MTD mzTab-version 1.0 MTD mzTab-mode Complete MTD mzTab-type Identification MTD description BreastCancerMem_JPST000201 MTD ms_run[1]-location D:\JobRequest\ResultFiles\20190823\20190823194025297340^10.242.132.48^taba@jp\PeakList.PeakListMergePreMS2_CH_1\BreastCancerMem_Fr2.HCD.mqWzd.txt MTD ms_run[2]-location D:\JobRequest\ResultFiles\20190823\20190823194025297340^10.242.132.48^taba@jp\Psearch.MaxQuantExec1\BreastCancerMem_Fr2.maxqFin.txt MTD software[1] [MS, MS:1001583, MaxQuant, 1.6.2.10] MTD software[1]-setting Taxon=userFasta.sprot_human_mix_20181121 MTD software[1]-setting enzymes=Trypsin+Lys-C MTD software[1]-setting enzymeMode=0 MTD software[1]-setting fixedModifications=Carbamidomethyl (C),iTRAQ4plex (K),iTRAQ4plex (N-term) MTD software[1]-setting variableModifications=iTRAQ4plex (Y),Oxidation (M) MTD software[1]-setting maxMissedCleavages=1 MTD software[1]-setting lcmsRunType=Standard MTD software[1]-setting firstSearchTol=20 MTD software[1]-setting mainSearchTol=4.5 MTD software[2] [MS, MS:1001476, X!Tandem, 2015.04.01.1] MTD software[2]-setting DB=userFasta.sprot_human_mix_20181121 MTD software[2]-setting CLE=[R]|{P},[K]|{} MTD software[2]-setting MODS=Carbamidomethyl (C),iTRAQ4plex (K),iTRAQ4plex (N-term) MTD software[2]-setting IT_MODS=Oxidation (M),iTRAQ4plex (Y) MTD software[2]-setting TOL(-)=20 MTD software[2]-setting TOL(+)=20 MTD software[2]-setting TOLU=ppm MTD software[2]-setting ITOL=10 MTD software[2]-setting ITOLU=ppm MTD software[2]-setting PEP_ISOTOPE_ERROR=yes MTD software[2]-setting PFA=1 MTD software[3] [MS, MS:1002251, Comet, 2015.02 rev. 0] MTD software[3]-setting Taxon=userFasta.sprot_human_mix_20181121 MTD software[3]-setting search_enzyme_number=2 MTD software[3]-setting FixMod=Carbamidomethyl (C),iTRAQ4plex (K),iTRAQ4plex (N-term) MTD software[3]-setting VarMod=iTRAQ4plex (Y),Oxidation (M) MTD software[3]-setting max_variable_mods_in_peptide=5 MTD software[3]-setting allowed_missed_cleavage=1 MTD software[3]-setting peptide_mass_tolerance=20 MTD software[3]-setting peptide_mass_units=2 MTD software[3]-setting fragment_bin_tol=0.02 MTD software[3]-setting fragment_bin_offset=0.0 MTD fixed_mod[1] [UNIMOD, UNIMOD:4, Carbamidomethyl,] MTD fixed_mod[1]-site C MTD fixed_mod[1]-position Anywhere MTD fixed_mod[2] [UNIMOD, UNIMOD:214, iTRAQ4plex,] MTD fixed_mod[2]-site K MTD fixed_mod[2]-position Anywhere MTD fixed_mod[3] [UNIMOD, UNIMOD:214, iTRAQ4plex,] MTD fixed_mod[3]-site N-term MTD fixed_mod[3]-position Any N-term MTD variable_mod[1] [UNIMOD, UNIMOD:214, iTRAQ4plex,] MTD variable_mod[1]-site Y MTD variable_mod[1]-position Anywhere MTD variable_mod[2] [UNIMOD, UNIMOD:35, Oxidation,] MTD variable_mod[2]-site M MTD variable_mod[2]-position Anywhere MTD protein_search_engine_score[1] [http://rdf.jpostdb.org/ontology/jpost.owl#JpostScore] MTD psm_search_engine_score[1] [http://rdf.jpostdb.org/ontology/jpost.owl#JpostScore] PRH accession description taxid species database database_version search_engine best_search_engine_score[1] ambiguity_members modifications protein_coverage search_engine_score[1]_ms_run[1] num_psms_ms_run[1] num_peptides_distinct_ms_run[1] num_peptides_unique_ms_run[1] PRT sp|P01903|DRA_HUMAN HLA class II histocompatibility antigen, DR alpha chain OS=Homo sapiens OX=9606 GN=HLA-DRA PE=1 SV=1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 23.0 null 76-UNIMOD:214,92-UNIMOD:214 0.07 23.0 1 1 1 PRT sp|P35580|MYH10_HUMAN Myosin-10 OS=Homo sapiens OX=9606 GN=MYH10 PE=1 SV=3 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 19.0 null 1964-UNIMOD:214 0.01 19.0 1 1 1 PRT sp|Q9NZJ7|MTCH1_HUMAN Mitochondrial carrier homolog 1 OS=Homo sapiens OX=9606 GN=MTCH1 PE=1 SV=1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 19.0 null 380-UNIMOD:214,385-UNIMOD:4 0.03 19.0 1 1 1 PRT sp|P49447|CY561_HUMAN Cytochrome b561 OS=Homo sapiens OX=9606 GN=CYB561 PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 19.0 null 241-UNIMOD:214 0.05 19.0 1 1 1 PRT sp|Q8N983-4|RM43_HUMAN Isoform 4 of 39S ribosomal protein L43, mitochondrial OS=Homo sapiens OX=9606 GN=MRPL43 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 18.0 null 147-UNIMOD:214 0.09 18.0 1 1 1 PRT sp|P43897|EFTS_HUMAN Elongation factor Ts, mitochondrial OS=Homo sapiens OX=9606 GN=TSFM PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 18.0 null 313-UNIMOD:214,315-UNIMOD:4 0.04 18.0 1 1 1 PRT sp|Q9UQ80|PA2G4_HUMAN Proliferation-associated protein 2G4 OS=Homo sapiens OX=9606 GN=PA2G4 PE=1 SV=3 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 17.0 null 377-UNIMOD:214 0.05 17.0 1 1 1 PRT sp|P62805|H4_HUMAN Histone H4 OS=Homo sapiens OX=9606 GN=HIST1H4A PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 17.0 null 81-UNIMOD:214,92-UNIMOD:214 0.13 17.0 1 1 1 PRT sp|O95183|VAMP5_HUMAN Vesicle-associated membrane protein 5 OS=Homo sapiens OX=9606 GN=VAMP5 PE=1 SV=1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 17.0 null 105-UNIMOD:214 0.11 17.0 1 1 1 PRT sp|Q05707|COEA1_HUMAN Collagen alpha-1(XIV) chain OS=Homo sapiens OX=9606 GN=COL14A1 PE=1 SV=3 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001476, X!Tandem, ] 17.0 null 197-UNIMOD:214 0.01 17.0 1 1 1 PRT sp|P16989|YBOX3_HUMAN Y-box-binding protein 3 OS=Homo sapiens OX=9606 GN=YBX3 PE=1 SV=4 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 17.0 null 354-UNIMOD:214 0.05 17.0 1 1 1 PRT sp|P62258-2|1433E_HUMAN Isoform SV of 14-3-3 protein epsilon OS=Homo sapiens OX=9606 GN=YWHAE null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16.0 null 223-UNIMOD:214 0.05 16.0 1 1 1 PRT sp|P50895|BCAM_HUMAN Basal cell adhesion molecule OS=Homo sapiens OX=9606 GN=BCAM PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16.0 null 619-UNIMOD:214,628-UNIMOD:4 0.02 16.0 1 1 1 PRT sp|Q9BXN1|ASPN_HUMAN Asporin OS=Homo sapiens OX=9606 GN=ASPN PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16.0 null 371-UNIMOD:214,380-UNIMOD:35 0.03 16.0 1 1 1 PRT sp|P04233-2|HG2A_HUMAN Isoform 2 of HLA class II histocompatibility antigen gamma chain OS=Homo sapiens OX=9606 GN=CD74 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16.0 null 225-UNIMOD:214,232-UNIMOD:35 0.04 16.0 1 1 0 PRT sp|Q9NV96|CC50A_HUMAN Cell cycle control protein 50A OS=Homo sapiens OX=9606 GN=TMEM30A PE=1 SV=1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 16.0 null 352-UNIMOD:214 0.03 16.0 1 1 1 PRT sp|Q86VP6-2|CAND1_HUMAN Isoform 2 of Cullin-associated NEDD8-dissociated protein 1 OS=Homo sapiens OX=9606 GN=CAND1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15.0 null 1050-UNIMOD:214 0.01 15.0 1 1 0 PRT sp|Q16401-2|PSMD5_HUMAN Isoform 2 of 26S proteasome non-ATPase regulatory subunit 5 OS=Homo sapiens OX=9606 GN=PSMD5 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15.0 null 451-UNIMOD:214 0.03 15.0 1 1 1 PRT sp|P35625|TIMP3_HUMAN Metalloproteinase inhibitor 3 OS=Homo sapiens OX=9606 GN=TIMP3 PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15.0 null 204-UNIMOD:214 0.04 15.0 1 1 1 PRT sp|Q86WC4|OSTM1_HUMAN Osteopetrosis-associated transmembrane protein 1 OS=Homo sapiens OX=9606 GN=OSTM1 PE=1 SV=1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15.0 null 322-UNIMOD:214 0.04 15.0 1 1 1 PRT sp|O15127|SCAM2_HUMAN Secretory carrier-associated membrane protein 2 OS=Homo sapiens OX=9606 GN=SCAMP2 PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15.0 null 317-UNIMOD:214 0.04 15.0 2 1 0 PRT sp|Q86VP6|CAND1_HUMAN Cullin-associated NEDD8-dissociated protein 1 OS=Homo sapiens OX=9606 GN=CAND1 PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15.0 null 1218-UNIMOD:214,1227-UNIMOD:35 0.01 15.0 1 1 0 PRT sp|P50336|PPOX_HUMAN Protoporphyrinogen oxidase OS=Homo sapiens OX=9606 GN=PPOX PE=1 SV=1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15.0 null 465-UNIMOD:214 0.03 15.0 1 1 1 PRT sp|P62277|RS13_HUMAN 40S ribosomal protein S13 OS=Homo sapiens OX=9606 GN=RPS13 PE=1 SV=2 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15.0 null 141-UNIMOD:214 0.08 15.0 2 1 0 PRT sp|P04233|HG2A_HUMAN HLA class II histocompatibility antigen gamma chain OS=Homo sapiens OX=9606 GN=CD74 PE=1 SV=3 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15.0 null 289-UNIMOD:214,296-UNIMOD:35 0.03 15.0 1 1 0 PRT sp|P33241|LSP1_HUMAN Lymphocyte-specific protein 1 OS=Homo sapiens OX=9606 GN=LSP1 PE=1 SV=1 null null userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15.0 null 331-UNIMOD:214 0.03 15.0 1 1 1 PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] modifications spectra_ref retention_time charge exp_mass_to_charge calc_mass_to_charge pre post start end PSM FASFEAQGALANIAVDK 1 sp|P01903|DRA_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 23 1-UNIMOD:214,17-UNIMOD:214 ms_run[2]:scan=18951 109.89 3 2039.0931 2039.0931 R A 76 93 PSM TSDVNETQPPQSE 2 sp|P35580|MYH10_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 19 1-UNIMOD:214 ms_run[1]:scan=2779 17.78323 2 1574.719973 1574.718195 K - 1964 1977 PSM VSSGSCFALE 3 sp|Q9NZJ7|MTCH1_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 19 1-UNIMOD:214,6-UNIMOD:4 ms_run[1]:scan=12706 69.85661166666667 2 1199.562092 1199.561424 R - 380 390 PSM TLTEGDSPGSQ 4 sp|P49447|CY561_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 19 1-UNIMOD:214 ms_run[1]:scan=3257 20.345508333333335 2 1234.580936 1234.579911 K - 241 252 PSM EVQDPAPAQVQAQ 5 sp|Q8N983-4|RM43_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 18 1-UNIMOD:214 ms_run[2]:scan=6232 35.788 2 1523.7702 1523.7702 R - 147 160 PSM FECGEGEEAAETE 6 sp|P43897|EFTS_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 18 1-UNIMOD:214,3-UNIMOD:4 ms_run[2]:scan=7530 42.543 2 1600.6321 1600.6321 R - 313 326 PSM TAENATSGETLEENEAGD 7 sp|Q9UQ80|PA2G4_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 17 1-UNIMOD:214 ms_run[2]:scan=6457 36.967 2 1980.8518 1980.8518 K - 377 395 PSM TVTAMDVVYALK 8 sp|P62805|H4_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 17 1-UNIMOD:214,12-UNIMOD:214 ms_run[2]:scan=20175 119.11 3 1597.8993 1597.8993 K R 81 93 PSM TQDAGIASGPGN 9 sp|O95183|VAMP5_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 17 1-UNIMOD:214 ms_run[1]:scan=2708 17.370666666666665 2 1230.600659 1230.596229 R - 105 117 PSM IGLAQYSGD 10 sp|Q05707|COEA1_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001476, X!Tandem, ] 17 1-UNIMOD:214 ms_run[1]:scan=11617 63.717240000000004 2 1066.5412 1066.5411 R P 197 206 PSM AGEAPTENPAPPTQQSSAE 11 sp|P16989|YBOX3_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 17 1-UNIMOD:214 ms_run[1]:scan=4873 28.751334999999997 3 2024.945206 2024.940878 K - 354 373 PSM EALQDVEDENQ 12 sp|P62258-2|1433E_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16 1-UNIMOD:214 ms_run[2]:scan=8176 45.856 2 1432.644 1432.6440 K - 223 234 PSM GGSGGFGDEC 13 sp|P50895|BCAM_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16 1-UNIMOD:214,10-UNIMOD:4 ms_run[2]:scan=3003 18.936 2 1085.4206 1085.4206 R - 619 629 PSM MSVQLGNFGM 14 sp|Q9BXN1|ASPN_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16 1-UNIMOD:214,10-UNIMOD:35 ms_run[2]:scan=16231 91.512 2 1242.5859 1242.5859 R - 371 381 PSM QDLGPVPM 15 sp|P04233-2|HG2A_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 16 1-UNIMOD:214,8-UNIMOD:35 ms_run[2]:scan=7285 41.306 2 1015.513 1015.5130 K - 225 233 PSM NSSNTADITI 16 sp|Q9NV96|CC50A_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 16 1-UNIMOD:214 ms_run[1]:scan=10186 56.13599 2 1178.591929 1178.590081 R - 352 362 PSM DSSSTNLESMDTS 17 sp|Q86VP6-2|CAND1_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15 1-UNIMOD:214 ms_run[2]:scan=6996 39.78 2 1516.6321 1516.6321 K - 1050 1063 PSM PVSTTAVEGAE 18 sp|Q16401-2|PSMD5_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15 1-UNIMOD:214 ms_run[2]:scan=6343 36.364 2 1203.6105 1203.6105 K - 451 462 PSM SIINATDP 19 sp|P35625|TIMP3_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15 1-UNIMOD:214 ms_run[2]:scan=9253 51.389 2 973.52021 973.5202 K - 204 212 PSM SSTSFANIQENSN 20 sp|Q86WC4|OSTM1_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1001583, MaxQuant, ] 15 1-UNIMOD:214 ms_run[2]:scan=8304 46.515 2 1541.708 1541.7080 K - 322 335 PSM AASSAAQGAFQGN 21 sp|O15127|SCAM2_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214 ms_run[1]:scan=5696 33.01883333333333 2 1323.645250 1322.633678 R - 317 330 PSM AASSAAQGAFQGN 22 sp|O15127|SCAM2_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214 ms_run[1]:scan=4863 28.705506666666665 2 1322.634141 1322.633678 R - 317 330 PSM DSSSTNLESMDTS 23 sp|Q86VP6|CAND1_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214,10-UNIMOD:35 ms_run[1]:scan=2378 15.588021666666668 2 1532.627725 1532.626997 K - 1218 1231 PSM QAAVSVLGTEPNS 24 sp|P50336|PPOX_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214 ms_run[1]:scan=10569 58.09916666666666 2 1415.740714 1415.737808 R - 465 478 PSM YESSTASALVA 25 sp|P62277|RS13_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214 ms_run[1]:scan=11106 60.89901 2 1241.628400 1241.626133 K - 141 152 PSM YESSTASALVA 26 sp|P62277|RS13_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214 ms_run[1]:scan=10910 59.859228333333334 2 1241.628400 1241.626133 K - 141 152 PSM QDLGPVPM 27 sp|P04233|HG2A_HUMAN 0 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214,8-UNIMOD:35 ms_run[1]:scan=7092 40.280335 2 1015.513596 1015.513017 K - 289 297 PSM VLVEGGPAP 28 sp|P33241|LSP1_HUMAN 1 userFasta.sprot_human_mix_20181121 userFasta.sprot_human_mix_20181121 [MS, MS:1002251, Comet, ] 15 1-UNIMOD:214 ms_run[1]:scan=10561 58.057831666666665 2 981.563062 981.561682 K - 331 340