| OpenMS 2.5.0

LuciphorAdapter

Adapter for the LuciPHOr2: a site localisation tool of generic post-translational modifications from tandem mass spectrometry data.

pot. predecessor tools | LuciphorAdapter | pot. successor tools
IDFileConverter | IDFilter or any protein/peptide processing tool

LuciPHOr2 must be installed before this wrapper can be used. Please make sure that Java and LuciPHOr2 are working.
The following LuciPHOr2 version is required: luciphor2 (JAVA-based version of Luciphor) (1.2014Oct10). At the time of writing, it could be downloaded from http://luciphor2.sourceforge.net.

Input spectra for LuciPHOr2 have to be in pepXML file format. The input mzML file must be the same as the one used to create the pepXML input file.

The command line parameters of this tool are:

    LuciphorAdapter -- Modification site localisation using LuciPHOr2.

    Full documentation: http://www.openms.de/documentation/TOPP_LuciphorAdapter.html

    Version: 2.5.0-GIT-NOTFOUND-GIT-NOTFOUND Sep 10 2020, 12:20:39, Revision: GIT-NOTFOUND

    To cite OpenMS:

      Rost HL, Sachsenberg T, Aiche S, Bielow C et al.. OpenMS: a flexible open-source software platform for mass spectrometry data analysis. Nat Meth. 2016; 13, 9: 741-748. doi:10.1038/nmeth.3959.

    Usage:

      LuciphorAdapter <options>

    Options (mandatory options marked with '*'):

      -in <file>*                        Input spectrum file (valid formats: 'mzML')

      -id <file>*                        Protein/peptide identifications file (valid formats: 'idXML')

      -out <file>*                       Output file (valid formats: 'idXML')

      -executable <file>*                LuciPHOr2 .jar file. Provide a full or relative path, or make sure it

                                         can be found in your PATH environment.

      -fragment_method <choice>          Fragmentation method (default: 'CID' valid: 'CID', 'HCD')

      -fragment_mass_tolerance <value>   Tolerance of the peaks in the fragment spectrum (default: '0.5')

      -fragment_error_units <choice>     Unit of fragment mass tolerance (default: 'Da' valid: 'Da', 'ppm')

      -min_mz <value>                    Do not consider peaks below this value for matching fragment ions (defau

                                         lt: '150.0')

      -target_modifications <mods>       List the amino acids to be searched for and their mass modifications,

                                         specified using UniMod (www.unimod.org) terms, e.g. 'Carbamidomethyl

                                         (C)' (default: '[Phospho (S) Phospho (T) Phospho (Y)]' valid: '15N-oxobu

                                         tanoic (N-term C)', '15N-oxobutanoic (Protein N-term S)', '15N-oxobutano

                                         ic (Protein N-term T)', '2-dimethylsuccinyl (C)', '2-monomethylsuccinyl

                                         (C)', '2-nitrobenzyl (Y)', '2-succinyl (C)', '2HPG (R)', '3-deoxyglucoso

                                         ne (R)', '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

                                         ...

                                         , 'Xlink:SMCC (C)', 'Xlink:SSD (K)', 'ZGB (K)', 'ZGB (N-term)')

      -neutral_losses <value>            List the types of neutral losses that you want to consider. The residue

                                         field is case sensitive. For example: lower case 'sty' implies that the

                                         neutral loss can only occur if the specified modification is present.

                                         Syntax: NL = <RESDIUES> -<NEUTRAL_LOSS_MOLECULAR_FORMULA> <MASS_LOST>

                                         (default: '[sty -H3PO4 -97.97690]')

      -decoy_mass <value>                How much to add to an amino acid to make it a decoy (default: '79.966330

                                         999999997' min: '1.0')

      -decoy_neutral_losses <value>      For handling the neutral loss from a decoy sequence. The syntax for this

                                         is identical to that of the normal neutral losses given above except

                                         that the residue is always 'X'. Syntax: DECOY_NL = X -<NEUTRAL_LOSS_MOLE

                                         CULAR_FORMULA> <MASS_LOST> (default: '[X -H3PO4 -97.97690]')

      -max_charge_state <num>            Do not consider PSMs with a charge state above this value (default: '5'

                                         min: '1')

      -max_peptide_length <num>          Restrict scoring to peptides with a length shorter than this value (defa

                                         ult: '40' min: '1')

      -max_num_perm <num>                Maximum number of permutations a sequence can have (default: '16384'

                                         min: '1')

      -modeling_score_threshold <value>  Minimum score a PSM needs to be considered for modeling (default: '0.95'

                                         min: '0.0')

      -scoring_threshold <value>         PSMs below this value will be discarded (default: '0.0' min: '0.0')

      -min_num_psms_model <num>          The minimum number of PSMs you need for any charge state in order to

                                         build a model for it (default: '50' min: '1')

      -num_threads <num>                 For multi-threading, 0 = use all CPU found by JAVA (default: '6' min:

                                         '0')

      -run_mode <choice>                 Determines how Luciphor will run: 0 = calculate FLR then rerun scoring

                                         without decoys (two iterations), 1 = Report Decoys: calculate FLR but

                                         don't rescore PSMs, all decoy hits will be reported (default: '0' valid:

                                         '0', '1')

      -rt_tolerance <num>                Set the retention time tolerance (for the mapping of identifications to

                                         spectra in case multiple search engines were used) (default: '0.01' min:

                                         '0.0')

      -java_executable <file>            The Java executable. Usually Java is on the system PATH. If Java is not

                                         found, use this parameter to specify the full path to Java

      -java_memory <num>                 Maximum Java heap size (in MB) (default: '3500')

    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 (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
+LuciphorAdapter Modification site localisation using LuciPHOr2.
version 2.5.0-GIT-NOTFOUND-GIT-NOTFOUND Version of the tool that generated this parameters file.
++1 Instance '1' section for 'LuciphorAdapter'
in Input spectrum file input file*.mzML
id Protein/peptide identifications file input file*.idXML
out Output file output file*.idXML
executable luciphor2.jar LuciPHOr2 .jar file. Provide a full or relative path, or make sure it can be found in your PATH environment.input file
fragment_method CID Fragmentation method CID,HCD
fragment_mass_tolerance 0.5 Tolerance of the peaks in the fragment spectrum
fragment_error_units Da Unit of fragment mass tolerance Da,ppm
min_mz 150.0 Do not consider peaks below this value for matching fragment ions
target_modifications[Phospho (S), Phospho (T), Phospho (Y)] List the amino acids to be searched for and their mass 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-monomethylsuccinyl (C),2-nitrobenzyl (Y),2-succinyl (C),2HPG (R),3-deoxyglucosone (R),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),a-type-ion (C-term),AccQTag (K),AccQTag (N-term),Acetyl (C),Acetyl (H),Acetyl (K),Acetyl (N-term),Acetyl (Protein N-term),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),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),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),Atto495Maleimide (C),azole (C),azole (S),Bacillosamine (N),BADGE (C),BDMAPP (H),BDMAPP (K),BDMAPP (Protein N-term),BDMAPP (W),BDMAPP (Y),Benzoyl (K),Benzoyl (N-term),benzylguanidine (K),beta FNA (C),beta FNA (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 (Y),Biotin:Cayman-10013 (C),Biotin:Cayman-10141 (C),Biotin:Invitrogen-M1602 (C),Biotin:Sigma-B1267 (C),Biotin:Thermo-21325 (K),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),BMOE (C),BMP-piperidinol (C),BMP-piperidinol (M),Bodipy (C),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 (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),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: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: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 (Y),Chlorpyrifos (S),Chlorpyrifos (T),Chlorpyrifos (Y),Cholesterol (Protein C-term),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),DAET (S),DAET (T),Dansyl (K),Dansyl (N-term),Dap-DSP (A),Dap-DSP (E),Dap-DSP (K),Deamidated (N),Deamidated (Protein N-term F),Deamidated (Q),Deamidated (R),Deamidated:18O(1) (N),Deamidated:18O(1) (Q),Decanoyl (S),Decanoyl (T),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(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(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(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: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),DFDNB (K),DFDNB (N),DFDNB (Q),DFDNB (R),dHex (N),dHex 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(N),dHex(1)Hex(4)HexNAc(3)Sulf(1) (N),dHex(1)Hex(4)HexNAc(4) (N),dHex(1)Hex(4)HexNAc(4) (S),dHex(1)Hex(4)HexNAc(4) (T),dHex(1)Hex(4)HexNAc(4)NeuAc(1) (N),dHex(1)Hex(4)HexNAc(4)NeuAc(1) (S),dHex(1)Hex(4)HexNAc(4)NeuAc(1) (T),dHex(1)Hex(4)HexNAc(4)NeuAc(1)Sulf(1) (N),dHex(1)Hex(4)HexNAc(4)Pent(1) (N),dHex(1)Hex(4)HexNAc(4)Sulf(1) (N),dHex(1)Hex(4)HexNAc(5) (N),dHex(1)Hex(4)HexNAc(5)Sulf(1) (N),dHex(1)Hex(5) (S),dHex(1)Hex(5) (T),dHex(1)Hex(5)HexA(1)HexNAc(3)Sulf(1) (N),dHex(1)Hex(5)HexA(1)HexNAc(3)Sulf(2) (N),dHex(1)Hex(5)HexNAc(2) (N),dHex(1)Hex(5)HexNAc(2)Pent(1) (N),dHex(1)Hex(5)HexNAc(3) (N),dHex(1)Hex(5)HexNAc(3)NeuAc(1) (N),dHex(1)Hex(5)HexNAc(3)NeuAc(1)Sulf(1) (N),dHex(1)Hex(5)HexNAc(3)NeuGc(1) (N),dHex(1)Hex(5)HexNAc(3)NeuGc(1)Sulf(1) (N),dHex(1)Hex(5)HexNAc(3)Sulf(1) (N),dHex(1)Hex(5)HexNAc(4) (N),dHex(1)Hex(5)HexNAc(4)Me(2)Pent(1) (N),dHex(1)Hex(5)HexNAc(4)NeuAc(1) (N),dHex(1)Hex(5)HexNAc(4)NeuAc(2) (N),dHex(1)Hex(5)HexNAc(4)Pent(1) (N),dHex(1)Hex(5)HexNAc(4)Sulf(1) (N),dHex(1)Hex(5)HexNAc(4)Sulf(2) (N),dHex(1)Hex(5)HexNAc(5) (N),dHex(1)Hex(6) (S),dHex(1)Hex(6) (T),dHex(1)Hex(6)HexNAc(2) (N),dHex(1)Hex(6)HexNAc(3) (N),dHex(1)Hex(6)HexNAc(3)Sulf(1) (N),dHex(1)Hex(6)HexNAc(4) (N),dHex(1)Hex(7)HexNAc(2) (N),dHex(1)Hex(7)HexNAc(3) (N),dHex(1)Hex(7)HexNAc(3)Phos(1) (N),dHex(1)Hex(7)HexNAc(3)Sulf(1) (N),dHex(1)Hex(7)HexNAc(4) (N),dHex(1)HexNAc(3) (S),dHex(1)HexNAc(3) (T),dHex(1)HexNAc(4) (S),dHex(1)HexNAc(4) (T),dHex(1)HexNAc(5) (S),dHex(1)HexNAc(5) (T),dHex(2)Hex(1)HexNAc(1)Kdn(1) (S),dHex(2)Hex(1)HexNAc(1)Kdn(1) (T),dHex(2)Hex(1)HexNAc(2)Kdn(1) (S),dHex(2)Hex(1)HexNAc(2)Kdn(1) (T),dHex(2)Hex(1)HexNAc(2)NeuAc(1) (S),dHex(2)Hex(1)HexNAc(2)NeuAc(1) (T),dHex(2)Hex(1)HexNAc(2)NeuGc(1) (S),dHex(2)Hex(1)HexNAc(2)NeuGc(1) (T),dHex(2)Hex(1)HexNAc(3) (S),dHex(2)Hex(1)HexNAc(3) (T),dHex(2)Hex(2) (S),dHex(2)Hex(2) (T),dHex(2)Hex(2)HexA(1) (S),dHex(2)Hex(2)HexA(1) (T),dHex(2)Hex(2)HexA(1)HexNAc(1) (S),dHex(2)Hex(2)HexA(1)HexNAc(1) (T),dHex(2)Hex(2)HexA(1)HexNAc(2)Sulf(1) (S),dHex(2)Hex(2)HexA(1)HexNAc(2)Sulf(1) (T),dHex(2)Hex(2)HexNAc(1) (S),dHex(2)Hex(2)HexNAc(1) (T),dHex(2)Hex(2)HexNAc(2) (N),dHex(2)Hex(2)HexNAc(2) (S),dHex(2)Hex(2)HexNAc(2) (T),dHex(2)Hex(2)HexNAc(2)Kdn(1) (S),dHex(2)Hex(2)HexNAc(2)Kdn(1) (T),dHex(2)Hex(2)HexNAc(2)NeuAc(1) (S),dHex(2)Hex(2)HexNAc(2)NeuAc(1) (T),dHex(2)Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (S),dHex(2)Hex(2)HexNAc(2)NeuAc(1)Sulf(1) (T),dHex(2)Hex(2)HexNAc(2)NeuGc(1) (S),dHex(2)Hex(2)HexNAc(2)NeuGc(1) (T),dHex(2)Hex(2)HexNAc(2)Sulf(1) (S),dHex(2)Hex(2)HexNAc(2)Sulf(1) (T),dHex(2)Hex(2)HexNAc(2)Sulf(2) (S),dHex(2)Hex(2)HexNAc(2)Sulf(2) (T),dHex(2)Hex(2)HexNAc(3) (N),dHex(2)Hex(2)HexNAc(3) (S),dHex(2)Hex(2)HexNAc(3) (T),dHex(2)Hex(2)HexNAc(3)NeuAc(1) (S),dHex(2)Hex(2)HexNAc(3)NeuAc(1) (T),dHex(2)Hex(2)HexNAc(3)NeuGc(1) (S),dHex(2)Hex(2)HexNAc(3)NeuGc(1) (T),dHex(2)Hex(2)HexNAc(3)Sulf(1) (S),dHex(2)Hex(2)HexNAc(3)Sulf(1) (T),dHex(2)Hex(2)HexNAc(4) (S),dHex(2)Hex(2)HexNAc(4) (T),dHex(2)Hex(2)HexNAc(5) (S),dHex(2)Hex(2)HexNAc(5) (T),dHex(2)Hex(3) (S),dHex(2)Hex(3) (T),dHex(2)Hex(3)HexA(1)HexNAc(1)Sulf(1) (S),dHex(2)Hex(3)HexA(1)HexNAc(1)Sulf(1) (T),dHex(2)Hex(3)HexA(1)HexNAc(2)Sulf(1) (S),dHex(2)Hex(3)HexA(1)HexNAc(2)Sulf(1) (T),dHex(2)Hex(3)HexA(1)HexNAc(3)Sulf(1) (S),dHex(2)Hex(3)HexA(1)HexNAc(3)Sulf(1) (T),dHex(2)Hex(3)HexNAc(1)Sulf(1) (S),dHex(2)Hex(3)HexNAc(1)Sulf(1) (T),dHex(2)Hex(3)HexNAc(2) (N),dHex(2)Hex(3)HexNAc(2) (S),dHex(2)Hex(3)HexNAc(2) (T),dHex(2)Hex(3)HexNAc(2)NeuGc(1) (S),dHex(2)Hex(3)HexNAc(2)NeuGc(1) (T),dHex(2)Hex(3)HexNAc(2)Sulf(1) (S),dHex(2)Hex(3)HexNAc(2)Sulf(1) (T),dHex(2)Hex(3)HexNAc(3) (N),dHex(2)Hex(3)HexNAc(3) (S),dHex(2)Hex(3)HexNAc(3) (T),dHex(2)Hex(3)HexNAc(3)NeuAc(1) (S),dHex(2)Hex(3)HexNAc(3)NeuAc(1) (T),dHex(2)Hex(3)HexNAc(3)NeuAc(2) (S),dHex(2)Hex(3)HexNAc(3)NeuAc(2) (T),dHex(2)Hex(3)HexNAc(3)NeuGc(1) (S),dHex(2)Hex(3)HexNAc(3)NeuGc(1) (T),dHex(2)Hex(3)HexNAc(3)Pent(1) (N),dHex(2)Hex(3)HexNAc(3)Pent(2) (N),dHex(2)Hex(3)HexNAc(4) (N),dHex(2)Hex(3)HexNAc(4) (S),dHex(2)Hex(3)HexNAc(4) (T),dHex(2)Hex(3)HexNAc(4)Pent(1) (N),dHex(2)Hex(3)HexNAc(4)Pent(2) (N),dHex(2)Hex(3)HexNAc(5) (S),dHex(2)Hex(3)HexNAc(5) (T),dHex(2)Hex(3)HexNAc(6) (N),dHex(2)Hex(4) (S),dHex(2)Hex(4) (T),dHex(2)Hex(4)HexA(1)HexNAc(3)Sulf(1) (S),dHex(2)Hex(4)HexA(1)HexNAc(3)Sulf(1) (T),dHex(2)Hex(4)HexNAc(1) (S),dHex(2)Hex(4)HexNAc(1) (T),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(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(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(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),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),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),DimethylArsino (C),DimethylpyrroleAdduct (K),Dioxidation (C),Dioxidation (F),Dioxidation (K),Dioxidation (M),Dioxidation (P),Dioxidation (R),Dioxidation (U),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),DTBP (K),DTBP (N),DTBP (Protein N-term),DTBP (Q),DTBP (R),DTT_C (C),DTT_C:2H(6) (C),DTT_ST (S),DTT_ST (T),DTT_ST:2H(6) (S),DTT_ST:2H(6) (T),DyLight-maleimide (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),Ethoxyformyl (H),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),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),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 (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->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 (N-term E),Glu->pyro-Glu+Methyl:2H(2)13C (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),Glutathione (C),Gly (K),Gly (S),Gly (T),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),GlycerylPE (E),glycidamide (K),glycidamide (N-term),Glycosyl (P),GPIanchor (Protein C-term),Guanidinyl (K),Guanidinyl (N-term),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)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)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(10)Phos(3) (S),Hex(10)Phos(3) (T),Hex(2) (K),Hex(2) (R),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) (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)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)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) (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) (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(3) (N),Hex(3) (S),Hex(3) (T),Hex(3)HexNAc(1) (S),Hex(3)HexNAc(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)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) (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)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)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(3)Phos(1) (S),Hex(3)Phos(1) (T),Hex(4) (S),Hex(4) (T),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)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)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)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)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(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)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)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)HexNAc(2) (N),Hex(9)Phos(3) (S),Hex(9)Phos(3) (T),HexN (K),HexN (N),HexN (S),HexN (T),HexN (W),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(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->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+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),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),iTRAQ4plex (H),iTRAQ4plex (K),iTRAQ4plex (N-term),iTRAQ4plex (Protein N-term),iTRAQ4plex (S),iTRAQ4plex (T),iTRAQ4plex (Y),iTRAQ4plex114 (K),iTRAQ4plex114 (N-term),iTRAQ4plex114 (Y),iTRAQ4plex115 (K),iTRAQ4plex115 (N-term),iTRAQ4plex115 (Y),iTRAQ8plex (H),iTRAQ8plex (K),iTRAQ8plex (N-term),iTRAQ8plex (Protein N-term),iTRAQ8plex (S),iTRAQ8plex (T),iTRAQ8plex (Y),iTRAQ8plex:13C(6)15N(2) (K),iTRAQ8plex:13C(6)15N(2) (N-term),iTRAQ8plex:13C(6)15N(2) (Y),Label:13C(1)2H(3) (M),Label:13C(1)2H(3)+Oxidation (M),Label:13C(2)15N(2) (K),Label:13C(3) (A),Label:13C(3)15N(1) (A),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(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) (F),Label:2H(4) (K),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),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 (K),LG-pyrrole (N-term),Lipoyl (K),LRGG (K),LRGG+dimethyl (K),LRGG+methyl (K),Lys (N-term),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 (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 (S),MDCC (C),Menadione (C),Menadione (K),Menadione-HQ (C),Menadione-HQ (K),MercaptoEthanol (S),MercaptoEthanol (T),Met->Aha (M),Met->Ala (M),Met->Arg (M),Met->Asn (M),Met->Asp (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),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),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),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),NA-LNO2 (C),NA-LNO2 (H),NA-OA-NO2 (C),NA-OA-NO2 (H),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),Nitro (W),Nitro (Y),Nitrosyl (C),Nmethylmaleimide (C),Nmethylmaleimide (K),Nmethylmaleimide+water (C),NO_SMX_SEMD (C),NO_SMX_SIMD (C),NO_SMX_SMCT (C),NP40 (N-term),NQIGG (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 (F),Oxidation (H),Oxidation (K),Oxidation (M),Oxidation (N),Oxidation (P),Oxidation (R),Oxidation (U),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),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),Phenylisocyanate (N-term),Phenylisocyanate:2H(5) (N-term),phenylsulfonylethyl (C),Phospho (C),Phospho (D),Phospho (H),Phospho (K),Phospho (R),Phospho (S),Phospho (T),Phospho (Y),Phosphoadenosine (H),Phosphoadenosine (K),Phosphoadenosine (T),Phosphoadenosine (Y),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),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->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),pyrophospho (S),pyrophospho (T),PyruvicAcidIminyl (K),PyruvicAcidIminyl (Protein N-term C),PyruvicAcidIminyl (Protein N-term V),QAT (C),QAT:2H(3) (C),QEQTGG (K),QQQTGG (K),QTGG (K),Quinone (W),Quinone (Y),Retinylidene (K),RNPXL (N-term K),RNPXL (N-term R),RNPXlink1 (C),RNPXlink2 (F),RNPXlink2 (K),RNPXlink2 (L),RNPXlink3 (C),RNPXlink3 (F),RNPXlink4 (C),RNPXlink5 (F),RNPXlink5 (Y),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),SMA (K),SMA (N-term),SMCC-maleimide (C),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 (N-term C),Thioacyl (K),Thioacyl (X),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),TMAB (K),TMAB (N-term),TMAB:2H(9) (K),TMAB:2H(9) (N-term),TMPP-Ac (N-term),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),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 (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-amide (C),Ub-Br2 (C),Ub-fluorescein (C),Ub-VME (C),UgiJoullie (D),UgiJoullie (E),UgiJoullieProGly (D),UgiJoullieProGly (E),UgiJoullieProGlyProGly (D),UgiJoullieProGlyProGly (E),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),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:DMP (K),Xlink:DMP (Protein N-term),Xlink:DMP-de (K),Xlink:DMP-de (Protein N-term),Xlink:DMP-s (K),Xlink:DMP-s (Protein N-term),Xlink:DSS (K),Xlink:DSS (Protein N-term),Xlink:DSS-NH2 (K),Xlink:DSS-NH2 (Protein N-term),Xlink:DST (K),Xlink:DST (Protein N-term),Xlink:DTSSP (K),Xlink:DTSSP (Protein N-term),Xlink:EGS (K),Xlink:EGS (Protein N-term),Xlink:EGScleaved (K),Xlink:EGScleaved (Protein N-term),Xlink:SMCC (C),Xlink:SSD (K),ZGB (K),ZGB (N-term)
neutral_losses[sty -H3PO4 -97.97690] List the types of neutral losses that you want to consider. The residue field is case sensitive. For example: lower case 'sty' implies that the neutral loss can only occur if the specified modification is present. Syntax: NL = -
decoy_mass 79.966330999999997 How much to add to an amino acid to make it a decoy 1.0:∞
decoy_neutral_losses[X -H3PO4 -97.97690] For handling the neutral loss from a decoy sequence. The syntax for this is identical to that of the normal neutral losses given above except that the residue is always 'X'. Syntax: DECOY_NL = X -
max_charge_state 5 Do not consider PSMs with a charge state above this value 1:∞
max_peptide_length 40 Restrict scoring to peptides with a length shorter than this value 1:∞
max_num_perm 16384 Maximum number of permutations a sequence can have 1:∞
modeling_score_threshold 0.95 Minimum score a PSM needs to be considered for modeling 0.0:∞
scoring_threshold 0.0 PSMs below this value will be discarded 0.0:∞
min_num_psms_model 50 The minimum number of PSMs you need for any charge state in order to build a model for it 1:∞
num_threads 6 For multi-threading, 0 = use all CPU found by JAVA 0:∞
run_mode 0 Determines how Luciphor will run: 0 = calculate FLR then rerun scoring without decoys (two iterations), 1 = Report Decoys: calculate FLR but don't rescore PSMs, all decoy hits will be reported 0,1
rt_tolerance 0.01 Set the retention time tolerance (for the mapping of identifications to spectra in case multiple search engines were used)0.0:∞
java_executable java The Java executable. Usually Java is on the system PATH. If Java is not found, use this parameter to specify the full path to Java input file
java_memory 3500 Maximum Java heap size (in MB)
java_permgen 0 Maximum Java permanent generation space (in MB); only for Java 7 and below
log Name of log file (created only when specified)
debug 0 Sets the debug level
threads 1 Sets the number of threads allowed to be used by the TOPP tool
no_progress false Disables progress logging to command line true,false
force false Overwrite tool specific checks.true,false
test false Enables the test mode (needed for internal use only)true,false