp (I), Xle->Trp (L), Xle->Tyr (I), Xle->Tyr (L), Xle->Val (I), Xle->Val (L), Xlink:B10621 (C), Xlink:BMOE (C), Xlink:BS2G[113] (K), Xlink:BS2G[113] (Protein N-term), Xlink:BS2G[114] (K), Xlink:BS2G[114] (Protein N-term), Xlink:BS2G[217] (K), Xlink:BS2G[217] (Protein N-term), Xlink:BS2G[96] (K), Xlink:BS2G[96] (Protein N-term), Xlink:BuUrBu[111] (K), Xlink:BuUrBu[111] (Protein N-term), Xlink:BuUrBu[111] (S), Xlink:BuUrBu[111] (T), Xlink:BuUrBu[111] (Y), Xlink:BuUrBu[196] (K), Xlink:BuUrBu[196] (Protein N-term), Xlink:BuUrBu[196] (S), Xlink:BuUrBu[196] (T), Xlink:BuUrBu[196] (Y), Xlink:BuUrBu[213] (K), Xlink:BuUrBu[213] (Protein N-term), Xlink:BuUrBu[213] (S), Xlink:BuUrBu[213] (T), Xlink:BuUrBu[213] (Y), Xlink:BuUrBu[214] (K), Xlink:BuUrBu[214] (Protein N-term), Xlink:BuUrBu[214] (S), Xlink:BuUrBu[214] (T), Xlink:BuUrBu[214] (Y), Xlink:BuUrBu[317] (K), Xlink:BuUrBu[317] (Protein N-term), Xlink:BuUrBu[317] (S), Xlink:BuUrBu[317] (T), Xlink:BuUrBu[317] (Y), Xlink:BuUrBu[85] (K), Xlink:BuUrBu[85] (Protein N-term), Xlink:BuUrBu[85] (S), Xlink:BuUrBu[85] (T), Xlink:BuUrBu[85] (Y), Xlink:DFDNB (K), Xlink:DFDNB (N), Xlink:DFDNB (Q), Xlink:DFDNB (R), Xlink:DMP[122] (K), Xlink:DMP[122] (Protein N-term), Xlink:DMP[139] (K), Xlink:DMP[139] (Protein N-term), Xlink:DMP[140] (K), Xlink:DMP[140] (Protein N-term), Xlink:DMP[154] (K), Xlink:DMP[154] (Protein N-term), Xlink:DSPP[210] (K), Xlink:DSPP[210] (Protein N-term), Xlink:DSPP[226] (K), Xlink:DSPP[226] (Protein N-term), Xlink:DSPP[228] (K), Xlink:DSPP[228] (Protein N-term), Xlink:DSPP[331] (K), Xlink:DSPP[331] (Protein N-term), Xlink:DSS[138] (K), Xlink:DSS[138] (Protein N-term), Xlink:DSS[155] (K), Xlink:DSS[155] (Protein N-term), Xlink:DSS[156] (K), Xlink:DSS[156] (Protein N-term), Xlink:DSS[259] (K), Xlink:DSS[259] (Protein N-term), Xlink:DSSO[104] (K), Xlink:DSSO[104] (Protein N-term), Xlink:DSSO[158] (K), Xlink:DSSO[158] (Protein N-term), Xlink:DSSO[175] (K), Xlink:DSSO[175] (Protein N-term), Xlink:DSSO[176] (K), Xlink:DSSO[176] (Protein N-term), Xlink:DSSO[279] (K), Xlink:DSSO[279] (Protein N-term), Xlink:DSSO[54] (K), Xlink:DSSO[54] (Protein N-term), Xlink:DSSO[86] (K), Xlink:DSSO[86] (Protein N-term), Xlink:DST[114] (K), Xlink:DST[114] (Protein N-term), Xlink:DST[132] (K), Xlink:DST[132] (Protein N-term), Xlink:DST[56] (K), Xlink:DST[56] (Protein N-term), Xlink:DTBP[172] (K), Xlink:DTBP[172] (Protein N-term), Xlink:DTBP[87] (K), Xlink:DTBP[87] (Protein N-term), Xlink:DTSSP[174] (K), Xlink:DTSSP[174] (Protein N-term), Xlink:DTSSP[192] (K), Xlink:DTSSP[192] (Protein N-term), Xlink:DTSSP[88] (K), Xlink:DTSSP[88] (Protein N-term), Xlink:EGS[115] (K), Xlink:EGS[115] (Protein N-term), Xlink:EGS[226] (K), Xlink:EGS[226] (Protein N-term), Xlink:EGS[244] (K), Xlink:EGS[244] (Protein N-term), Xlink:SMCC[219] (C), Xlink:SMCC[219] (K), Xlink:SMCC[219] (Protein N-term), Xlink:SMCC[237] (C), Xlink:SMCC[237] (K), Xlink:SMCC[237] (Protein N-term), Xlink:SMCC[321] (C), ZGB (K), ZGB (N-term), ZQG (K)
variable_max_per_peptide2 Maximum number of residues carrying a variable modification per candidate peptide.
+++peptidePeptide Options
min_size6 Minimum size a peptide must have after digestion to be considered in the search.
max_size1000000 Maximum size a peptide may have after digestion to be considered in the search.
missed_cleavages2 Number of missed cleavages.
enzymeTrypsin/P The enzyme used for peptide digestion.Asp-N_ambic, Chymotrypsin, Chymotrypsin/P, CNBr, Formic_acid, Lys-C, Lys-N, Lys-C/P, PepsinA, TrypChymo, Trypsin/P, V8-DE, V8-E, leukocyte elastase, proline endopeptidase, glutamyl endopeptidase, Alpha-lytic protease, 2-iodobenzoate, iodosobenzoate, staphylococcal protease/D, proline-endopeptidase/HKR, Glu-C+P, PepsinA + P, cyanogen-bromide, Clostripain/P, elastase-trypsin-chymotrypsin, no cleavage, unspecific cleavage, Trypsin, Arg-C, Arg-C/P, Asp-N, Asp-N/B
clip_nterm_methioninetrue Also search protein N-terminal peptides after removal of their initial methionine (the form with the methionine is still searched). Generated decoys keep the initial methionine, so that targets and decoys gain the same peptides. Set false for the previous search space.true, false
+++reportReporting Options
top_hits1 Maximum number of top scoring hits per spectrum that are reported.
peptideFDR0.01 Maximum q-value of non-cross-linked peptides. (0 = disabled).
xlFDR[0.01, 0.1, 1.0] Maximum q-value of cross-linked peptides at the PSM-level. (0 or 1 = disabled). If multiple values are provided, multiple output files will be created.
xl_peptidelevel_FDR[1.0, 1.0, 1.0] Maximum q-value of cross-linked peptides at the peptide-level. (0 or 1 = disabled). Needs to have same size as PSM-level FDR. Filtering is applied together with the correpsonding value in the report:xlFDR list.
xl_fdr_groupsauto Separate FDR group for short cross-links (at most 9 residues, nucleic acid adduct of at least 2 nucleotides). They carry little sequence-specific fragment evidence next to their adduct, so with one FDR over all cross-links far more of the short ones are false. In their own group, the FDR of the short and of the other cross-links is each held at report:xlFDR (annotated as NuXL:fdr_group). 'auto': only if the short cross-links have at least 10 decoys at 10% FDR over all cross-links, enough to estimate their own FDR. 'on': whenever the short and the other cross-links both have decoys. 'off': one FDR over all cross-links.auto, on, off
+++NuXLNuXL Options
presetsnone Set precursor and fragment adducts from presets (recommended). Custom presets can be defined in a 'nuxl_presets.json' file placed in the share/OpenMS/NUXL/ directory or specified via NuXL:presets_file.DNA-DEB, DNA-DEB Extended, DNA-FA, DNA-FA Extended, DNA-NM, DNA-NM Extended, DNA-UV, DNA-UV (BrU), DNA-UV Extended, RNA-DEB, RNA-DEB Extended, RNA-FA, RNA-FA Extended, RNA-NM, RNA-NM Extended, RNA-NM Extended (+H2O), RNA-SDA, RNA-UV (4SU), RNA-UV (6SG), RNA-UV (U), RNA-UV (UCGA), RNA-UV Extended (4SU), RNA-UV Extended (6SG), RNA-UV Extended (U), RNA-UV Extended (UCGA), none
presets_file Optional custom path to nuxl_presets.json file. If not provided, the default file in share/OpenMS/NUXL/ will be used.input file*.json
length2 Oligonucleotide maximum length. 0 = disable search for NA variants.
sequence Sequence to restrict the generation of oligonucleotide chains. (disabled for empty sequence).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P] format: target nucleotide=empirical formula of nucleoside monophosphate
e.g. A=C10H14N5O7P, ..., U=C10H14N5O7P, X=C9H13N2O8PS where X represents e.g. tU
or e.g. Y=C10H14N5O7PS where Y represents tG.
nt_groups[] Restrict which nucleotides can cooccur in a precursor adduct to be able to search both RNA and DNA (format: 'AU CG').
mapping[A->A, C->C, G->G, U->U] format: source->target e.g. A->A, ..., U->U, U->X.
can_cross_linkU format: 'U' if only U forms cross-links. 'CATG' if C, A, G, and T form cross-links.
standalone Target nucleotides that only form precursor adducts on their own (e.g. 's' for a cross-linker without nucleotide). They are never combined with other nucleotides and are not restricted by NuXL:sequence. They need a NuXL:target_nucleotides entry, NuXL:modifications and NuXL:fragment_adducts, and must be listed in NuXL:can_cross_link. Hits with only standalone nucleotides count as peptides, not cross-links (FDR and reports), and are not searched with NuXL:only_xl.
localizationfragments How cross-links are localized. 'fragments': at the residue the shifted fragment ions point to. 'NHS': for cross-linkers attached through an NHS ester (e.g. SDA), by its chemistry among the residues the fragment ions can't tell apart: the free protein N-terminus, then lysine, then S/T/Y with a histidine within four residues, skipping residues with a modification other than a pure isotope substitution (e.g. Acetyl (K) or TMT6plex (K), but not Label:13C(6) (K)) and, if the enzyme cleaves after lysine, a C-terminal lysine unless the peptide ends the protein; otherwise unlocalized. Reports how the site was chosen in NuXL:localization_method and the supported residues in NuXL:localization_range.fragments, NHS
fragment_adducts[U:C9H10N2O5;U-H3PO4, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C3O;C3O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3] format: [target nucleotide]:[formula] or [precursor adduct]->[fragment adduct formula];[name]: e.g., 'U:C9H10N2O5;U-H3PO4' or 'U:U-H2O->C9H11N2O8P1;U-H2O'.
modifications[U:, U:-H2O, U:-HPO3, U:-H3PO4] format: empirical formula e.g U: U:-H2O, ..., U:H2O+PO3.
scoringslow Scoring algorithm used in prescoring (fast: total-loss only, slow: all losses).fast, slow
rescoringnone Additional evidence per hit, after ProSE. 'features': annotate the score margin over the best hit of another peptide sequence (NuXL:delta_score, and NuXL:delta_score_class within cross-links or peptides; needs slow scoring) and a fragment ion likelihood learned from the confident hits of the run (NuXL:ion_llr, NuXL:ion_llr_shifted, NuXL:ion_explained, NuXL:ion_topk_observed; needs decoys), and pass them to Percolator. The hits of each half of the spectra are scored by the ion model trained on the other half. 'native': in addition, add the delta score of cross-links and 0.3 times NuXL:ion_llr to the score of every hit, which ranks the hits and is reported in the idXML, the TSV report and the FDR filtered outputs (needs decoys).none, features, native
decoystrue Generate decoys internally (recommended).true, false
decoy_factor1 Ratio of decoys to targets.
CysteineAdductfalse Use this flag if the +152 adduct is expected.true, false
filter_fractional_massfalse Use this flag to filter non-crosslinks by fractional mass.true, false
carbon_labeled_fragmentsfalse Generate fragment shifts assuming full labeling of carbon (e.g. completely labeled U13).true, false
only_xlfalse Only search cross-links and ignore non-cross-linked peptides.true, false
filter_small_peptide_mass600.0 Filter precursor that can only correspond to non-crosslinks by mass.
marker_ions_tolerance0.03 Tolerance used to determine marker ions (Da).
+++presets
++++DNA-DEBPresets for DNA-DEB cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkTCGAd
modifications[T:+C4H6O2, G:+C4H6O2, C:+C4H6O2, A:+C4H6O2, d:, d:-H2O]
fragment_adducts[T:C4H6O2;DEB, T:C4H4O;DEB-H2O, T:C9H12N2O4;DEB+T', T:C9H10N2O3;DEB+T'-H2O, T:C14H21N2O10P1;DEB+T, T:C14H19N2O9P1;DEB+T-H2O, T:C14H20N2O7;DEB+T-HPO3, T:C14H18N2O6;DEB+T-H3PO4, C:C4H6O2;DEB, C:C4H4O;DEB-H2O, C:C8H11N3O3;DEB+C', C:C8H8N2O3;DEB+C'-NH3, C:C8H9N3O2;DEB+C'-H2O, C:C13H20N3O9P1;DEB+C, C:C13H17N2O9P1;DEB+C-NH3, C:C13H18N3O8P1;DEB+C-H2O, C:C13H19N3O6;DEB+C-HPO3, C:C13H17N3O5;DEB+C-H3PO4, C:C13H16N2O6;DEB+C-NH3-HPO3, C:C13H14N2O5;DEB+C-NH3-H3PO4, C:C13H15N2O8P1;DEB+C-NH3-H2O, G:C4H6O2;DEB, G:C4H4O;DEB-H2O, G:C9H11N5O3;DEB+G', G:C9H8N4O3;DEB+G'-NH3, G:C9H9N5O2;DEB+G'-H2O, G:C14H20N5O9P1;DEB+G, G:C14H17N4O9P1;DEB+G-NH3, G:C14H18N5O8P1;DEB+G-H2O, G:C14H19N5O6;DEB+G-HPO3, G:C14H17N5O5;DEB+G-H3PO4, G:C14H16N4O6;DEB+G-NH3-HPO3, G:C14H14N4O5;DEB+G-NH3-H3PO4, G:C14H15N4O8P1;DEB+G-NH3-H2O, A:C4H6O2;DEB, A:C4H4O;DEB-H2O, A:C9H11N5O2;DEB+A', A:C9H8N4O2;DEB+A'-NH3, A:C14H20N5O8P1;DEB+A, A:C14H17N4O8P1;DEB+A-NH3, A:C14H18N5O7P1;DEB+A-H2O, A:C14H19N5O5;DEB+A-HPO3, A:C14H17N5O4;DEB+A-H3PO4, A:C14H16N4O5;DEB+A-NH3-HPO3, A:C14H14N4O4;DEB+A-NH3-H3PO4, A:C14H15N4O7P1;DEB+A-NH3-H2O, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-DEB ExtendedPresets for DNA-DEB Extended cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkTCGAd
modifications[T:+C4H6O2, T:+C4H6O2-H2O, T:+C4H6O2-HPO3, T:+C4H6O2-H3PO4, T:+C4H6O2-H2O-H2O, T:+C4H6O2-H3PO4-H2O, G:+C4H6O2, G:+C4H6O2-H2O, G:+C4H6O2-HPO3, G:+C4H6O2-H3PO4, G:+C4H6O2-H2O-H2O, G:+C4H6O2-H3PO4-H2O, G:+C4H6O2-NH3, G:+C4H6O2-NH3-H2O, G:+C4H6O2-NH3-HPO3, G:+C4H6O2-NH3-H3PO4, C:+C4H6O2, C:+C4H6O2-H2O, C:+C4H6O2-HPO3, C:+C4H6O2-H3PO4, C:+C4H6O2-H2O-H2O, C:+C4H6O2-H3PO4-H2O, C:+C4H6O2-NH3-H2O, C:+C4H6O2-NH3, C:+C4H6O2-NH3-HPO3, C:+C4H6O2-NH3-H3PO4, A:+C4H6O2, A:+C4H6O2-H2O, A:+C4H6O2-H3PO4, A:+C4H6O2-HPO3, A:+C4H6O2-NH3, A:+C4H6O2-NH3-H2O, A:+C4H6O2-NH3-HPO3, A:+C4H6O2-NH3-H3PO4, d:, d:-H2O, d:-H3PO4, d:-HPO3]
fragment_adducts[T:C4H6O2;DEB, T:C4H4O;DEB-H2O, T:C9H12N2O4;DEB+T', T:C9H10N2O3;DEB+T'-H2O, T:C14H21N2O10P1;DEB+T, T:C14H19N2O9P1;DEB+T-H2O, T:C14H20N2O7;DEB+T-HPO3, T:C14H18N2O6;DEB+T-H3PO4, C:C4H6O2;DEB, C:C4H4O;DEB-H2O, C:C8H11N3O3;DEB+C', C:C8H8N2O3;DEB+C'-NH3, C:C8H9N3O2;DEB+C'-H2O, C:C13H20N3O9P1;DEB+C, C:C13H17N2O9P1;DEB+C-NH3, C:C13H18N3O8P1;DEB+C-H2O, C:C13H19N3O6;DEB+C-HPO3, C:C13H17N3O5;DEB+C-H3PO4, C:C13H16N2O6;DEB+C-NH3-HPO3, C:C13H14N2O5;DEB+C-NH3-H3PO4, C:C13H15N2O8P1;DEB+C-NH3-H2O, G:C4H6O2;DEB, G:C4H4O;DEB-H2O, G:C9H11N5O3;DEB+G', G:C9H8N4O3;DEB+G'-NH3, G:C9H9N5O2;DEB+G'-H2O, G:C14H20N5O9P1;DEB+G, G:C14H17N4O9P1;DEB+G-NH3, G:C14H18N5O8P1;DEB+G-H2O, G:C14H19N5O6;DEB+G-HPO3, G:C14H17N5O5;DEB+G-H3PO4, G:C14H16N4O6;DEB+G-NH3-HPO3, G:C14H14N4O5;DEB+G-NH3-H3PO4, G:C14H15N4O8P1;DEB+G-NH3-H2O, A:C4H6O2;DEB, A:C4H4O;DEB-H2O, A:C9H11N5O2;DEB+A', A:C9H8N4O2;DEB+A'-NH3, A:C14H20N5O8P1;DEB+A, A:C14H17N4O8P1;DEB+A-NH3, A:C14H18N5O7P1;DEB+A-H2O, A:C14H19N5O5;DEB+A-HPO3, A:C14H17N5O4;DEB+A-H3PO4, A:C14H16N4O5;DEB+A-NH3-HPO3, A:C14H14N4O4;DEB+A-NH3-H3PO4, A:C14H15N4O7P1;DEB+A-NH3-H2O, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-FAPresets for DNA-FA cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkCGAd
modifications[G:+C, G:+C-HPO3, G:+C-H3PO4, G:+C-H2O, C:+C, C:+C-H2O, C:+C-HPO3, C:+C-H3PO4, A:+C, A:+C-HPO3, A:+C-H2O, A:+C-H3PO4, d:, d:-H2O, d:-H3PO4, d:-HPO3]
fragment_adducts[T:C5H6N2O2;T', T:C5H4N2O1;T'-H2O, T:C10H15N2O8P1;T, T:C10H13N2O7P1;T-H2O, T:C10H14N2O5;T-HPO3, T:C10H12N2O4;T-H3PO4, G:C;FA, G:C5H5N5O;G', G:C10H14N5O7P;G, G:C6H5N5O;G'+FA, G:C11H14N5O7P;G+FA, G:C11H13N5O4;G+FA-HPO3, G:C11H12N5O6P;G+FA-H2O, G:C11H11N5O3;G+FA-H3PO4, G:C7H5N5O;G'+2FA, G:C12H14N5O7P;G+2FA, G:C12H13N5O4;G+2FA-HPO3, G:C12H12N5O6P;G+2FA-H2O, G:C12H11N5O3;G+2FA-H3PO4, C:C;FA, C:C4H5N3O;C', C:C9H14N3O7P;C, C:C5H5N3O;C'+FA, C:C10H14N3O7P;C+FA, C:C10H13N3O4;C+FA-HPO3, C:C10H12N3O6P;C+FA-H2O, C:C10H11N3O3;C+FA-H3PO4, C:C6H5N3O;C'+2FA, C:C11H14N3O7P;C+2FA, C:C11H13N3O4;C+2FA-HPO3, C:C11H12N3O6P;C+2FA-H2O, C:C11H11N3O3;C+2FA-H3PO4, A:C;FA, A:C5H5N5;A', A:C10H14N5O6P;A, A:C6H5N5;A'+FA, A:C11H14N5O6P;A+FA, A:C11H13N5O3;A+FA-HPO3, A:C11H12N5O5P;A+FA-H2O, A:C11H11N5O2;A+FA-H3PO4, A:C7H5N5;A'+2FA, A:C12H14N5O6P;A+2FA, A:C12H13N5O3;A+2FA-HPO3, A:C12H12N5O5P;A+2FA-H2O, A:C12H11N5O2;A+2FA-H3PO4, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-FA ExtendedPresets for DNA-FA Extended cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkCGAd
modifications[G:+C, G:+C-HPO3, G:+C-H3PO4, G:+C-H2O, G:+C2, G:+C2-HPO3, G:+C2-H3PO4, G:+C2-H2O, C:+C, C:+C-H2O, C:+C-HPO3, C:+C-H3PO4, C:+C2, C:+C2-HPO3, C:+C2-H3PO4, C:+C2-H2O, A:+C, A:+C-HPO3, A:+C-H2O, A:+C-H3PO4, A:+C2, A:+C2-HPO3, A:+C2-H3PO4, A:+C2-H2O, d:, d:-H2O, d:-H3PO4, d:-HPO3]
fragment_adducts[T:C5H6N2O2;T', T:C5H4N2O1;T'-H2O, T:C10H15N2O8P1;T, T:C10H13N2O7P1;T-H2O, T:C10H14N2O5;T-HPO3, T:C10H12N2O4;T-H3PO4, G:C;FA, G:C5H5N5O;G', G:C10H14N5O7P;G, G:C6H5N5O;G'+FA, G:C11H14N5O7P;G+FA, G:C11H13N5O4;G+FA-HPO3, G:C11H12N5O6P;G+FA-H2O, G:C11H11N5O3;G+FA-H3PO4, G:C7H5N5O;G'+2FA, G:C12H14N5O7P;G+2FA, G:C12H13N5O4;G+2FA-HPO3, G:C12H12N5O6P;G+2FA-H2O, G:C12H11N5O3;G+2FA-H3PO4, C:C;FA, C:C4H5N3O;C', C:C9H14N3O7P;C, C:C5H5N3O;C'+FA, C:C10H14N3O7P;C+FA, C:C10H13N3O4;C+FA-HPO3, C:C10H12N3O6P;C+FA-H2O, C:C10H11N3O3;C+FA-H3PO4, C:C6H5N3O;C'+2FA, C:C11H14N3O7P;C+2FA, C:C11H13N3O4;C+2FA-HPO3, C:C11H12N3O6P;C+2FA-H2O, C:C11H11N3O3;C+2FA-H3PO4, A:C;FA, A:C5H5N5;A', A:C10H14N5O6P;A, A:C6H5N5;A'+FA, A:C11H14N5O6P;A+FA, A:C11H13N5O3;A+FA-HPO3, A:C11H12N5O5P;A+FA-H2O, A:C11H11N5O2;A+FA-H3PO4, A:C7H5N5;A'+2FA, A:C12H14N5O6P;A+2FA, A:C12H13N5O3;A+2FA-HPO3, A:C12H12N5O5P;A+2FA-H2O, A:C12H11N5O2;A+2FA-H3PO4, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-NMPresets for DNA-NM cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkTCGAd
modifications[T:+C5H9N1, G:+C5H9N1, C:+C5H9N1, A:+C5H9N1, d:, d:-H2O]
fragment_adducts[T:C5H9N1;NM, T:C15H24N3O8P1;NM+T, T:C15H22N3O7P1;NM+T-H2O, T:C15H23N3O5;NM+T-HPO3, T:C15H21N3O4;NM+T-H3PO4, T:C10H15N3O2;NM+T', T:C10H13N3O1;NM+T'-H2O, C:C5H9N;NM, C:C9H14N4O1;NM+C', C:C9H11N3O1;NM+C'-NH3, C:C9H12N4;NM+C'-H2O, C:C14H23N4O7P1;NM+C, C:C14H21N4O6P1;NM+C-H2O, C:C14H20N3O7P1;NM+C-NH3, C:C14H18N3O6P1;NM+C-NH3-H2O, C:C14H20N4O3;NM+C-H3PO4, C:C14H22N4O4;NM+C-HPO3, C:C14H19N3O4;NM+C-NH3-HPO3, C:C14H17N3O3;NM+C-NH3-H3PO4, G:C5H9N1;NM, G:C10H14N6O1;NM+G', G:C10H12N6;NM+G'-H2O, G:C10H11N5O1;NM+G'-NH3, G:C15H23N6O7P1;NM+G, G:C15H21N6O6P1;NM+G-H2O, G:C15H22N6O4;NM+G-HPO3, G:C15H20N6O3;NM+G-H3PO4, G:C15H20N5O7P1;NM+G-NH3, G:C15H18N5O6P1;NM+G-NH3-H2O, G:C15H19N5O4;NM+G-NH3-HPO3, G:C15H17N5O3;NM+G-NH3-H3PO4, A:C5H9N1;NM, A:C10H14N6;NM+A', A:C10H11N5;NM+A'-NH3, A:C15H23N6O6P1;NM+A, A:C15H20N6O2;NM+A-H3PO4, A:C15H21N6O5P1;NM+A-H2O, A:C15H22N6O3;NM+A-HPO3, A:C15H20N5O6P1;NM+A-NH3, A:C15H18N5O5P1;NM+A-NH3-H2O, A:C15H19N5O3;NM+A-NH3-HPO3, A:C15H17N5O2;NM+A-NH3-H3PO4, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-NM ExtendedPresets for DNA-NM Extended cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkTCGAd
modifications[T:+C5H9N1, T:+C5H9N1-H2O, T:+C5H9N1-HPO3, T:+C5H9N1-H3PO4, T:+C5H9N1-H2O-H2O, T:+C5H9N1-H3PO4-H2O, G:+C5H9N1, G:+C5H9N1-H2O, G:+C5H9N1-HPO3, G:+C5H9N1-H3PO4, G:+C5H9N1-H2O-H2O, G:+C5H9N1-H3PO4-H2O, G:+C5H9N1-NH3, G:+C5H9N1-NH3-H2O, G:+C5H9N1-NH3-HPO3, G:+C5H9N1-NH3-H3PO4, C:+C5H9N1, C:+C5H9N1-H2O, C:+C5H9N1-HPO3, C:+C5H9N1-H3PO4, C:+C5H9N1-H2O-H2O, C:+C5H9N1-H3PO4-H2O, C:+C5H9N1-NH3, C:+C5H9N1-NH3-HPO3, C:+C5H9N1-NH3-H2O, C:+C5H9N1-NH3-H3PO4, A:+C5H9N1, A:+C5H9N1-HPO3, A:+C5H9N1-H2O, A:+C5H9N1-H3PO4, A:+C5H9N1-NH3, A:+C5H9N1-NH3-HPO3, A:+C5H9N1-NH3-H2O, A:+C5H9N1-NH3-H3PO4, d:, d:-H2O, d:-H3PO4, d:-HPO3]
fragment_adducts[T:C5H9N1;NM, T:C15H24N3O8P1;NM+T, T:C15H22N3O7P1;NM+T-H2O, T:C15H23N3O5;NM+T-HPO3, T:C15H21N3O4;NM+T-H3PO4, T:C10H15N3O2;NM+T', T:C10H13N3O1;NM+T'-H2O, C:C5H9N;NM, C:C9H14N4O1;NM+C', C:C9H11N3O1;NM+C'-NH3, C:C9H12N4;NM+C'-H2O, C:C14H23N4O7P1;NM+C, C:C14H21N4O6P1;NM+C-H2O, C:C14H20N3O7P1;NM+C-NH3, C:C14H18N3O6P1;NM+C-NH3-H2O, C:C14H20N4O3;NM+C-H3PO4, C:C14H22N4O4;NM+C-HPO3, C:C14H19N3O4;NM+C-NH3-HPO3, C:C14H17N3O3;NM+C-NH3-H3PO4, G:C5H9N1;NM, G:C10H14N6O1;NM+G', G:C10H12N6;NM+G'-H2O, G:C10H11N5O1;NM+G'-NH3, G:C15H23N6O7P1;NM+G, G:C15H21N6O6P1;NM+G-H2O, G:C15H22N6O4;NM+G-HPO3, G:C15H20N6O3;NM+G-H3PO4, G:C15H20N5O7P1;NM+G-NH3, G:C15H18N5O6P1;NM+G-NH3-H2O, G:C15H19N5O4;NM+G-NH3-HPO3, G:C15H17N5O3;NM+G-NH3-H3PO4, A:C5H9N1;NM, A:C10H14N6;NM+A', A:C10H11N5;NM+A'-NH3, A:C15H23N6O6P1;NM+A, A:C15H20N6O2;NM+A-H3PO4, A:C15H21N6O5P1;NM+A-H2O, A:C15H22N6O3;NM+A-HPO3, A:C15H20N5O6P1;NM+A-NH3, A:C15H18N5O5P1;NM+A-NH3-H2O, A:C15H19N5O3;NM+A-NH3-HPO3, A:C15H17N5O2;NM+A-NH3-H3PO4, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-UVPresets for DNA-UV cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkTCGAd
modifications[T:, T:-H2O, G:, G:-H2O, G:-NH3, A:, A:-NH3, C:, C:-H2O, C:-NH3, d:, d:-H2O]
fragment_adducts[T:C5H6N2O2;T', T:C5H4N2O;T'-H2O, T:C10H15N2O8P;T, T:C10H13N2O7P;T-H2O, T:C10H14N2O5;T-HPO3, T:C10H12N2O4;T-H3PO4, C:C9H14N3O7P;C, C:C9H11N2O7P;C-NH3, C:C9H12N3O6P;C-H2O, C:C9H9N2O6P;C-NH3-H2O, C:C9H13N3O4;C-HPO3, C:C9H11N3O3;C-H3PO4, C:C9H10N2O4;C-NH3-HPO3, C:C9H8N2O3;C-NH3-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, G:C10H14N5O7P;G, G:C10H12N5O6P;G-H2O, G:C10H11N4O7P;G-NH3, G:C10H9N4O6P;G-NH3-H2O, G:C10H13N5O4;G-HPO3, G:C10H10N4O4;G-NH3-HPO3, G:C10H11N5O3;G-H3PO4, G:C10H8N4O3;G-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, A:C10H14N5O6P;A, A:C10H12N5O5P;A-H2O, A:C10H11N4O6P;A-NH3, A:C10H9N4O5P;A-NH3-H2O, A:C10H13N5O3;A-HPO3, A:C10H11N5O2;A-H3PO4, A:C10H10N4O3;A-NH3-HPO3, A:C10H8N4O2;A-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-UV (BrU)Presets for DNA-UV (BrU) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, B=C9H11N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, B->B, d->d]
can_cross_linkB
modifications[T:, T:-H2O, B:, B:-H2O, G:, G:-H2O, G:-NH3, A:, A:-NH3, C:, C:-H2O, C:-NH3, d:, d:-H2O]
fragment_adducts[T:C5H6N2O2;T', T:C5H4N2O;T'-H2O, T:C10H15N2O8P;T, T:C10H13N2O7P;T-H2O, T:C10H14N2O5;T-HPO3, T:C10H12N2O4;T-H3PO4, B:C4H2N2O2;B', B:C4N2O;B'-H2O, B:C9H11N2O8P;B, B:C9H9N2O7P;B-H2O, B:C9H10N2O5;B-HPO3, B:C9H8N2O4;B-H3PO4, C:C9H14N3O7P;C, C:C9H11N2O7P;C-NH3, C:C9H12N3O6P;C-H2O, C:C9H9N2O6P;C-NH3-H2O, C:C9H13N3O4;C-HPO3, C:C9H11N3O3;C-H3PO4, C:C9H10N2O4;C-NH3-HPO3, C:C9H8N2O3;C-NH3-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, G:C10H14N5O7P;G, G:C10H12N5O6P;G-H2O, G:C10H11N4O7P;G-NH3, G:C10H9N4O6P;G-NH3-H2O, G:C10H13N5O4;G-HPO3, G:C10H10N4O4;G-NH3-HPO3, G:C10H11N5O3;G-H3PO4, G:C10H8N4O3;G-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, A:C10H14N5O6P;A, A:C10H12N5O5P;A-H2O, A:C10H11N4O6P;A-NH3, A:C10H9N4O5P;A-NH3-H2O, A:C10H13N5O3;A-HPO3, A:C10H11N5O2;A-H3PO4, A:C10H10N4O3;A-NH3-HPO3, A:C10H8N4O2;A-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++DNA-UV ExtendedPresets for DNA-UV Extended cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O6P, C=C9H14N3O7P, G=C10H14N5O7P, T=C10H15N2O8P, d=C5H9O6P]
mapping[A->A, C->C, G->G, T->T, d->d]
can_cross_linkTCGAd
modifications[T:, T:-H2O, T:-H3PO4, T:-HPO3, C:, C:-H2O, C:-H3PO4, C:-HPO3, C:-NH3, C:-NH3-H2O, C:-NH3-HPO3, C:-NH3-H3PO4, G:, G:-H2O, G:-H3PO4, G:-HPO3, G:-NH3, G:-NH3-H2O, G:-NH3-HPO3, G:-NH3-H3PO4, A:, A:-NH3, A:-H2O, A:-H3PO4, A:-HPO3, A:-NH3-H2O, A:-NH3-HPO3, A:-NH3-H3PO4, d:, d:-H2O, d:-H3PO4, d:-HPO3]
fragment_adducts[T:C5H6N2O2;T', T:C5H4N2O;T'-H2O, T:C10H15N2O8P;T, T:C10H13N2O7P;T-H2O, T:C10H14N2O5;T-HPO3, T:C10H12N2O4;T-H3PO4, C:C9H14N3O7P;C, C:C9H11N2O7P;C-NH3, C:C9H12N3O6P;C-H2O, C:C9H9N2O6P;C-NH3-H2O, C:C9H13N3O4;C-HPO3, C:C9H11N3O3;C-H3PO4, C:C9H10N2O4;C-NH3-HPO3, C:C9H8N2O3;C-NH3-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, G:C10H14N5O7P;G, G:C10H12N5O6P;G-H2O, G:C10H11N4O7P;G-NH3, G:C10H9N4O6P;G-NH3-H2O, G:C10H13N5O4;G-HPO3, G:C10H10N4O4;G-NH3-HPO3, G:C10H11N5O3;G-H3PO4, G:C10H8N4O3;G-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, A:C10H14N5O6P;A, A:C10H12N5O5P;A-H2O, A:C10H11N4O6P;A-NH3, A:C10H9N4O5P;A-NH3-H2O, A:C10H13N5O3;A-HPO3, A:C10H11N5O2;A-H3PO4, A:C10H10N4O3;A-NH3-HPO3, A:C10H8N4O2;A-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, d:C5H9O6P;C5H9O6P, d:C5H7O5P;C5H9O6P-H2O, d:C5H8O3;C5H9O6P-HPO3, d:C5H6O2;C5H9O6P-H3PO4]
++++RNA-DEBPresets for RNA-DEB cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGA
modifications[U:+C4H6O2, G:+C4H6O2, C:+C4H6O2, A:+C4H6O2]
fragment_adducts[U:C4H6O2;DEB, U:C4H4O;DEB-H2O, U:C7H6O3;DEB+C3O, U:C8H10N2O4;DEB+U', U:C8H8N2O3;DEB+U'-H2O, U:C13H19N2O11P1;DEB+U, U:C13H17N2O10P1;DEB+U-H2O, U:C13H18N2O8;DEB+U-HPO3, U:C13H16N2O7;DEB+U-H3PO4, G:C4H6O2;DEB, G:C4H4O;DEB-H2O, G:C9H11N5O3;DEB+G', G:C9H9N5O2;DEB+G'-H2O, G:C9H8N4O3;DEB+G'-NH3, G:C14H20N5O10P1;DEB+G, G:C14H18N5O9P1;DEB+G-H2O, G:C14H17N4O10P1;DEB+G-NH3, G:C14H19N5O7;DEB+G-HPO3, G:C14H17N5O6;DEB+G-H3PO4, G:C14H16N4O7;DEB+G-NH3-HPO3, G:C14H14N4O6;DEB+G-NH3-H3PO4, G:C14H15N4O9P1;DEB+G-NH3-H2O, C:C4H6O2;DEB, C:C4H4O;DEB-H2O, C:C8H11N3O3;DEB+C', C:C8H9N3O2;DEB+C'-H2O, C:C8H8N2O3;DEB+C'-NH3, C:C13H20N3O10P1;DEB+C, C:C13H18N3O9P1;DEB+C-H2O, C:C13H17N2O10P1;DEB+C-NH3, C:C13H19N3O7;DEB+C-HPO3, C:C13H17N3O6;DEB+C-H3PO4, C:C13H16N2O7;DEB+C-NH3-HPO3, C:C13H14N2O6;DEB+C-NH3-H3PO4, C:C13H15N2O9P1;DEB+C-NH3-H2O, A:C4H6O2;DEB, A:C4H4O;DEB-H2O, A:C9H11N5O2;DEB+A', A:C9H8N4O2;DEB+A'-NH3, A:C14H20N5O9P1;DEB+A, A:C14H18N5O8P1;DEB+A-H2O, A:C14H17N4O9P1;DEB+A-NH3, A:C14H19N5O6;DEB+A-HPO3, A:C14H17N5O5;DEB+A-H3PO4, A:C14H16N4O6;DEB+A-NH3-HPO3, A:C14H14N4O5;DEB+A-NH3-H3PO4, A:C14H15N4O8P1;DEB+A-NH3-H2O]
++++RNA-DEB ExtendedPresets for RNA-DEB Extended cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGA
modifications[U:+C4H6O2, U:+C4H6O2-H2O, U:+C4H6O2-HPO3, U:+C4H6O2-H3PO4, U:+C4H6O2-H2O-H2O, U:+C4H6O2-H3PO4-H2O, G:+C4H6O2, G:+C4H6O2-H2O, G:+C4H6O2-HPO3, G:+C4H6O2-H3PO4, G:+C4H6O2-H2O-H2O, G:+C4H6O2-H3PO4-H2O, G:+C4H6O2-NH3, G:+C4H6O2-NH3-H2O, G:+C4H6O2-NH3-HPO3, G:+C4H6O2-NH3-H3PO4, C:+C4H6O2, C:+C4H6O2-H2O, C:+C4H6O2-HPO3, C:+C4H6O2-H3PO4, C:+C4H6O2-H2O-H2O, C:+C4H6O2-H3PO4-H2O, C:+C4H6O2-NH3, C:+C4H6O2-NH3-H2O, C:+C4H6O2-NH3-HPO3, C:+C4H6O2-NH3-H3PO4, A:+C4H6O2, A:+C4H6O2-H2O, A:+C4H6O2-HPO3, A:+C4H6O2-H3PO4, A:+C4H6O2-NH3, A:+C4H6O2-NH3-H2O, A:+C4H6O2-NH3-HPO3, A:+C4H6O2-NH3-H3PO4]
fragment_adducts[U:C4H6O2;DEB, U:C4H4O;DEB-H2O, U:C7H6O3;DEB+C3O, U:C8H10N2O4;DEB+U', U:C8H8N2O3;DEB+U'-H2O, U:C13H19N2O11P1;DEB+U, U:C13H17N2O10P1;DEB+U-H2O, U:C13H18N2O8;DEB+U-HPO3, U:C13H16N2O7;DEB+U-H3PO4, G:C4H6O2;DEB, G:C4H4O;DEB-H2O, G:C9H11N5O3;DEB+G', G:C9H9N5O2;DEB+G'-H2O, G:C9H8N4O3;DEB+G'-NH3, G:C14H20N5O10P1;DEB+G, G:C14H18N5O9P1;DEB+G-H2O, G:C14H17N4O10P1;DEB+G-NH3, G:C14H19N5O7;DEB+G-HPO3, G:C14H17N5O6;DEB+G-H3PO4, G:C14H16N4O7;DEB+G-NH3-HPO3, G:C14H14N4O6;DEB+G-NH3-H3PO4, G:C14H15N4O9P1;DEB+G-NH3-H2O, C:C4H6O2;DEB, C:C4H4O;DEB-H2O, C:C8H11N3O3;DEB+C', C:C8H9N3O2;DEB+C'-H2O, C:C8H8N2O3;DEB+C'-NH3, C:C13H20N3O10P1;DEB+C, C:C13H18N3O9P1;DEB+C-H2O, C:C13H17N2O10P1;DEB+C-NH3, C:C13H19N3O7;DEB+C-HPO3, C:C13H17N3O6;DEB+C-H3PO4, C:C13H16N2O7;DEB+C-NH3-HPO3, C:C13H14N2O6;DEB+C-NH3-H3PO4, C:C13H15N2O9P1;DEB+C-NH3-H2O, A:C4H6O2;DEB, A:C4H4O;DEB-H2O, A:C9H11N5O2;DEB+A', A:C9H8N4O2;DEB+A'-NH3, A:C14H20N5O9P1;DEB+A, A:C14H18N5O8P1;DEB+A-H2O, A:C14H17N4O9P1;DEB+A-NH3, A:C14H19N5O6;DEB+A-HPO3, A:C14H17N5O5;DEB+A-H3PO4, A:C14H16N4O6;DEB+A-NH3-HPO3, A:C14H14N4O5;DEB+A-NH3-H3PO4, A:C14H15N4O8P1;DEB+A-NH3-H2O]
++++RNA-FAPresets for RNA-FA cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkCGA
modifications[G:+C, G:+C-HPO3, G:+C-H3PO4, G:+C-H2O, C:+C, C:+C-H2O, C:+C-HPO3, C:+C-H3PO4, A:+C, A:+C-HPO3, A:+C-H3PO4, A:+C-H2O]
fragment_adducts[U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, G:C;FA, G:C5H5N5O;G', G:C10H14N5O8P;G, G:C6H5N5O;G'+FA, G:C11H14N5O8P;G+FA, G:C11H12N5O7P;G+FA-H2O, G:C11H11N5O4;G+FA-H3PO4, G:C11H13N5O5;G+FA-HPO3, G:C7H5N5O;G'+2FA, G:C12H14N5O8P;G+2FA, G:C12H12N5O7P;G+2FA-H2O, G:C12H11N5O4;G+2FA-H3PO4, G:C12H13N5O5;G+2FA-HPO3, C:C;FA, C:C4H5N3O;C', C:C9H14N3O8P;C, C:C5H5N3O;C'+FA, C:C10H14N3O8P;C+FA, C:C10H13N3O5;C+FA-HPO3, C:C10H12N3O7P;C+FA-H2O, C:C10H11N3O4;C+FA-H3PO4, C:C6H5N3O;C'+2FA, C:C11H14N3O8P;C+2FA, C:C11H13N3O5;C+2FA-HPO3, C:C11H12N3O7P;C+2FA-H2O, C:C11H11N3O4;C+2FA-H3PO4, A:C;FA, A:C5H5N5;A', A:C10H14N5O7P;A, A:C6H5N5;A'+FA, A:C11H14N5O7P;A+FA, A:C11H13N5O4;A+FA-HPO3, A:C11H12N5O6P;A+FA-H2O, A:C11H11N5O3;A+FA-H3PO4, A:C7H5N5;A'+2FA, A:C12H14N5O7P;A+2FA, A:C12H13N5O4;A+2FA-HPO3, A:C12H12N5O6P;A+2FA-H2O, A:C12H11N5O3;A+2FA-H3PO4]
++++RNA-FA ExtendedPresets for RNA-FA Extended cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkCGA
modifications[G:+C, G:+C-HPO3, G:+C-H3PO4, G:+C-H2O, G:+C2, G:+C2-HPO3, G:+C2-H2O, G:+C2-H3PO4, C:+C, C:+C-H2O, C:+C-HPO3, C:+C-H3PO4, C:+C2, C:+C2-HPO3, C:+C2-H2O, C:+C2-H3PO4, A:+C, A:+C-HPO3, A:+C-H3PO4, A:+C-H2O, A:+C2, A:+C2-HPO3, A:+C2-H2O, A:+C2-H3PO4]
fragment_adducts[U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, G:C;FA, G:C5H5N5O;G', G:C10H14N5O8P;G, G:C6H5N5O;G'+FA, G:C11H14N5O8P;G+FA, G:C11H12N5O7P;G+FA-H2O, G:C11H11N5O4;G+FA-H3PO4, G:C11H13N5O5;G+FA-HPO3, G:C7H5N5O;G'+2FA, G:C12H14N5O8P;G+2FA, G:C12H12N5O7P;G+2FA-H2O, G:C12H11N5O4;G+2FA-H3PO4, G:C12H13N5O5;G+2FA-HPO3, C:C;FA, C:C4H5N3O;C', C:C9H14N3O8P;C, C:C5H5N3O;C'+FA, C:C10H14N3O8P;C+FA, C:C10H13N3O5;C+FA-HPO3, C:C10H12N3O7P;C+FA-H2O, C:C10H11N3O4;C+FA-H3PO4, C:C6H5N3O;C'+2FA, C:C11H14N3O8P;C+2FA, C:C11H13N3O5;C+2FA-HPO3, C:C11H12N3O7P;C+2FA-H2O, C:C11H11N3O4;C+2FA-H3PO4, A:C;FA, A:C5H5N5;A', A:C10H14N5O7P;A, A:C6H5N5;A'+FA, A:C11H14N5O7P;A+FA, A:C11H13N5O4;A+FA-HPO3, A:C11H12N5O6P;A+FA-H2O, A:C11H11N5O3;A+FA-H3PO4, A:C7H5N5;A'+2FA, A:C12H14N5O7P;A+2FA, A:C12H13N5O4;A+2FA-HPO3, A:C12H12N5O6P;A+2FA-H2O, A:C12H11N5O3;A+2FA-H3PO4]
++++RNA-NMPresets for RNA-NM cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGA
modifications[U:+C5H9N1, G:+C5H9N1, C:+C5H9N1, A:+C5H9N1]
fragment_adducts[U:C5H9N1;NM, U:C8H9N1O1;NM+C3O, U:C14H22N3O9P1;NM+U, U:C14H20N3O8P1;NM+U-H2O, U:C14H21N3O6;NM+U-HPO3, U:C14H19N3O5;NM+U-H3PO4, U:C9H13N3O2;NM+U', U:C9H11N3O1;NM+U'-H2O, C:C5H9N1;NM, C:C14H23N4O8P1;NM+C, C:C14H21N4O7P1;NM+C-H2O, C:C14H20N3O8P1;NM+C-NH3, C:C14H22N4O5;NM+C-HPO3, C:C14H20N4O4;NM+C-H3PO4, C:C14H19N3O5;NM+C-NH3-HPO3, C:C14H17N3O4;NM+C-NH3-H3PO4, C:C9H14N4O1;NM+C', C:C9H12N4;NM+C'-H2O, C:C9H11N3O1;NM+C'-NH3, C:C14H18N3O7P1;NM+C-NH3-H2O, G:C5H9N1;NM, G:C15H23N6O8P1;NM+G, G:C15H21N6O7P1;NM+G-H2O, G:C15H20N5O8P1;NM+G-NH3, G:C15H22N6O5;NM+G-HPO3, G:C15H20N6O4;NM+G-H3PO4, G:C15H19N5O5;NM+G-NH3-HPO3, G:C15H17N5O4;NM+G-NH3-H3PO4, G:C10H14N6O1;NM+G', G:C10H12N6;NM+G'-H2O, G:C10H11N5O1;NM+G'-NH3, G:C15H18N5O7P1;NM+G-NH3-H2O, A:C5H9N1;NM, A:C15H23N6O7P1;NM+A, A:C15H21N6O6P1;NM+A-H2O, A:C15H20N5O7P1;NM+A-NH3, A:C15H22N6O4;NM+A-HPO3, A:C15H20N6O3;NM+A-H3PO4, A:C15H19N5O4;NM+A-NH3-HPO3, A:C15H17N5O3;NM+A-NH3-H3PO4, A:C10H14N6;NM+A', A:C10H11N5;NM+A'-NH3, A:C15H18N5O6P1;NM+A-NH3-H2O]
++++RNA-NM ExtendedPresets for RNA-NM Extended cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGA
modifications[U:+C5H9N1, U:+C5H9N1-HPO3, U:+C5H9N1-H2O, U:+C5H9N1-H3PO4, U:+C5H9N1-H2O-H2O, U:+C5H9N1-H3PO4-H2O, G:+C5H9N1, G:+C5H9N1-HPO3, G:+C5H9N1-H2O, G:+C5H9N1-H3PO4, G:+C5H9N1-H2O-H2O, G:+C5H9N1-H3PO4-H2O, G:+C5H9N1-NH3, G:+C5H9N1-NH3-H2O, G:+C5H9N1-NH3-HPO3, G:+C5H9N1-NH3-H3PO4, C:+C5H9N1, C:+C5H9N1-HPO3, C:+C5H9N1-H2O, C:+C5H9N1-H3PO4, C:+C5H9N1-H2O-H2O, C:+C5H9N1-H3PO4-H2O, C:+C5H9N1-NH3, C:+C5H9N1-NH3-H2O, C:+C5H9N1-NH3-HPO3, C:+C5H9N1-NH3-H3PO4, A:+C5H9N1, A:+C5H9N1-HPO3, A:+C5H9N1-H2O, A:+C5H9N1-H3PO4, A:+C5H9N1-NH3, A:+C5H9N1-NH3-H2O, A:+C5H9N1-NH3-HPO3, A:+C5H9N1-NH3-H3PO4]
fragment_adducts[U:C5H9N1;NM, U:C8H9N1O1;NM+C3O, U:C14H22N3O9P1;NM+U, U:C14H20N3O8P1;NM+U-H2O, U:C14H21N3O6;NM+U-HPO3, U:C14H19N3O5;NM+U-H3PO4, U:C9H13N3O2;NM+U', U:C9H11N3O1;NM+U'-H2O, C:C5H9N1;NM, C:C14H23N4O8P1;NM+C, C:C14H21N4O7P1;NM+C-H2O, C:C14H20N3O8P1;NM+C-NH3, C:C14H22N4O5;NM+C-HPO3, C:C14H20N4O4;NM+C-H3PO4, C:C14H19N3O5;NM+C-NH3-HPO3, C:C14H17N3O4;NM+C-NH3-H3PO4, C:C9H14N4O1;NM+C', C:C9H12N4;NM+C'-H2O, C:C9H11N3O1;NM+C'-NH3, C:C14H18N3O7P1;NM+C-NH3-H2O, G:C5H9N1;NM, G:C15H23N6O8P1;NM+G, G:C15H21N6O7P1;NM+G-H2O, G:C15H20N5O8P1;NM+G-NH3, G:C15H22N6O5;NM+G-HPO3, G:C15H20N6O4;NM+G-H3PO4, G:C15H19N5O5;NM+G-NH3-HPO3, G:C15H17N5O4;NM+G-NH3-H3PO4, G:C10H14N6O1;NM+G', G:C10H12N6;NM+G'-H2O, G:C10H11N5O1;NM+G'-NH3, G:C15H18N5O7P1;NM+G-NH3-H2O, A:C5H9N1;NM, A:C15H23N6O7P1;NM+A, A:C15H21N6O6P1;NM+A-H2O, A:C15H20N5O7P1;NM+A-NH3, A:C15H22N6O4;NM+A-HPO3, A:C15H20N6O3;NM+A-H3PO4, A:C15H19N5O4;NM+A-NH3-HPO3, A:C15H17N5O3;NM+A-NH3-H3PO4, A:C10H14N6;NM+A', A:C10H11N5;NM+A'-NH3, A:C15H18N5O6P1;NM+A-NH3-H2O]
++++RNA-NM Extended (+H2O)Presets for RNA-NM Extended (+H2O) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGA
modifications[U:+C5H9N1, U:+C5H9N1-HPO3, U:+C5H9N1-H2O, U:+C5H9N1-H3PO4, U:+C5H9N1-H2O-H2O, U:+C5H9N1-H3PO4-H2O, G:+C5H9N1, G:+C5H9N1-HPO3, G:+C5H9N1-H2O, G:+C5H9N1-H3PO4, G:+C5H9N1-H2O-H2O, G:+C5H9N1-H3PO4-H2O, G:+C5H9N1-NH3, G:+C5H9N1-NH3-H2O, G:+C5H9N1-NH3-HPO3, G:+C5H9N1-NH3-H3PO4, G:+C5H9N1+H2O, C:+C5H9N1, C:+C5H9N1-HPO3, C:+C5H9N1-H2O, C:+C5H9N1-H3PO4, C:+C5H9N1-H2O-H2O, C:+C5H9N1-H3PO4-H2O, C:+C5H9N1-NH3, C:+C5H9N1-NH3-H2O, C:+C5H9N1-NH3-HPO3, C:+C5H9N1-NH3-H3PO4, A:+C5H9N1, A:+C5H9N1-HPO3, A:+C5H9N1-H2O, A:+C5H9N1-H3PO4, A:+C5H9N1-NH3, A:+C5H9N1-NH3-H2O, A:+C5H9N1-NH3-HPO3, A:+C5H9N1-NH3-H3PO4, A:+C5H9N1+H2O]
fragment_adducts[U:C5H9N1;NM, U:C8H9N1O1;NM+C3O, U:C14H22N3O9P1;NM+U, U:C14H20N3O8P1;NM+U-H2O, U:C14H21N3O6;NM+U-HPO3, U:C14H19N3O5;NM+U-H3PO4, U:C9H13N3O2;NM+U', U:C9H11N3O1;NM+U'-H2O, C:C5H9N1;NM, C:C14H23N4O8P1;NM+C, C:C14H21N4O7P1;NM+C-H2O, C:C14H20N3O8P1;NM+C-NH3, C:C14H22N4O5;NM+C-HPO3, C:C14H20N4O4;NM+C-H3PO4, C:C14H19N3O5;NM+C-NH3-HPO3, C:C14H17N3O4;NM+C-NH3-H3PO4, C:C9H14N4O1;NM+C', C:C9H12N4;NM+C'-H2O, C:C9H11N3O1;NM+C'-NH3, C:C14H18N3O7P1;NM+C-NH3-H2O, G:C5H9N1;NM, G:C15H23N6O8P1;NM+G, G:C15H21N6O7P1;NM+G-H2O, G:C15H25N6O9P1;NM+G+H2O, G:C15H20N5O8P1;NM+G-NH3, G:C15H22N6O5;NM+G-HPO3, G:C15H20N6O4;NM+G-H3PO4, G:C15H19N5O5;NM+G-NH3-HPO3, G:C15H17N5O4;NM+G-NH3-H3PO4, G:C10H14N6O1;NM+G', G:C10H12N6;NM+G'-H2O, G:C10H16N6O2;NM+G'+H2O, G:C10H11N5O1;NM+G'-NH3, G:C15H18N5O7P1;NM+G-NH3-H2O, A:C5H9N1;NM, A:C15H23N6O7P1;NM+A, A:C15H21N6O6P1;NM+A-H2O, A:C15H25N6O8P1;NM+A+H2O, A:C15H20N5O7P1;NM+A-NH3, A:C15H22N6O4;NM+A-HPO3, A:C15H20N6O3;NM+A-H3PO4, A:C15H19N5O4;NM+A-NH3-HPO3, A:C15H17N5O3;NM+A-NH3-H3PO4, A:C10H14N6;NM+A', A:C10H11N5;NM+A'-NH3, A:C10H16N6O;NM+A'+H2O, A:C15H18N5O6P1;NM+A-NH3-H2O]
++++RNA-SDAPresets for RNA-SDA cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P, s=C5H6O1]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGAs
standalones
localizationNHS
modifications[U:+C5H6O1, U:+C5H6O1-H2O, U:+C5H6O1-NH3, G:+C5H6O1, G:+C5H6O1-H2O, G:+C5H6O1-NH3, C:+C5H6O1, C:+C5H6O1-H2O, C:+C5H6O1-NH3, A:+C5H6O1, A:+C5H6O1-H2O, A:+C5H6O1-NH3, s:, s:+H2O, s:+H3PO4]
fragment_adducts[U:C5H6O1;SDA, U:C8H6O2;SDA+C3O, U:C9H10N2O3;SDA+U', U:C9H8N2O2;SDA+U'-H2O, U:C14H19N2O10P1;SDA+U, U:C14H17N2O9P1;SDA+U-H2O, U:C14H18N2O7;SDA+U-HPO3, U:C14H16N2O6;SDA+U-H3PO4, G:C5H6O1;SDA, G:C10H11N5O2;SDA+G', G:C10H9N5O1;SDA+G'-H2O, G:C10H8N4O2;SDA+G'-NH3, G:C15H20N5O9P1;SDA+G, G:C15H18N5O8P1;SDA+G-H2O, G:C15H17N4O9P1;SDA+G-NH3, G:C15H19N5O6;SDA+G-HPO3, G:C15H17N5O5;SDA+G-H3PO4, G:C15H16N4O6;SDA+G-NH3-HPO3, G:C15H14N4O5;SDA+G-NH3-H3PO4, G:C15H15N4O8P1;SDA+G-NH3-H2O, C:C5H6O1;SDA, C:C9H11N3O2;SDA+C', C:C9H9N3O1;SDA+C'-H2O, C:C9H8N2O2;SDA+C'-NH3, C:C14H20N3O9P1;SDA+C, C:C14H18N3O8P1;SDA+C-H2O, C:C14H17N2O9P1;SDA+C-NH3, C:C14H19N3O6;SDA+C-HPO3, C:C14H17N3O5;SDA+C-H3PO4, C:C14H16N2O6;SDA+C-NH3-HPO3, C:C14H14N2O5;SDA+C-NH3-H3PO4, C:C14H15N2O8P1;SDA+C-NH3-H2O, A:C5H6O1;SDA, A:C10H11N5O1;SDA+A', A:C10H8N4O1;SDA+A'-NH3, A:C15H20N5O8P1;SDA+A, A:C15H18N5O7P1;SDA+A-H2O, A:C15H17N4O8P1;SDA+A-NH3, A:C15H19N5O5;SDA+A-HPO3, A:C15H17N5O4;SDA+A-H3PO4, A:C15H16N4O5;SDA+A-NH3-HPO3, A:C15H14N4O4;SDA+A-NH3-H3PO4, A:C15H15N4O7P1;SDA+A-NH3-H2O, s:C5H6O1;SDA, s:C5H8O2;SDA+H2O, s:C5H9O5P1;SDA+H3PO4]
++++RNA-UV (4SU)Presets for RNA-UV (4SU) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P, S=C9H13N2O8PS]
mapping[A->A, C->C, G->G, U->U, S->S]
can_cross_linkS
modifications[S:, S:-H2O, S:-H2S, S:-C5H8O4, S:-C5H8O4-H2O, S:-C5H8O4-H2S]
fragment_adducts[S:C9H10N2O5;tU-H2S, S:C4H2N2O1;tU'-H2S, U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]
++++RNA-UV (6SG)Presets for RNA-UV (6SG) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P, X=C10H14N5O7PS]
mapping[A->A, C->C, G->G, U->U, X->X]
can_cross_linkX
modifications[X:, X:-H2O, X:-H2S, X:-C5H8O4, X:-C5H8O4-H2O, X:-C5H8O4-H2S]
fragment_adducts[X:C10H11N5O4;tG-H2S, X:C5H3N5;tG'-H2S, U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]
++++RNA-UV (U)Presets for RNA-UV (U) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkU
modifications[U:, U:-H2O, C:, C:-H2O, C:-NH3, G:, G:-H2O, G:-NH3, A:, A:-NH3]
fragment_adducts[U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]
++++RNA-UV (UCGA)Presets for RNA-UV (UCGA) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGA
modifications[U:, U:-H2O, C:, C:-H2O, C:-NH3, G:, G:-H2O, G:-NH3, A:, A:-NH3]
fragment_adducts[U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]
++++RNA-UV Extended (4SU)Presets for RNA-UV Extended (4SU) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P, S=C9H13N2O8PS]
mapping[A->A, C->C, G->G, U->U, S->S]
can_cross_linkS
modifications[S:, S:-H2O, S:-H3PO4, S:-HPO3, S:-H2S, S:+HPO3-H2S, S:-HPO3-H2S, S:+HPO3, S:-C5H8O4, S:-C5H8O4-H2O, S:-C5H8O4-H3PO4, S:-C5H8O4-HPO3, S:-C5H8O4-HPO3-H2S, S:-C5H8O4-H2S]
fragment_adducts[S:C9H10N2O5;tU-H2S, S:C4H2N2O1;tU'-H2S, U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]
++++RNA-UV Extended (6SG)Presets for RNA-UV Extended (6SG) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P, X=C10H14N5O7PS]
mapping[A->A, C->C, G->G, U->U, X->X]
can_cross_linkX
modifications[X:, X:-H2O, X:-H3PO4, X:-HPO3, X:-H2S, X:-HPO3-H2S, X:-C5H8O4, X:-C5H8O4-H2O, X:-C5H8O4-HPO3, X:-C5H8O4-HPO3-H2S, X:-C5H8O4-H2S]
fragment_adducts[X:C10H11N5O4;tG-H2S, X:C5H3N5;tG'-H2S, U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]
++++RNA-UV Extended (U)Presets for RNA-UV Extended (U) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkU
modifications[U:, U:-H2O, U:-HPO3, U:-H3PO4, U:-HPO3-C2H3NO, C:, C:-NH3, C:-H2O, C:-HPO3, C:-H3PO4, C:-NH3-H2O, C:-NH3-HPO3, C:-NH3-H3PO4, G:, G:-H2O, G:-NH3, G:-HPO3, G:-H3PO4, G:-NH3-H2O, G:-NH3-HPO3, G:-NH3-H3PO4, A:, A:-H2O, A:-HPO3, A:-H3PO4, A:-NH3, A:-NH3-H2O, A:-NH3-HPO3, A:-NH3-H3PO4]
fragment_adducts[U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]
++++RNA-UV Extended (UCGA)Presets for RNA-UV Extended (UCGA) cross-link protocol (Note: changes will be ignored).
target_nucleotides[A=C10H14N5O7P, C=C9H14N3O8P, G=C10H14N5O8P, U=C9H13N2O9P]
mapping[A->A, C->C, G->G, U->U]
can_cross_linkUCGA
modifications[U:, U:-H2O, U:-HPO3, U:-H3PO4, U:-HPO3-C2H3NO, C:, C:-NH3, C:-H2O, C:-HPO3, C:-H3PO4, C:-NH3-H2O, C:-NH3-HPO3, C:-NH3-H3PO4, G:, G:-H2O, G:-NH3, G:-HPO3, G:-H3PO4, G:-NH3-H2O, G:-NH3-HPO3, G:-NH3-H3PO4, A:, A:-H2O, A:-HPO3, A:-H3PO4, A:-NH3, A:-NH3-H2O, A:-NH3-HPO3, A:-NH3-H3PO4]
fragment_adducts[U:C3O;C3O, U:C4H4N2O2;U', U:C4H2N2O1;U'-H2O, U:C9H13N2O9P1;U, U:C9H11N2O8P1;U-H2O, U:C9H12N2O6;U-HPO3, U:C9H10N2O5;U-H3PO4, C:C4H5N3O;C', C:C4H3N3;C'-H2O, C:C4H2N2O;C'-NH3, C:C9H14N3O8P;C, C:C9H11N2O8P;C-NH3, C:C9H12N3O7P;C-H2O, C:C9H9N2O7P;C-NH3-H2O, C:C9H13N3O5;C-HPO3, C:C9H11N3O4;C-H3PO4, C:C9H10N2O5;C-NH3-HPO3, C:C9H8N2O4;C-NH3-H3PO4, G:C5H5N5O;G', G:C5H3N5;G'-H2O, G:C5H2N4O;G'-NH3, G:C10H14N5O8P;G, G:C10H12N5O7P;G-H2O, G:C10H11N4O8P;G-NH3, G:C10H9N4O7P;G-NH3-H2O, G:C10H13N5O5;G-HPO3, G:C10H11N5O4;G-H3PO4, G:C10H10N4O5;G-NH3-HPO3, G:C10H8N4O4;G-NH3-H3PO4, A:C5H5N5;A', A:C5H2N4;A'-NH3, A:C10H14N5O7P;A, A:C10H12N5O6P;A-H2O, A:C10H11N4O7P;A-NH3, A:C10H9N4O6P;A-NH3-H2O, A:C10H13N5O4;A-HPO3, A:C10H11N5O3;A-H3PO4, A:C10H10N4O4;A-NH3-HPO3, A:C10H8N4O3;A-NH3-H3PO4]