BEGIN IONS
TITLE=CCMSLIB00017425795
PEPMASS=484.272379
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T22_59_1_9432.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenocoumacine V [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425795
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425795
SCANS=4967
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485.2441802792088	131.0
485.27584015589525	5643.0
486.2797124303397	1243.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425796
PEPMASS=449.287264
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T23_60_1_9433.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenortide B [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
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INCHI=InChI=1S/C27H36N4O2/c1-19(2)16-24(28-3)27(33)31(4)25(17-20-10-6-5-7-11-20)26(32)29-15-14-21-18-30-23-13-9-8-12-22(21)23/h5-13,18-19,24-25,28,30H,14-17H2,1-4H3,(H,29,32)/t24-,25-/m0/s1
INCHIAUX=SOIIKURIVIWMKK-DQEYMECFSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425796
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425796
SCANS=6446
100.10960209175434	198.0
104.04728678689239	136.0
105.06816472468643	264.0
117.05398468044903	154.0
118.06233808421081	795.0
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134.1077960421766	239.0
135.09803379382734	3147.0
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144.0788337960483	3145.0
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156.10033993986067	447.0
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448.2947077168175	118.0
449.28647733867103	1073.0
450.29125715950545	468.0
451.2987736389987	149.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425797
PEPMASS=539.37979
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T27_5_1_9506.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Glidobactin 538.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)CCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@@H](O)CCNC(=O)C=C[C@H](C)NC1=O
INCHI=InChI=1S/C28H50N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h14-15,19-23,26,33-34H,5-13,16-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/b15-14+/t20-,21+,22-,23-,26-/m0/s1
INCHIAUX=VQBOKWCGWKUHRH-HSNDAHITSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425797
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425797
SCANS=8252
129.1012694270031	255.0
145.0958092725715	985.0
178.08612909497128	245.0
224.13912464378856	1415.0
225.12300365428376	638.0
242.14939503327693	5956.0
243.15277875445287	485.0
270.24425796606283	300.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425798
PEPMASS=559.290552
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T32_10_1_9511.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Peptide 558.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=NCCCCC(NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O
INCHI=InChI=1S/C32H38N4O5/c33-19-11-10-18-26(34-29(37)22-25-16-8-3-9-17-25)30(38)35-27(20-23-12-4-1-5-13-23)31(39)36-28(32(40)41)21-24-14-6-2-7-15-24/h1-9,12-17,26-28H,10-11,18-22,33H2,(H,34,37)(H,35,38)(H,36,39)(H,40,41)/t26?,27-,28?/m0/s1
INCHIAUX=PEPRSSHMOMQGFJ-XLQDAESGSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425798
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425798
SCANS=6841
120.0803807299529	1547.0
166.08554787890668	300.0
219.14856113137475	1505.0
220.15124602096753	260.0
247.14465551705365	1875.0
248.1479051999422	402.0
288.9204217391234	312.0
313.1546669180997	2055.0
394.21242116785646	586.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425799
PEPMASS=838.411565
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T32_10_1_9511.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Szentiamide [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=C[C@@H]1C(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)C(C)C)CC5=CC=CC=C5)NC(=O)[C@@H](CC(C)C)NC=O
INCHI=InChI=1S/C45H55N7O9/c1-25(2)19-34(47-24-53)40(55)52-39-27(5)61-45(60)37(22-30-23-46-33-14-10-9-13-32(30)33)50-41(56)35(21-29-15-17-31(54)18-16-29)48-43(58)38(26(3)4)51-42(57)36(49-44(39)59)20-28-11-7-6-8-12-28/h6-18,23-27,34-39,46,54H,19-22H2,1-5H3,(H,47,53)(H,48,58)(H,49,59)(H,50,56)(H,51,57)(H,52,55)/t27-,34-,35+,36-,37+,38-,39?/m1/s1
INCHIAUX=LVGMCXZPNJMSFE-LLXAQUNHSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425799
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425799
SCANS=7829
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425800
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CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T37_15_1_9517.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Kolossin B [M+H]+
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SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
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BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenocoumacine XCNIII [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425805
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425805
SCANS=5583
128.06826285522288	2591.0
129.0702530186282	329.0
156.06285371260662	1507.0
215.10278726422553	296.0
215.13680729362514	330.0
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250.14082689271547	848.0
405.19802236577067	3276.0
406.2015737561615	774.0
407.20575646610945	281.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425806
PEPMASS=425.224425
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T7_44_1_9415.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenocoumacine VI [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425806
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425806
SCANS=5222
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425.20626837269685	286.0
425.22471623543566	49313.0
425.6425421630938	193.0
426.22790533565126	9092.0
427.2296633994367	743.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425807
PEPMASS=664.926092
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T8_45_1_9416.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenoamicin 1327.8 [M+2H]2+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425807
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425807
SCANS=10126
140.1047260023346	669.0
141.10124048527234	461.0
143.078529026643	256.0
154.1200296180721	902.0
168.10024600172807	2083.0
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225.15611153731834	319.0
239.1368922648534	2082.0
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352.2214415029047	686.0
357.21306113489516	321.0
409.2770233817556	312.0
465.30339747599476	287.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425808
PEPMASS=168.102135
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.akhurstii_XPPM_Nic447_18_1_3572.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Dihydrophenylalanine (H2Phe) [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425808
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425808
SCANS=1545
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168.10234749341137	8924.0
169.10543450624172	558.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425809
PEPMASS=668.518377
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.akhurstii_XPPM_Nic447_18_1_3572.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Mevalagma Peptide [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
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INCHI=InChI=1S/C33H65N9O5/c1-18(2)23(36-11)29(44)40-25(20(5)6)31(46)42(13)27(22(9)10)32(47)41(12)26(21(7)8)30(45)39-24(19(3)4)28(43)37-16-14-15-17-38-33(34)35/h18-27,36H,14-17H2,1-13H3,(H,37,43)(H,39,45)(H,40,44)(H4,34,35,38)/t23-,24-,25-,26-,27-/m0/s1
INCHIAUX=PFGLCBILHVLCQP-IRGGMKSGSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425809
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425809
SCANS=4593
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425810
PEPMASS=425.192126
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.akhurstii_XPPM_Nic447_18_1_3572.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Amicoumacin B [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)CC(N=C(O)C(O)C(O)C(N)CC(=O)O)C1Cc2cccc(O)c2C(=O)O1
INCHI=InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)
INCHIAUX=LOXFXXGTOVWWQV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425810
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425810
SCANS=5349
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427.19729860913	1686.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425811
PEPMASS=285.075983
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.akhurstii_XPPM_Nic447_18_1_3572.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Anthraquinone 284.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425811
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425811
SCANS=5672
173.0599752513442	5380.0
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285.07587845135384	1747.0
286.07844453244087	307.0
286.08053927011576	245.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425812
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CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.akhurstii_XPPM_Nic447_18_1_3572.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=N-acetyl-amicoumacin A 465.2 [M+H]+
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SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425812
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425812
SCANS=5806
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233.11730399311026	1000.0
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234.12017754559875	424.0
250.14383487218865	1652.0
251.14559320520078	478.0
251.1491634322662	329.0
276.1220522231568	330.0
285.14520217491565	151.0
292.0804618524074	122.0
316.0850223760081	133.0
320.15164371940966	340.0
345.17833107395353	120.0
354.12964610406493	146.0
354.13684782561126	153.0
371.159802524692	2746.0
372.1438194273081	695.0
372.1618448067218	529.0
373.1456934600431	304.0
389.17207361238854	225.0
390.1552590322924	915.0
391.1595385408694	367.0
406.1969586354382	207.0
407.1818129270861	422.0
408.180847268118	131.0
431.1803672226594	184.0
448.2084587267376	1122.0
449.1754360374617	125.0
449.19164425797584	4986.0
449.2111137626194	299.0
450.19600835923416	1451.0
451.1970218207314	317.0
466.2200382923372	161.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425813
PEPMASS=271.060318
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.akhurstii_XPPM_Nic447_18_1_3572.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Antraquinone 270.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425813
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425813
SCANS=6547
211.9411726828926	205.0
228.04227967419678	207.0
241.0513956071471	262.0
256.03701939253347	2846.0
257.04012515700344	369.0
271.06051113611994	20064.0
272.06395412552746	3020.0
273.0655041198325	243.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425814
PEPMASS=615.422889
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.kayaii_XPPM_Nic441_12_1_3566.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide F [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425814
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425814
SCANS=7718
135.09165611821481	777.0
136.09488021665805	249.0
199.1806214147576	433.0
227.1759749733861	1479.0
228.17913112256048	283.0
248.17556061573626	705.0
276.1711278669695	1308.0
277.17454346573567	270.0
295.2378074373621	286.0
340.258548275786	963.0
344.2331137775669	459.0
389.25476707997495	1531.0
390.25807512018434	365.0
425.3464685437925	247.0
474.3445707849422	378.0
502.3398462170073	527.0
503.3397493870787	245.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425815
PEPMASS=541.359727
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.namnaoensis_XPPM_Nic435_6_1_3559.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Luminmycin B [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCC/C=C/C=C/C(O)=N[C@H](C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](C)C(O)CC(=O)O)[C@@H](C)O
INCHI=InChI=1S/C27H48N4O7/c1-4-5-6-7-8-9-10-11-12-16-23(34)31-25(20(3)32)27(38)30-21(15-13-14-17-28)26(37)29-19(2)22(33)18-24(35)36/h10-12,16,19-22,25,32-33H,4-9,13-15,17-18,28H2,1-3H3,(H,29,37)(H,30,38)(H,31,34)(H,35,36)/b11-10+,16-12+/t19-,20+,21-,22?,25-/m0/s1
INCHIAUX=JRFQUOXEKACVEL-AVHFMUBGSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425815
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425815
SCANS=6983
129.10182498552953	3931.0
130.1049698891568	508.0
134.08062551043253	345.0
172.2061816405682	461.0
179.14326951092804	1860.0
244.16638260084082	1318.0
245.14997243139095	927.0
252.19633097889266	564.0
262.17648719925677	10805.0
262.21837775795774	270.0
263.17985497286844	1457.0
280.19111141579	2252.0
281.19244736738835	418.0
390.2753109197735	401.0
523.3489791189403	382.0
541.3596863747584	825.0
542.3647487915875	375.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425816
PEPMASS=535.348597
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.namnaoensis_XPPM_Nic435_6_1_3559.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Glidobactin 534.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425816
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425816
SCANS=8010
107.08228411246668	119.0
127.08672206267664	352.0
136.04006644074104	173.0
137.09717274977314	213.0
145.09667877898562	2637.0
146.10089356050375	220.0
152.10630093747693	214.0
153.06628350016413	195.0
162.09148758026524	163.0
165.06522687541505	167.0
175.15110208130832	143.0
178.08625647350948	263.0
179.11761278396006	170.0
193.15906044173477	5453.0
194.1623169757596	824.0
195.1130227103172	456.0
207.11216742807278	369.0
208.09572369234624	169.0
208.1116216847681	167.0
213.12336651243305	209.0
224.13960528810057	4424.0
225.12347790392886	3809.0
225.14306869313427	563.0
226.1264526822614	400.0
226.15672970927866	153.0
227.15716692947078	138.0
242.1501305899963	22914.0
243.15364852279586	2554.0
244.15692401942775	327.0
250.1795060517006	250.0
262.1540081776768	140.0
266.2114081958822	928.0
267.2136030687033	167.0
268.16329282856447	178.0
276.19621637738175	871.0
277.1992216113771	131.0
294.2065001284859	4302.0
295.2078430819619	692.0
296.20983774469795	119.0
307.17492434888516	165.0
308.16225334757496	175.0
325.18666457361314	205.0
326.1720752395579	302.0
420.2823148712986	126.0
473.3144309989071	136.0
499.328497464138	163.0
517.3428550971482	273.0
518.3423793530744	161.0
535.3502087309198	230.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425817
PEPMASS=315.086536
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.thracensis_XPPM_Nic432_3_1_3556.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Anthraquinone 314.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425817
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425817
SCANS=7844
121.06414441221742	123.0
197.0607423705337	174.0
208.05209453121995	633.0
209.05726345888493	125.0
213.86582824818854	193.0
226.06175061680216	453.0
236.0475545236064	293.0
254.0575972210936	1440.0
255.06180070920377	368.0
257.04130331424534	121.0
264.04194206922983	628.0
265.04341451061896	167.0
270.0521561149275	170.0
271.0595756011092	199.0
282.0526255877513	1765.0
283.05618505908274	276.0
285.04075349073315	480.0
285.0722821868786	152.0
300.0621084512089	1020.0
301.0656334638456	191.0
315.0864237563888	18431.0
316.0901281951631	2342.0
317.0916194576741	471.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425818
PEPMASS=257.153984
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.thracensis_XPPM_Nic432_3_1_3556.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Dihydro-Isopropylstilben 256.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425818
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425818
SCANS=8448
103.05457695936181	128.0
105.03227726592267	130.0
105.03527743632371	228.0
105.06960708846388	843.0
106.07246101598678	149.0
107.08462384989362	424.0
109.06248929077645	293.0
109.06619088659028	192.0
109.10045487617289	224.0
111.0435787663804	7204.0
111.07994384248416	645.0
112.04702798462411	282.0
113.05948649052958	1337.0
115.05363900215637	1942.0
117.06944555165533	7619.0
118.07314954939746	485.0
119.04853265087057	165.0
119.08517756071016	343.0
121.06459809998292	236.0
121.09975433800335	123.0
123.08004168113176	537.0
123.11743835525512	134.0
125.05878496798978	253.0
125.09561376943539	1030.0
127.05409970731692	119.0
127.07497005773453	1864.0
127.95691066703576	127.0
128.0610608262626	470.0
129.0700904363747	1755.0
130.07308492998598	345.0
131.04863413742723	332.0
131.08504026161188	1831.0
132.0892414716414	135.0
133.0644207317246	1163.0
133.10061746263233	145.0
135.0800924341144	471.0
137.05956643770708	331.0
137.0959199307003	1175.0
138.09959249964666	142.0
139.0749159831029	214.0
140.08219504470927	149.0
141.0697373023307	779.0
141.09048789675091	245.0
142.07299700155377	339.0
143.0849827844038	621.0
144.08865011723725	180.0
145.06563690563112	222.0
145.10110964349244	1289.0
147.08022540059937	123.0
152.06213229203084	199.0
153.0699883080264	459.0
153.09098789887793	4223.0
154.07670158239677	445.0
154.0942559619658	277.0
155.0592581236464	170.0
155.08548678531145	4525.0
156.08879171868287	563.0
157.06458552775086	4146.0
157.10126769863592	510.0
158.06790080441144	402.0
159.08075562850317	1858.0
159.11709175300624	347.0
160.08397966589544	361.0
165.0707500024192	190.0
165.0907984627184	172.0
165.0922843660303	205.0
166.0780303364565	123.0
166.09680450010373	210.0
167.08614628581748	311.0
168.0893536792297	130.0
169.10118398852143	4680.0
170.10519036264623	491.0
171.0806933024636	11778.0
171.11773527586467	211.0
172.08410773811676	1589.0
173.09674271483846	1060.0
174.09929906653463	256.0
179.08611022263193	851.0
179.10784972702214	341.0
180.09311873071175	434.0
181.06457907717433	177.0
181.07657373991154	222.0
181.10137311082346	772.0
181.17644018912537	118.0
182.10962800836907	255.0
182.1150724627679	145.0
183.08128201770452	499.0
183.11764064277602	179.0
184.0844229159123	232.0
184.0863689657292	232.0
185.0950640279686	315.0
185.13342563569367	920.0
186.13681894432946	165.0
187.0752189764586	199.0
187.11179574066134	265.0
193.10105295529294	187.0
195.1169445129118	774.0
196.08863997254235	163.0
196.12497279979723	760.0
197.09646631465293	1161.0
197.12146996886543	155.0
197.1326750751025	2696.0
197.14202065622155	171.0
198.10056805589647	177.0
198.13569839030896	446.0
201.09024635904294	512.0
206.11114865488383	357.0
211.14879399797235	552.0
212.1522431099594	124.0
213.12736352046457	740.0
214.1297979059406	132.0
215.107132208209	2304.0
215.14447448501292	455.0
216.1100760202129	454.0
221.13341375423332	498.0
223.11186888715469	129.0
224.12040209490652	157.0
229.15888546778896	2244.0
230.16240685185582	229.0
239.14336516453028	1369.0
240.1462989588443	434.0
241.12214702657238	939.0
257.1358472490169	128.0
257.15390001862113	211535.0
257.1731136006388	1191.0
257.2479479587444	339.0
258.15745748486927	24391.0
259.115212759332	163.0
259.1606033769198	451.0
259.16791818913174	445.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425819
PEPMASS=253.180379
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=P.thracensis_XPPM_Nic432_3_1_3556.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Photopyron A [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCc1c(O)cc(CC(C)C)oc1=O
INCHI=InChI=1S/C15H24O3/c1-4-5-6-7-8-13-14(16)10-12(9-11(2)3)18-15(13)17/h10-11,16H,4-9H2,1-3H3
INCHIAUX=DRAGJHQSJAIYMO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425819
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425819
SCANS=9273
105.07008307476043	211.0
107.08430410123162	200.0
109.02792133218068	168.0
109.06470800883318	248.0
109.10113738129884	279.0
111.04297042085176	720.0
112.04595201256845	146.0
112.05040828113671	140.0
113.02332124152011	298.0
113.05935981584753	226.0
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119.08592018791518	345.0
121.02823374353973	296.0
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123.04385416371953	121.0
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123.11593148539488	246.0
125.02323769637313	428.0
125.06011785654125	140.0
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133.0634868143435	243.0
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153.05433465654062	280.0
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154.06357989894482	429.0
154.0998680933426	189.0
155.07058199360824	220.0
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165.091367504738	376.0
167.0704497008175	532.0
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169.1232781203255	278.0
170.08928332218102	288.0
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198.1213096433656	1706.0
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211.1331048979122	11784.0
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212.13723161245358	1007.0
223.13213828357559	201.0
225.1488295781916	1169.0
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252.09512515566377	130.0
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253.02106276823145	222.0
253.04454216382965	118.0
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253.1122564155285	199.0
253.11511061371914	199.0
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253.15952641306026	2469.0
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253.18044437378248	1132833.0
253.19980443450893	66169.0
253.27377721958408	10970.0
253.32411416699682	269.0
253.420654646622	270.0
253.42724905708732	119.0
253.4567290409533	142.0
253.62332610456178	2184.0
253.6401929027369	2419.0
254.16889393050243	250.0
254.1834896951781	161966.0
254.2019484410703	315.0
255.18579142502136	3480.0
271.1904290411877	256.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425820
PEPMASS=427.301636
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=PH201_P1_A_6_1_10868.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Leupeptin 426.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C=O)CCCNC(=N)N
INCHI=InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1
INCHIAUX=GDBQQVLCIARPGH-ULQDDVLXSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425820
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425820
SCANS=4615
100.0733120522042	140.0
120.08000812038975	130.0
124.08456117478389	642.0
128.07127216250873	123.0
128.10524338581746	989.0
129.10144514279347	127.0
129.11055098410372	174.0
141.11230314233657	2845.0
142.09657330094967	4489.0
142.10828043102111	129.0
142.11692829545393	248.0
143.0992603505267	413.0
151.09804722598142	373.0
152.08277586059387	334.0
152.09864291443023	127.0
152.14054368467305	121.0
156.1005235362967	1265.0
156.1124757241939	492.0
158.12647197493607	134.0
159.12356122969584	464.0
160.12548730041473	119.0
167.15338160453052	860.0
169.10762482645313	123.0
170.110304431374	123.0
178.12282032132364	217.0
194.16508640513786	251.0
195.14825219290051	1457.0
196.15274015473094	241.0
199.18008256084153	531.0
208.14312123766317	186.0
210.14645613623034	194.0
212.17505708303332	7984.0
213.15903487901195	138.0
213.17836468099597	455.0
221.1274568896016	123.0
222.15959121229332	173.0
227.17459043734374	241.0
227.18694526558747	207.0
237.17014257563514	3360.0
238.15222556005062	134.0
238.16705191644806	123.0
238.17302045120377	357.0
239.11058306522742	127.0
241.19011160670522	428.0
242.19180577779247	234.0
254.1970448377769	865.0
255.18101350746778	2528.0
255.20070371405617	134.0
256.18363855072795	270.0
268.2040872633479	120.0
269.1850334860771	5936.0
270.189749868876	616.0
271.18792299779074	131.0
271.19595766756834	128.0
274.210509444067	195.0
312.12600852941694	147.0
325.25958940681653	218.0
349.2587922058189	304.0
350.1105378648725	119.0
350.2525315950607	163.0
365.1063654904593	151.0
367.2502870589234	151.0
367.26910929682987	19271.0
368.257162382944	210.0
368.27153218941174	2509.0
368.2924208516906	136.0
369.2759782616602	387.0
382.27932726618155	390.0
383.28767090686006	160.0
391.2808137054033	282.0
392.2642505514958	415.0
392.28118651847007	122.0
409.26397112449	123.0
409.2733414819102	227.0
409.2910295865977	55141.0
410.29440946341805	7737.0
410.312793187282	130.0
410.3157004758391	130.0
411.29710585549526	1032.0
427.28116210545755	195.0
427.3016342610914	71122.0
427.3280038476435	168.0
428.3041689580335	10243.0
428.32300566573355	162.0
429.30775889277584	1165.0
468.0470471941985	130.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425821
PEPMASS=499.255233
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Glidobactin 498.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=C[C@@H](O)[C@H](NC(=O)\C=C\C=C\c1ccccc1)C(=O)N[C@H]1C[C@@H](O)CCNC(=O)C=C[C@H](C)NC1=O
INCHI=InChI=1S/C26H34N4O6/c1-17-12-13-22(33)27-15-14-20(32)16-21(25(35)28-17)29-26(36)24(18(2)31)30-23(34)11-7-6-10-19-8-4-3-5-9-19/h3-13,17-18,20-21,24,31-32H,14-16H2,1-2H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/b10-6+,11-7+,13-12+/t17-,18+,20-,21-,24-/m0/s1
INCHIAUX=POYWJVCLQHNQBY-UXPIFVIRSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425821
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425821
SCANS=5471
145.09696538817605	558.0
157.06475573860067	3485.0
158.06774411229105	329.0
224.13920057359564	452.0
225.12320290401993	877.0
226.12634382480252	244.0
230.11692679331952	567.0
240.10249804779014	409.0
242.15028294680417	4025.0
243.15340401964676	390.0
258.1122122543429	1251.0
259.1175217753843	402.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425822
PEPMASS=301.070585
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Anthraquinone 300.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425822
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425822
SCANS=7363
240.04085275576676	384.0
257.0437949787744	201.0
258.0504966624739	183.0
268.0371021604752	956.0
273.07519274318406	312.0
286.0467852428046	7257.0
287.05164025287274	953.0
301.0704535460532	12613.0
302.07466594022225	1950.0
303.0785490679082	182.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425823
PEPMASS=201.196361
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Urea Lipid 200.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425823
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425823
SCANS=7875
113.96386602290721	274.0
115.97909883460487	654.0
158.1906316354198	388.0
201.19612791172744	2529.0
202.19828767934163	491.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425824
PEPMASS=255.138025
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=3,5-dihydroxy-4-isopropylstilbene [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
INCHI=InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3
INCHIAUX=ZISJNXNHJRQYJO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425824
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425824
SCANS=7951
105.0682912260258	201.0
107.04835156969587	944.0
119.04875911119375	142.0
121.02672106114319	189.0
123.04358106828741	558.0
128.06180453230385	241.0
129.06834766415813	153.0
135.04391947244852	4171.0
136.04647256129078	246.0
137.05927772976332	383.0
142.07683647322384	132.0
152.06188984057226	357.0
153.06970167980654	153.0
155.08669004991776	142.0
165.06978043438107	214.0
166.0781605379972	243.0
167.08567841032573	987.0
177.07043347896536	565.0
185.09437150698523	261.0
195.08083058052802	2308.0
196.0827822608559	195.0
199.07580163548403	620.0
212.0817093170767	214.0
213.0911960402111	24067.0
214.0946572832219	2421.0
228.23390886186613	131.0
239.1067869286429	601.0
240.10941254108778	174.0
241.10898456539763	126.0
255.13855880967475	1241.0
256.1406098846472	345.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425825
PEPMASS=215.211959
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Urea Lipid 214.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425825
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425825
SCANS=8473
158.18956061588145	466.0
159.1943592230027	134.0
172.20563596758134	980.0
173.2100547965921	189.0
215.21203873184055	16596.0
216.21484972664328	1652.0
217.2220501767471	125.0
233.2240171185532	132.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425826
PEPMASS=229.227438
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Urea Lipid 228.0 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCCCNC(=O)NC
INCHI=InChI=1S/C13H28N2O/c1-3-4-5-6-7-8-9-10-11-12-15-13(16)14-2/h3-12H2,1-2H3,(H2,14,15,16)
INCHIAUX=CZQYCRHFDSHZRQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425826
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425826
SCANS=8844
172.20638415213546	999.0
173.20864840251713	195.0
229.22797685739488	2903.0
230.2308514257089	295.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425827
PEPMASS=452.277013
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=lyso-Phosphatidyl ethanolamine (lyso- PE) 451.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425827
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425827
SCANS=8912
121.10066643061727	153.0
142.02585321087943	186.0
151.1458733807755	153.0
155.0100243275533	1207.0
173.02184455213614	508.0
198.05376795606344	218.0
216.06365501184294	1182.0
219.21254168381046	207.0
228.1612408358357	154.0
237.22117906600167	982.0
238.22379540471897	160.0
242.17428933218508	252.0
280.26360269977795	1194.0
281.2669096329472	238.0
311.2582068910982	23809.0
312.26169456192457	3501.0
313.2642301828864	426.0
391.2240707258983	397.0
392.22798555461014	172.0
434.2691408633297	302.0
452.2773220624113	275.0
453.1669020803316	255.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425828
PEPMASS=600.411667
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=TTO1_XPPM_Nic438_9_1_3562.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide B [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425828
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425828
SCANS=9703
120.08109734151624	283.0
121.08348438976554	128.0
154.15875277452156	507.0
199.1807501439056	1562.0
200.18448615745717	183.0
227.1759625476473	4594.0
228.1774103254272	404.0
233.14543810981755	127.0
233.16487051718718	1163.0
234.16776088837156	149.0
237.15477722750512	119.0
238.16345500301608	136.0
261.1594764488118	4080.0
262.1626132041429	495.0
263.1643529046229	125.0
267.24399161680935	224.0
268.2471870004714	133.0
278.1869218234624	160.0
295.23712385644416	678.0
296.23823786071097	141.0
301.22627497677047	407.0
312.2638203669872	151.0
323.23411001473977	221.0
329.2223042798719	856.0
330.2276003321324	229.0
340.25920866756724	2126.0
341.262646921984	705.0
346.24883847701216	293.0
350.2433859523073	169.0
356.2322722886692	159.0
374.24358739494414	6062.0
375.2469220295508	1071.0
376.2492954516776	219.0
384.22685315655445	129.0
402.2372267063302	351.0
408.3221218505515	205.0
425.3466023777213	201.0
442.3059650275354	317.0
443.3098707385905	164.0
453.34322751577366	531.0
454.34572091829494	296.0
459.33294258896694	930.0
460.33573665993595	197.0
487.32738815442383	2317.0
488.33224575996616	535.0
489.31731635400286	119.0
489.32756969290693	258.0
497.31211846009126	347.0
555.3991468198116	218.0
572.4184836108174	149.0
573.4174688706546	172.0
573.4210189066442	172.0
600.4150169070249	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425829
PEPMASS=402.233833
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.beddingii_DSMZ_4764_XPPM_Nic539_75_1_3701.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Lipocitide 401.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C(N[C@H](CCCNC(N)=O)C(=O)O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(C)=O
INCHI=InChI=1S/C17H31N5O6/c1-9(2)8-13(21-11(4)23)15(25)20-10(3)14(24)22-12(16(26)27)6-5-7-19-17(18)28/h9-10,12-13H,5-8H2,1-4H3,(H,20,25)(H,21,23)(H,22,24)(H,26,27)(H3,18,19,28)/t10-,12+,13+/m0/s1
INCHIAUX=AKTNDUXHXUVZKM-CYZMBNFOSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425829
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425829
SCANS=3829
113.07037408589619	222.0
115.08526580659093	406.0
128.10652244924546	2249.0
129.10940424371313	149.0
133.09684828598736	306.0
141.10072406528303	155.0
156.1014120505255	3505.0
157.1046776577544	456.0
158.091509660542	131.0
159.07605107310755	4754.0
160.0783278177096	252.0
169.09621188326173	134.0
176.1027850914894	3348.0
177.1062971604666	127.0
184.10711900707724	294.0
185.1297844651906	140.0
186.12368115251493	737.0
186.1338630084643	155.0
199.14319700025007	122.0
202.11892727716122	163.0
204.13429178269692	256.0
204.46043939548082	132.0
209.12882643424166	277.0
211.11926208210707	164.0
212.1035116661169	167.0
213.10617799514486	137.0
226.1551047278348	160.0
227.13912994509468	1830.0
228.1428813894307	306.0
229.12919562542666	579.0
230.11329236391305	18112.0
231.11658310222654	1743.0
232.1177890140489	287.0
245.16935672942725	130.0
247.13982435828973	2465.0
248.14214874747415	263.0
359.23023179515167	308.0
367.19923875288333	198.0
385.2088394026594	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425830
PEPMASS=164.107019
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.beddingii_DSMZ_4764_XPPM_Nic539_75_1_3701.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 163.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(=O)NCCc1ccccc1
INCHI=InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
INCHIAUX=MODKMHXGCGKTLE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425830
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425830
SCANS=4596
103.0536911648103	622.0
105.06943901652471	8078.0
106.0722972366827	1091.0
122.09587295912972	2560.0
123.09867636079275	226.0
164.1073043072462	1100.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425831
PEPMASS=181.097302
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.biovieniiSS_2004__XPPM_Nic536_60_1_3698.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Diazepine 180.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C(O)C=1C=CN2CCCC2CN=1
INCHI=InChI=1S/C9H12N2O2/c12-9(13)8-3-5-11-4-1-2-7(11)6-10-8/h3,5,7H,1-2,4,6H2,(H,12,13)
INCHIAUX=YNKIVAMKJJUMNC-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425831
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425831
SCANS=1414
110.05934444393013	3227.0
111.0616102901166	212.0
111.09111480643219	325.0
119.94896933081365	132.0
121.07680641855943	241.0
122.05919139021935	3042.0
123.06348111980151	198.0
139.08614554010444	32678.0
140.07010638269395	1956.0
140.08205605791505	270.0
140.08883064249255	2353.0
141.07310738567142	138.0
145.92920812466718	129.0
181.0969199866999	7396.0
182.09978113318053	535.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425832
PEPMASS=496.373671
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.biovieniiSS_2004__XPPM_Nic536_60_1_3698.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xefoampeptide 495.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)C1NC(=O)C(NC(=O)C(NC(=O)CC(CCCCC(C)C)OC1=O)C(C)CC)CC(C)C
INCHI=InChI=1S/C27H49N3O5/c1-9-19(8)24-26(33)28-21(14-17(4)5)25(32)30-23(18(6)7)27(34)35-20(15-22(31)29-24)13-11-10-12-16(2)3/h16-21,23-24H,9-15H2,1-8H3,(H,28,33)(H,29,31)(H,30,32)
INCHIAUX=WODKKMQOCASVEA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425832
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425832
SCANS=10301
154.15868061302615	319.0
185.16436145114622	309.0
231.1706135085688	1066.0
238.21642451725552	650.0
253.22645989023053	317.0
256.22590541768807	318.0
266.21059177552127	856.0
281.2210765910635	373.0
284.22151092710686	1453.0
285.2252367275372	339.0
354.3075812592206	243.0
355.2951483349212	363.0
397.3054319564828	289.0
468.3767799333397	713.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425833
PEPMASS=584.436667
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.biovieniiSS_2004__XPPM_Nic536_60_1_3698.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide D linear [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425833
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425833
SCANS=10337
159.07607762848033	1594.0
176.10276006188852	3307.0
204.13432787418665	278.0
230.11302638658603	7149.0
231.11646767814946	565.0
247.13962704510442	3669.0
248.1367969793741	283.0
310.30858875083567	896.0
338.3040174387008	2078.0
339.3090746968966	471.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425834
PEPMASS=449.190822
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.bovienii_XPPM_Nic533_57_1_3695.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=N-acetyl-amicoumacin C 448.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425834
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425834
SCANS=6218
140.03312548839935	288.0
159.04337574678726	262.0
215.1067950488615	1054.0
217.0831240693534	350.0
232.13205683769223	768.0
233.1171288413989	526.0
250.14237498763796	285.0
276.1219236743884	249.0
285.1448254536195	250.0
372.14319753798827	325.0
390.1533749813397	361.0
391.1570920269625	277.0
449.1908295361113	1301.0
450.1944119410735	266.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425835
PEPMASS=285.072146
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.bovienii_XPPM_Nic533_57_1_3695.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenorhabdin 284.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C1NC2=CSSC2=C1NC(=O)CCCC(C)C
INCHI=InChI=1S/C12H16N2O2S2/c1-7(2)4-3-5-9(15)14-10-11-8(6-17-18-11)13-12(10)16/h6-7H,3-5H2,1-2H3,(H,13,16)(H,14,15)
INCHIAUX=ZHGZIFCTZVOLMX-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425835
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425835
SCANS=7111
131.99326783000413	651.0
153.01098222528046	241.0
154.01980360509734	416.0
159.00432218619292	184.0
159.0057625987549	214.0
169.15793480571728	128.0
170.98131815310452	132.0
183.9886651895744	142.0
184.98358883074	1227.0
185.99133131800417	2727.0
186.9892377145452	176.0
186.99959652982577	51702.0
187.98766901083232	283.0
188.00244545315687	2816.0
188.99550328428435	3021.0
192.03538076561446	195.0
196.98419636425945	368.0
198.99911337043608	475.0
203.1168239320786	220.0
210.9990546390078	697.0
212.0072316941198	1257.0
213.01377687927072	482.0
225.01502177451997	1131.0
226.01749611883744	253.0
233.0727484908483	140.0
234.08109405650043	416.0
234.22115331499853	227.0
238.22348015809487	128.0
252.23233109693234	342.0
253.2374413536693	123.0
266.24857693957904	125.0
267.04763471893085	140.0
267.0618222874184	22319.0
268.06480667375	2100.0
269.05855279381274	1063.0
269.0703200876243	188.0
284.06035061129376	156.0
284.25821196823335	895.0
285.0716214788727	215.0
285.261314063875	408.0
286.2622068282482	151.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425836
PEPMASS=617.401454
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.cabanillasii_JM26_XPPM_Nic527_51_1_3688.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide 616.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425836
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425836
SCANS=5639
185.16427090984817	1440.0
213.159555657835	2712.0
227.17672021303193	308.0
306.18116345974624	1505.0
307.1852422196462	339.0
312.2279356653062	3570.0
313.2317400147571	546.0
425.311695763191	12287.0
426.315090594516	2488.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425837
PEPMASS=585.411364
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.cabanillasii_JM26_XPPM_Nic527_51_1_3688.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 584.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CN[C@H](C(O)=N[C@H](C(O)=N[C@H](C(=O)N(C)[C@H](C(O)=NCCc1c[nH]c2ccccc12)C(C)C)C(C)C)C(C)C)C(C)C
INCHI=InChI=1S/C32H52N6O4/c1-18(2)25(33-9)29(39)36-26(19(3)4)30(40)37-27(20(5)6)32(42)38(10)28(21(7)8)31(41)34-16-15-22-17-35-24-14-12-11-13-23(22)24/h11-14,17-21,25-28,33,35H,15-16H2,1-10H3,(H,34,41)(H,36,39)(H,37,40)/t25-,26-,27-,28-/m0/s1
INCHIAUX=OXEAFOWWKLMFDM-LJWNLINESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425837
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425837
SCANS=6461
114.09101955556751	672.0
128.0694100992638	166.0
132.10124828567555	159.0
142.0854870329385	2079.0
143.08974774839382	416.0
144.07971027123676	677.0
153.13759439898183	154.0
157.1706763870471	181.0
161.10732086201318	836.0
169.16999473534506	264.0
185.164612649746	70591.0
186.16817045112828	4302.0
187.16813557150982	201.0
196.1331401494561	1778.0
197.13499185227724	333.0
197.16557661228484	649.0
199.14405802003873	157.0
199.18041180682619	194.0
212.1767070804995	233.0
213.15971219712162	112805.0
214.1628763993302	6094.0
215.16636605162176	362.0
227.17516230027735	417.0
241.1544949490602	124.0
256.9472175203026	127.0
266.2222097128592	125.0
268.2365671616259	143.0
274.19075393810806	76679.0
275.19392287879936	9182.0
276.19687268665217	531.0
284.23328273215793	1565.0
285.2362246865641	237.0
295.20102039869323	4160.0
296.204957385436	539.0
312.2106667341136	232.0
312.2275462355975	290488.0
312.24871354043444	2626.0
312.33148913262664	325.0
313.2305206112968	28449.0
314.23338354047723	2370.0
322.21329239253225	169.0
326.242519634402	583.0
326.25259863746163	155.0
327.23960433904614	139.0
340.22162833007053	418.0
356.99421428291504	118.0
373.25948097780065	879.0
374.26477830583434	204.0
376.2578210044135	256.0
382.32359117452677	128.0
394.2680821212042	869.0
395.2725602123274	146.0
397.3177975395783	261.0
408.30284492045985	155.0
425.11667586290605	168.0
425.1482913980771	123.0
425.2866292464106	1211.0
425.311842639381	938644.0
425.3370700311292	47768.0
425.43370432656474	5248.0
425.6237680754481	211.0
425.8062527969403	125.0
425.8850312044234	436.0
425.9071225043005	2085.0
426.2886766678072	228.0
426.31460090574245	233044.0
426.3402340655321	1607.0
427.31703675708366	17257.0
428.3194200693837	500.0
583.4343902205545	127.0
584.356102068065	457.0
585.4106342784901	291.0
586.4134778025168	131.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425838
PEPMASS=627.45852
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.cabanillasii_JM26_XPPM_Nic527_51_1_3688.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 626.5 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425838
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425838
SCANS=7297
227.17588022581432	308.0
241.19096743753116	302.0
274.18884434884234	265.0
288.207274359265	249.0
340.25967048018884	766.0
354.2746230312282	392.0
467.3577480999735	1766.0
468.3615211568905	428.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425839
PEPMASS=248.200819
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.doucetiae_XPPM_Nic524_48_1_3685.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 247.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCC(=O)NCCc1ccccc1
INCHI=InChI=1S/C16H25NO/c1-2-3-4-5-9-12-16(18)17-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3,(H,17,18)
INCHIAUX=NZINLPSOYSUCME-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425839
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425839
SCANS=8918
102.04592308151193	177.0
103.05315871474899	919.0
105.06918881721988	23419.0
105.08019319148949	149.0
106.0726390202485	1200.0
107.08320106270413	121.0
109.100612945607	350.0
120.07947019476514	176.0
122.09585194980558	35224.0
123.0916130358233	147.0
123.09916704669095	1766.0
127.11136870902973	2862.0
128.11472017296734	266.0
144.137677151423	2528.0
145.14068613078484	263.0
170.1538895954968	321.0
248.20068066527858	22423.0
249.20450829183724	2636.0
250.20501400895546	179.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425840
PEPMASS=538.394789
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.doucetiae_XPPM_Nic524_48_1_3685.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide vlLvL [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CC(C)C)C(C)C
INCHI=InChI=1S/C28H51N5O5/c1-14(2)11-19-24(34)29-20(12-15(3)4)25(35)32-23(18(9)10)28(38)31-21(13-16(5)6)26(36)33-22(17(7)8)27(37)30-19/h14-23H,11-13H2,1-10H3,(H,29,34)(H,30,37)(H,31,38)(H,32,35)(H,33,36)/t19-,20+,21+,22-,23-/m1/s1
INCHIAUX=NZSPVSYJMIBKKF-BMXMUORJSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425840
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425840
SCANS=9111
185.16454737828968	1699.0
186.16708327180342	189.0
199.1801258338762	457.0
200.18386321971764	144.0
213.159472598201	3219.0
214.1624756626341	499.0
227.17552571083226	1903.0
228.17827055973044	298.0
253.227242570222	186.0
281.2216651167053	890.0
282.22494189352807	235.0
312.228274396889	1203.0
313.2253103298746	191.0
313.23371625748626	174.0
326.24291177471895	4903.0
327.24583174586394	957.0
336.22802580333826	144.0
354.2355657966802	141.0
380.2915377762182	364.0
381.28714997816576	129.0
394.3057391170596	209.0
397.3158855077499	352.0
398.31960422223614	388.0
411.3330989609546	396.0
425.3108444823951	1435.0
426.31545210685226	184.0
439.3266766877952	961.0
440.3276891700868	214.0
441.3342951986437	237.0
453.3036073185455	206.0
493.3727541318381	178.0
510.40416238406925	185.0
538.3958744439255	253.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425841
PEPMASS=631.453461
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.eapokensis_XPPM_Nic521_45_1_3681.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 630.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC([C@@H](C)C)C(=O)N[C@@H](C(C)C)C(=O)NCCc1ccccc1
INCHI=InChI=1S/C34H58N6O5/c1-19(2)18-25(37-31(42)26(35)20(3)4)30(41)38-28(22(7)8)33(44)40-29(23(9)10)34(45)39-27(21(5)6)32(43)36-17-16-24-14-12-11-13-15-24/h11-15,19-23,25-29H,16-18,35H2,1-10H3,(H,36,43)(H,37,42)(H,38,41)(H,39,45)(H,40,44)/t25-,26-,27-,28-,29?/m0/s1
INCHIAUX=SHKGDFLWXBPOGE-UWLUUTEJSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425841
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425841
SCANS=9288
213.15998969652532	772.0
227.17531257528896	373.0
233.1648176270393	380.0
261.1593014601596	756.0
281.22022320421866	365.0
326.2437963880457	711.0
360.22786229748635	623.0
374.24336869399843	1203.0
439.32938172412685	271.0
473.31150344238256	673.0
474.31565933505436	358.0
487.3276897589453	341.0
541.3725643315203	271.0
558.3999509595524	328.0
586.3963562103	520.0
587.3982836384347	247.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425842
PEPMASS=240.138295
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.griffiniae_XPPM_Nic515_39_1_3675.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 239.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C(NCCc1ccccc1)Cc1ccccc1
INCHI=InChI=1S/C16H17NO/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
INCHIAUX=SERBNUYNEAQHNJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425842
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425842
SCANS=6934
103.05362181965417	781.0
105.06934213803052	15138.0
106.0724659142886	1077.0
120.08013206768426	127.0
122.09588969209734	19832.0
123.09932197823915	891.0
136.07480846262527	940.0
162.09144473225888	237.0
240.1383305677821	9041.0
241.14176250658565	1328.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425843
PEPMASS=220.169468
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.griffiniae_XPPM_Nic515_39_1_3675.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 219.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCC(=O)NCCc1ccccc1
INCHI=InChI=1S/C14H21NO/c1-2-3-5-10-14(16)15-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3,(H,15,16)
INCHIAUX=LNMZIFQVUGGAAS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425843
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425843
SCANS=7349
103.05292110736141	348.0
105.06932108456434	2732.0
106.07244891598782	300.0
122.09608532573833	2680.0
123.09764129704855	123.0
220.16961686466664	1172.0
221.1730899456895	415.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425844
PEPMASS=411.296076
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.griffiniae_XPPM_Nic515_39_1_3675.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Tetrapeptide 410.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CC(C)C
INCHI=InChI=1S/C21H38N4O4/c1-10(2)9-14-18(26)23-16(12(5)6)20(28)25-17(13(7)8)21(29)24-15(11(3)4)19(27)22-14/h10-17H,9H2,1-8H3,(H,22,27)(H,23,26)(H,24,29)(H,25,28)/t14-,15-,16+,17-/m0/s1
INCHIAUX=UCEUYERIQMXXBY-NXOAAHMSSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425844
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425844
SCANS=7841
171.1494989336935	3024.0
172.15318899779777	200.0
185.16448526004004	1409.0
186.1673867751941	258.0
199.144506733415	7612.0
200.14645508539473	613.0
213.15997049780654	5220.0
214.1646057652468	734.0
225.19554070482323	192.0
239.2066709933857	118.0
239.21319324620495	286.0
253.19128058850737	199.0
267.20664042682716	667.0
298.2122962196243	1089.0
299.21735733073785	138.0
312.22840164796645	1313.0
313.23031029813103	416.0
383.30027446884986	190.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425845
PEPMASS=287.211483
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.griffiniae_XPPM_Nic515_39_1_3675.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Tryptamide 286.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCC(O)=NCCc1c[nH]c2ccccc12
INCHI=InChI=1S/C18H26N2O/c1-2-3-4-5-6-11-18(21)19-13-12-15-14-20-17-10-8-7-9-16(15)17/h7-10,14,20H,2-6,11-13H2,1H3,(H,19,21)
INCHIAUX=VVGFXNYHWJFNJN-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425845
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425845
SCANS=8497
115.05499763643961	333.0
117.07035256127641	248.0
118.06629803447599	119.0
127.05345307904447	256.0
127.11075925583148	235.0
132.08120359543148	359.0
143.07292399143483	754.0
144.0687509376089	129.0
144.0804069279925	54646.0
144.13915480675595	258.0
145.0768128985158	170.0
145.0837258595083	3335.0
146.0868591037606	195.0
161.107438931489	1281.0
162.11108731098517	182.0
170.1541024329251	235.0
258.1853120509939	153.0
270.1841308971949	1734.0
271.1874464040926	277.0
287.21128948128734	525.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425846
PEPMASS=276.232117
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.griffiniae_XPPM_Nic515_39_1_3675.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 275.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCC(=O)NCCc1ccccc1
INCHI=InChI=1S/C18H29NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3,(H,19,20)
INCHIAUX=XDDJYYVXLXUTSA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425846
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425846
SCANS=10093
102.04640450364731	146.0
103.05368077129069	658.0
105.06940616725566	13530.0
106.07215399844816	1671.0
120.07974047038672	162.0
122.09598704688956	33784.0
123.09948475687978	2652.0
137.13186573069171	440.0
138.13623412467476	134.0
155.14271852594234	2007.0
156.14765352218066	218.0
172.1699297282427	1461.0
173.17283515817712	188.0
198.1846632145042	345.0
276.21779434917465	128.0
276.23208243332465	32270.0
277.2355759163159	4659.0
278.2372176745241	354.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425847
PEPMASS=343.273797
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.griffiniae_XPPM_Nic515_39_1_3675.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Tryptamide 342.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCCCC(O)=NCCc1c[nH]c2ccccc12
INCHI=InChI=1S/C22H34N2O/c1-2-3-4-5-6-7-8-9-10-15-22(25)23-17-16-19-18-24-21-14-12-11-13-20(19)21/h11-14,18,24H,2-10,15-17H2,1H3,(H,23,25)
INCHIAUX=MKNMHNBIWPBTTO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425847
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425847
SCANS=10963
115.05406440112353	184.0
117.05588456815038	213.0
117.06852542355217	304.0
127.05421957208549	165.0
143.07147801380802	227.0
144.08039281196585	23162.0
145.08369290306925	1551.0
146.0879607726963	220.0
159.09228586747352	160.0
161.10758540125994	1333.0
162.1099783390435	340.0
183.17423320523284	138.0
200.2008178625334	312.0
226.2172089773328	476.0
326.24820726098443	492.0
327.25001372419416	304.0
343.2728603988258	264.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425848
PEPMASS=413.315771
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.griffiniae_XPPM_Nic515_39_1_3675.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Oxo-Tryptamide 412.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCCCCCCCC(=O)NCC(=O)c1c[NH]c2ccccc21
INCHI=InChI=1S/C26H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)28-21-25(29)23-20-27-24-18-16-15-17-22(23)24/h15-18,20,27H,2-14,19,21H2,1H3,(H,28,30)
INCHIAUX=WJRYEADSVOWTCX-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425848
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425848
SCANS=11053
144.08049891350805	7305.0
145.08442208055342	783.0
161.10733970964228	1011.0
187.08631031545562	1083.0
207.1751026227029	320.0
350.247921133557	277.0
367.2739392016084	2220.0
368.2780069950445	552.0
395.30466215135493	384.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425849
PEPMASS=223.144134
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.indica_XPPM_Nic509_33_1_3668.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Pyrrolizixenamide 222.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425849
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425849
SCANS=4656
110.05932722892304	806.0
111.09289692641406	160.0
122.06041458232934	344.0
123.06290924754425	185.0
138.97060271183028	149.0
139.08617586341515	29255.0
140.0707700376621	728.0
140.08972217781027	1560.0
141.0735617688115	139.0
149.02159792095006	153.0
153.11005669340315	127.0
171.10228740987782	208.0
223.14389197923933	3084.0
224.1474255372851	559.0
289.17759293076534	136.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425850
PEPMASS=828.522573
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.indica_XPPM_Nic509_33_1_3668.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Taxlllaid D [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)CCC(O)=N[C@@H]1C(O)=N[C@@H](C)C(O)=N[C@@H](Cc2ccccc2)C(O)=N[C@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)C(=O)O[C@@H]1C
INCHI=InChI=1S/C43H69N7O9/c1-23(2)17-18-35(51)50-36-29(11)59-43(58)28(10)45-38(53)31(19-24(3)4)47-39(54)32(20-25(5)6)48-40(55)33(21-26(7)8)49-41(56)34(22-30-15-13-12-14-16-30)46-37(52)27(9)44-42(36)57/h12-16,23-29,31-34,36H,17-22H2,1-11H3,(H,44,57)(H,45,53)(H,46,52)(H,47,54)(H,48,55)(H,49,56)(H,50,51)/t27-,28-,29+,31-,32+,33+,34-,36-/m0/s1
INCHIAUX=ZXDPIOZVFRMFBK-WRWGTOLFSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425850
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425850
SCANS=9509
182.11777178410372	468.0
203.13866478297825	1421.0
219.11313841029516	417.0
225.1593923953061	262.0
227.17526262086588	1000.0
253.15408058179497	1377.0
261.1596472252858	795.0
316.22346535873805	1248.0
317.22406993085116	278.0
332.19562665647567	1123.0
333.1991288324925	315.0
340.25793931787064	294.0
350.2062970486468	294.0
374.2441097049279	1220.0
375.24457056318334	401.0
375.2508221126548	251.0
384.2493357702504	636.0
400.22288276998484	1492.0
418.23397796245536	748.0
429.30677438287	464.0
445.28039824302516	1006.0
446.2841300760327	572.0
463.2909753306113	438.0
487.3266448257501	799.0
488.3265453245041	289.0
513.3060852354181	793.0
514.3087228976599	294.0
531.3184140301255	292.0
558.3653259288927	732.0
576.3743301793858	814.0
577.3768521911268	520.0
626.3902420941436	429.0
647.4122795524939	405.0
648.4227252670113	290.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425851
PEPMASS=231.149354
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.ishibashi_XPPM_Nic503_27_1_3662.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Tryptamide 230.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCC(O)=NCCc1c[nH]c2ccccc12
INCHI=InChI=1S/C14H18N2O/c1-2-5-14(17)15-9-8-11-10-16-13-7-4-3-6-12(11)13/h3-4,6-7,10,16H,2,5,8-9H2,1H3,(H,15,17)
INCHIAUX=CONGMAIJMUNLHQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425851
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425851
SCANS=3741
115.05381862987235	287.0
117.05666147597124	305.0
117.06977422486379	266.0
118.07237643516902	290.0
132.08051184607947	596.0
143.0733416181263	579.0
144.08055527426558	21981.0
145.0839584322415	1760.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425852
PEPMASS=552.411486
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.ishibashi_XPPM_Nic503_27_1_3662.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide C [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425852
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425852
SCANS=9353
154.15897642518152	159.0
185.16473562531328	2677.0
186.16948687475485	217.0
199.1806962241156	3632.0
200.1844781849886	506.0
209.16696996091386	161.0
213.16005052725794	9462.0
214.16277598937242	1094.0
215.1630309972577	120.0
227.17545937806182	20672.0
228.17873535962048	1464.0
244.19952713395037	141.0
253.22637826819718	749.0
253.2445237287182	143.0
254.23189070091684	264.0
267.2426033561259	500.0
268.24804832569924	153.0
281.22211379106466	2333.0
282.2254252077876	501.0
295.2373759682858	1125.0
296.2411428273975	237.0
298.24803966906757	325.0
308.2312042936243	317.0
309.21692578823956	172.0
309.23007935192345	123.0
310.2209561722934	203.0
312.2663911664025	138.0
322.2463031000726	127.0
323.2322732613725	148.0
326.24354877486377	15036.0
327.24652970463336	2651.0
328.24975505775456	320.0
336.2288141455954	335.0
337.23132589181586	183.0
340.2591650783208	12662.0
341.2623398759906	2614.0
342.26517271636385	297.0
350.2419193832208	140.0
351.24195164031096	147.0
354.2370191726724	388.0
368.25438681557875	232.0
394.3060391626851	1694.0
395.30850880256804	481.0
408.3193091763984	178.0
411.33268236576976	4234.0
412.3353908729753	1106.0
421.31691016295065	321.0
422.32342771226774	159.0
425.34710688740046	978.0
426.34650412455744	209.0
439.3276245246671	8404.0
440.33139022401383	1799.0
441.3309386402738	238.0
441.33370423862567	238.0
449.3118154660471	312.0
450.3138260101572	239.0
453.34241377119713	2417.0
454.34411555444933	599.0
455.34608903529636	187.0
467.3214435960973	297.0
507.3903428373102	478.0
508.3922751323722	274.0
524.4173583681162	1759.0
525.419473244646	453.0
552.4107672993958	1507.0
553.4157242716085	298.0
554.4161760101938	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425853
PEPMASS=261.138907
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.koppenhoeferii_XPPM_Nic497_21_1_3655.mzXML
SEQ=*..*
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PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425853
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425853
SCANS=8391
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128.06103859393016	235.0
129.0693369443746	330.0
130.06608028774366	178.0
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182.08333569604318	193.0
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184.09525461954033	2181.0
201.10204943729823	819.0
261.1245108884416	279.0
261.138881898948	65717.0
262.1421652244921	7182.0
263.1440690608957	445.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425854
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CHARGE=1
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
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SEQ=*..*
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INCHIAUX=AWOMKVFSCPBMJX-ZDUSSCGKSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425854
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425854
SCANS=6590
103.05323229905765	258.0
118.06451309576049	407.0
128.04922556126436	495.0
129.05294522449026	268.0
130.06485311823437	135143.0
131.0622899574017	333.0
131.06802453137365	6596.0
132.0438230894529	537.0
158.06012045124504	441.0
160.07565077939157	1521.0
214.12264793758993	608.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425856
PEPMASS=407.218461
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.miraniensis_XPPM_Nic486_57_1_3615.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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PI=H. Bode
DATACOLLECTOR=L. Niemeyer
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INCHIAUX=GJFFPZMEAWWELD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425856
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425856
SCANS=5640
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107.04977421925092	118.0
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114.09098782648465	663.0
122.05958655788996	1796.0
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131.04775785034033	168.0
131.0899110306317	365.0
133.06458462042798	2452.0
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138.09185279892202	131.0
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140.0703582725457	3083.0
141.07290225612215	175.0
144.04445016161068	248.0
145.064102457921	184.0
147.0438479857181	504.0
147.08137724175984	525.0
148.04762317403583	214.0
148.07579445489355	940.0
148.09393147044864	125.0
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149.05946702166307	6808.0
149.0977307120521	187.0
150.06203001051225	490.0
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157.09732670082255	236.0
158.0814624676117	112358.0
159.04395438286832	1199.0
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160.04812924792768	195.0
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173.09639589018147	248.0
175.11107837400064	170.0
176.07106116452402	7615.0
177.05464496420342	454.0
177.07453523625628	571.0
180.06624898522816	194.0
187.11325770815742	518.0
189.09179405341607	119.0
189.12779787228027	699.0
190.08654723743834	2013.0
190.13004211381357	225.0
191.08981706977335	302.0
197.09676265772242	917.0
198.09976072510582	197.0
203.10728252764596	711.0
205.12272958337118	822.0
206.12681192094576	186.0
206.15346905069399	132.0
214.12329314419082	277.0
215.1072784522988	11147.0
216.1106487425894	1311.0
217.11034485468235	239.0
232.13365776861397	172395.0
232.15162240708318	323.0
232.22280640106663	199.0
233.1176184961441	10044.0
233.1368497899534	21077.0
234.12097783759262	898.0
234.13919265504634	1225.0
250.05666393080443	130.0
250.12435030161018	1106.0
250.14426754838524	647283.0
250.1636587262729	32396.0
250.2372318084339	5180.0
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251.14753373596378	98414.0
252.14980113859932	5406.0
258.11255055144096	138.0
268.15346401623873	527.0
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276.1233296679635	338.0
292.15552568949636	123.0
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328.15570261964905	192.0
342.1706004234073	1262.0
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351.1941699394565	129.0
371.1972930261924	998.0
372.20058184775917	358.0
389.207374755242	5445.0
390.20922197757466	1064.0
391.216327665882	122.0
407.1631442336947	133.0
407.1922653520296	497.0
407.21807420355566	516438.0
407.2429759900547	18648.0
407.3376092110423	2549.0
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408.2018105452552	214.0
408.22131989467744	122737.0
408.2485869185185	171.0
409.2239138078282	8951.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425857
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
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SEQ=*..*
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INCHIAUX=MXXFZXJSHIUFOL-VXKWHMMOSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425857
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425857
SCANS=6045
134.09597247665295	384.0
162.09137715579195	371.0
190.0868236357279	393.0
283.17908899370155	907.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425858
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CHARGE=1
MSLEVEL=2
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_dhfq_PBAD_XNC1_2228_XPPM_Nic548_84_1_3711.mzXML
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INCHIAUX=UAFFXYUNGBKFSK-GOTSBHOMSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425858
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425858
SCANS=6442
100.11086227125813	189.0
119.07214575967511	144.0
134.09589503801584	4599.0
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162.09125379650226	6384.0
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283.1802579231869	15237.0
284.1833933428517	2242.0
285.1877867265814	248.0
289.1897277815459	136.0
410.2798903023552	153.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425859
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CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
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SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425859
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425859
SCANS=6163
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118.06488711364781	204.0
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134.09587448008563	8653.0
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323.1943864711842	4980.0
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404.23421422056407	199.0
435.27334413528814	342.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425860
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CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_dhfq_PBAD_XNC1_xndA_XPPM_Nic545_81_1_3708.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 381.2 [M+H]+
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SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
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SPECTRUMID=CCMSLIB00017425860
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425860
SCANS=6211
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283.1802677640977	5682.0
284.18271263464766	908.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425861
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_dhfq_PBAD_XNC1_xndA_XPPM_Nic545_81_1_3708.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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INCHIAUX=GZWWZJNXUWZAMU-IBGZPJMESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425861
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425861
SCANS=6559
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135.0987538214701	151.0
144.08019289792603	153.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425862
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CHARGE=1
MSLEVEL=2
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_dhfq_PBAD_XNC1_xndA_XPPM_Nic545_81_1_3708.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Oxo-Tryptamide 258.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
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INCHI=InChI=1S/C15H18N2O2/c1-10(2)7-15(19)17-9-14(18)12-8-16-13-6-4-3-5-11(12)13/h3-6,8,10,16H,7,9H2,1-2H3,(H,17,19)
INCHIAUX=NSTULYFLBIKCPE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425862
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425862
SCANS=7561
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145.08349691346373	1572.0
242.1152052557738	325.0
242.11709206513808	325.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425863
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_dhfq_PBAD_XNC1_xndA_XPPM_Nic545_81_1_3708.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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INCHIAUX=NIQUZFQMNMNAMD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425863
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425863
SCANS=8200
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255.1482715468497	234.0
256.132245413253	1478.0
257.13730385517664	309.0
273.1615022947798	147.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425864
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CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_XPPM_Nic483_54_1_3612.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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DATACOLLECTOR=L. Niemeyer
SMILES=Oc1ccc(CCNC(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)NC)cc1
INCHI=InChI=1S/C25H35N3O3/c1-18(2)16-22(26-3)25(31)28(4)23(17-20-8-6-5-7-9-20)24(30)27-15-14-19-10-12-21(29)13-11-19/h5-13,18,22-23,26,29H,14-17H2,1-4H3,(H,27,30)
INCHIAUX=ZWEMCDQIUXIKIA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425864
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425864
SCANS=5698
134.09627805383445	4881.0
135.0993214345148	661.0
162.09123905444054	4867.0
163.0945432568649	458.0
190.0864542767196	4716.0
191.0906868181702	531.0
299.1754096263054	8862.0
300.17932680151404	1753.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425865
PEPMASS=283.180813
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_XPPM_Nic483_54_1_3612.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Labradorin 282.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCc1ncc(-c2c[nH]c3ccccc23)o1
INCHI=InChI=1S/C18H22N2O/c1-2-3-4-5-6-11-18-20-13-17(21-18)15-12-19-16-10-8-7-9-14(15)16/h7-10,12-13,19H,2-6,11H2,1H3
INCHIAUX=HDEYBRIHWSHHDD-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425865
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425865
SCANS=6686
118.0660018196063	161.0
119.07149052042791	281.0
128.10708973123928	118.0
134.09640862264317	4936.0
135.0987942073301	585.0
283.18202200142423	189.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425866
PEPMASS=588.448945
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.nematophila_XPPM_Nic483_54_1_3612.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 587.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)C[C@H](NC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NCCc1ccccc1
INCHI=InChI=1S/C33H57N5O4/c1-22(2)19-27(34-8)32(41)38(11)29(21-24(5)6)33(42)36(9)25(7)31(40)37(10)28(20-23(3)4)30(39)35-18-17-26-15-13-12-14-16-26/h12-16,22-25,27-29,34H,17-21H2,1-11H3,(H,35,39)/t25-,27-,28-,29-/m0/s1
INCHIAUX=SGIQPVPAWANONK-AMEOFWRWSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425866
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425866
SCANS=7679
114.09099667242032	41343.0
115.09408640014188	2597.0
116.0974971128444	149.0
142.07072704885513	239.0
142.08614213327684	166565.0
142.1004719278073	2910.0
142.1560071184218	751.0
142.19971288334423	140.0
143.081833096016	199.0
143.08938560812433	10193.0
144.0852837327017	119.0
144.09214491446838	433.0
154.15912218419004	289.0
159.1492058910996	285.0
196.1334885183585	2566.0
197.13577572281847	312.0
197.2020920024689	147.0
199.1816377948583	171.0
210.1488595113631	216.0
211.15415774503572	136.0
213.19746998943685	159.0
225.19603523126924	366.0
227.17560181649026	3161.0
228.17875604110333	235.0
241.1914152526257	23671.0
242.19471797539785	2574.0
255.17069191270974	63186.0
256.1738985293407	4781.0
257.1788075278495	176.0
272.23459287529	140.0
340.2591311376137	1149.0
341.26377654407185	254.0
348.2653928234877	239.0
354.2490882319056	162.0
354.27528153320793	68833.0
355.27834002255	8313.0
356.28182289098544	901.0
368.2529518856923	234.0
462.35268263684844	219.0
467.35988323008036	10431.0
468.363150616941	1744.0
469.3679860650501	249.0
588.4430883627309	166.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425867
PEPMASS=265.191125
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.poinarii_XPPM_Nic480_51_1_3609.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Pyrrolizixenamide C [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C1C=C(NC(=O)CCCCCCC)N2CCCC12
INCHI=InChI=1S/C15H24N2O2/c1-2-3-4-5-6-9-15(19)16-14-11-13(18)12-8-7-10-17(12)14/h11-12H,2-10H2,1H3,(H,16,19)
INCHIAUX=YVFKFKZGMYCOFV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425867
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425867
SCANS=7256
110.05955417316137	1430.0
111.09152686172187	149.0
122.06041718869139	308.0
139.0863555172482	20171.0
140.0692165227059	394.0
140.08900741305743	1462.0
141.07438230460545	136.0
171.99211121977552	120.0
176.97328044871477	140.0
190.00393671394588	121.0
265.19140478687433	3537.0
266.1961741159601	348.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425868
PEPMASS=687.517053
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.stockiae_DSMZ17904_XPPM_Nic468_39_1_3595.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 686.5 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425868
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425868
SCANS=8124
114.0916940060982	291.0
128.06953136494528	171.0
128.1059021487018	161.0
142.0861569408843	1239.0
143.08784089458086	275.0
156.10133644466083	825.0
185.16548560344324	1320.0
186.1662010254025	291.0
196.13328166478854	2211.0
197.1377778037284	212.0
197.165325051627	121.0
199.1802244813987	978.0
200.18302705401683	180.0
210.14911352910374	5892.0
211.15253370700736	422.0
213.1600429088475	8143.0
214.16325670679058	760.0
215.16369787037738	125.0
227.17566937224706	4844.0
228.178574867146	715.0
229.18244603640224	202.0
235.181093148395	215.0
241.1564970361666	186.0
241.19096552335452	914.0
242.194629118981	161.0
244.20241373476605	240.0
255.16879590360193	189.0
269.186080443846	118.0
269.1949604414903	142.0
295.10329539809413	118.0
309.2154296946794	159.0
326.2199967556697	170.0
326.24381867666733	113590.0
326.2652438413968	191.0
327.24692530884846	17601.0
328.2506453852009	1208.0
340.25936994814117	100952.0
341.26276648397993	11934.0
342.2651918979419	1264.0
348.26852961849994	221.0
349.27118213509294	180.0
354.2739272973745	507.0
355.278442270716	221.0
362.2798165661831	497.0
439.3277658787777	2557.0
440.3318624756457	926.0
441.33487904410697	180.0
453.3435773606603	50567.0
453.36778319097533	141.0
454.3468961377719	9354.0
455.34909630324313	1310.0
461.344175479975	130.0
566.4077790733852	177.0
566.4278856651223	4081.0
567.4303735885427	1115.0
568.4319998522024	647.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425869
PEPMASS=701.531978
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.stockiae_DSMZ17904_XPPM_Nic468_39_1_3595.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 700.5 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)[C@H](NC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)C([C@@H](C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)NCCc1ccccc1
INCHI=InChI=1S/C39H68N6O5/c1-24(2)23-30(42(12)37(48)31(40-11)25(3)4)36(47)44(14)33(27(7)8)39(50)45(15)34(28(9)10)38(49)43(13)32(26(5)6)35(46)41-22-21-29-19-17-16-18-20-29/h16-20,24-28,30-34,40H,21-23H2,1-15H3,(H,41,46)/t30-,31-,32-,33-,34?/m0/s1
INCHIAUX=HBHJZHOBEKLHMW-WRZQQXOWSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425869
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425869
SCANS=8357
128.10579317001134	259.0
142.08561869197052	572.0
156.10149187360977	776.0
185.16410628322413	434.0
196.13264124444694	554.0
197.13655429255178	226.0
199.18015310780984	670.0
200.18576434155187	270.0
210.14923688100717	1535.0
213.15940372305968	1824.0
214.1629825753813	232.0
224.16409552635665	1760.0
225.1680866631036	514.0
227.1756261781358	1778.0
228.17906505962094	330.0
241.19089653282757	650.0
255.17018894062124	237.0
255.20614997151563	473.0
340.2594559844371	45704.0
341.26249202055493	5124.0
342.2643508119553	694.0
354.2751590763125	22232.0
355.278155787673	3613.0
356.27851098695896	247.0
356.2805566760053	247.0
453.34512637013637	437.0
454.34413613036946	378.0
467.3596228442351	10606.0
468.36211057794344	2998.0
469.36410642529813	375.0
580.4437371087772	1184.0
581.4476319476186	386.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425872
PEPMASS=682.533414
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.stockiae_KK7.4_XPPM_Nic462_33_1_3589.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Mevalagmapeptide derivative 681.5 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425872
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425872
SCANS=4951
142.08708826525367	136.0
196.1326347712046	563.0
199.18048706051565	168.0
227.17636153014746	690.0
230.19769674340046	279.0
340.25971566679215	1567.0
341.25971085611064	218.0
341.26710821180336	259.0
343.28117344467637	635.0
344.2829756478168	132.0
453.3427754299891	1093.0
454.34738717235604	472.0
456.3668427933091	239.0
682.536034518844	3173.0
683.5392519237998	1530.0
684.5405740099488	270.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425873
PEPMASS=251.175552
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.stockiae_KK7.4_XPPM_Nic462_33_1_3589.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Pyrrolizixenamide B [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C1C=C(NC(=O)CCCCCC)N2CCCC12
INCHI=InChI=1S/C14H22N2O2/c1-2-3-4-5-8-14(18)15-13-10-12(17)11-7-6-9-16(11)13/h10-11H,2-9H2,1H3,(H,15,18)
INCHIAUX=UFVWSJNNLNZLOT-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425873
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425873
SCANS=6508
110.05966296198118	751.0
122.0599408650265	152.0
139.08643236091362	13708.0
140.07058728767606	510.0
140.08991802963234	1096.0
251.1753772935086	2610.0
252.1795967746854	251.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425874
PEPMASS=756.42946
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.stockiae_KK7.4_XPPM_Nic462_33_1_3589.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenobactin 755.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCC(C)[C@H]1N=C(O)[C@@H](C(C)C)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@@H](N=C(C)O)[C@@H](C)OC(=O)[C@H](CC(C)C)N=C1O
INCHI=InChI=1S/C38H57N7O9/c1-10-20(6)30-35(50)42-28(15-18(2)3)38(53)54-22(8)32(40-23(9)47)37(52)41-27(16-24-17-39-26-14-12-11-13-25(24)26)33(48)45-31(21(7)46)36(51)43-29(19(4)5)34(49)44-30/h11-14,17-22,27-32,39,46H,10,15-16H2,1-9H3,(H,40,47)(H,41,52)(H,42,50)(H,43,51)(H,44,49)(H,45,48)/t20?,21-,22-,27+,28+,29-,30-,31+,32+/m1/s1
INCHIAUX=FXABRPSBJMPRNF-NPXYWFPDSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425874
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425874
SCANS=7680
125.06928841578805	132.0
126.05446183429551	157.0
130.06453676967644	400.0
152.10831891652649	122.0
159.09190047203685	6320.0
160.09504649780854	781.0
170.1167683403453	119.0
173.1292852495938	352.0
183.07434207940443	297.0
183.07635253394963	297.0
183.0787482265315	175.0
183.11358742209055	642.0
185.16538536644302	233.0
187.08740057700456	1096.0
188.07066657803045	254.0
188.09059160429646	167.0
195.07999763209313	193.0
197.10690694733216	193.0
197.1293792525623	205.0
199.179756486149	291.0
201.12378435480093	2913.0
202.12507222056328	209.0
203.12769184597585	133.0
213.15988066114548	1076.0
215.1396032953063	363.0
216.11067582394188	119.0
225.10296489038186	153.0
227.1743439073321	693.0
231.16965519426677	544.0
233.15138300241568	365.0
239.13896235926646	140.0
242.13057610639618	118.0
244.1063630819813	204.0
245.18631350246423	22761.0
246.18919083110222	1689.0
247.19251241654027	382.0
253.09777203940592	357.0
253.2261021715352	135.0
257.1488957839795	971.0
258.1523809098512	298.0
260.139203800295	285.0
261.1440169542001	130.0
266.11468141799446	310.0
269.1853220559422	383.0
270.1239228369946	1797.0
270.1819141156086	235.0
271.1088342348273	140.0
271.12800666324557	448.0
272.1769914612606	128.0
278.1135131478179	341.0
279.11788759228733	155.0
279.1714975437062	283.0
281.21953218086355	186.0
283.20047231378584	169.0
284.1250373553837	161.0
284.13976557225055	871.0
285.14020956254694	209.0
286.2123099234141	176.0
288.13470690402954	1001.0
289.13351334136024	164.0
289.1379700590805	147.0
294.1246522188424	318.0
296.12566488809466	338.0
296.1974397913575	2343.0
297.12550684955517	124.0
297.2009138555269	431.0
299.23319769541797	508.0
301.2111685150098	120.0
302.15166669225755	143.0
312.1343989066498	13853.0
313.1376519774773	1663.0
313.17590729543446	153.0
314.13808033893986	360.0
314.18488649881266	241.0
314.2077378059637	4574.0
315.2103543744311	781.0
316.2168033528762	227.0
326.2473194018827	193.0
328.2219678297065	357.0
329.1634574772806	216.0
330.1459674163788	306.0
332.21810934106685	1223.0
333.22095876612036	149.0
341.1965738609009	176.0
342.18099586612914	220.0
342.2030005692191	149.0
342.23798552966383	638.0
343.1746326447445	191.0
343.1824575885601	120.0
343.2414186011521	121.0
344.1655678757161	120.0
344.2550029300813	1320.0
345.2585096325105	332.0
346.23550665209643	551.0
347.2389691773099	124.0
356.21778579085344	282.0
357.2198366527979	151.0
369.1533094053173	417.0
369.19232815577936	3765.0
370.1801659975413	195.0
370.1946576049154	949.0
370.2337974477739	6111.0
371.19750869887724	123.0
371.23702725731073	1242.0
372.237488956959	183.0
377.1830847301097	132.0
383.19239707886226	198.0
383.20713498097217	168.0
386.18976251313524	155.0
387.1666634519504	168.0
387.20270688333267	2343.0
387.25984382640206	180.0
388.20487167182176	511.0
389.2079736583584	126.0
395.1714205070281	2795.0
395.1915590285174	125.0
396.17427083616684	963.0
401.2752195933617	201.0
409.2805140106024	327.0
410.26374220552105	147.0
410.2839898149992	174.0
413.18257902852275	4042.0
414.1864560370848	839.0
415.18666974321593	260.0
415.2326196679588	243.0
416.2375451001055	161.0
424.2809265705185	738.0
425.2210018422518	157.0
425.2848279288086	322.0
426.2185701473323	216.0
426.26325716716036	143.0
427.29222711196763	2549.0
428.2940921610431	988.0
429.2954782305908	127.0
430.20789803843314	168.0
431.19176830443564	1145.0
432.19477079191796	305.0
432.26810262212894	144.0
439.2570786310428	191.0
439.29051263703775	136.0
440.227990497952	215.0
443.2305196685975	354.0
444.22969836296045	123.0
445.302352603034	7278.0
446.305262923336	1325.0
447.3055256056968	323.0
452.228674687783	152.0
455.26474072482057	160.0
456.2588365953335	157.0
456.2843444961361	136.0
457.26431032870283	221.0
468.22296577005983	471.0
469.2994459699896	791.0
472.29116243214355	224.0
473.292726486463	155.0
482.27655992871644	203.0
483.27777541143956	202.0
484.25628500420765	309.0
486.25654643808946	151.0
486.32791750228745	149.0
494.24040369960983	3622.0
495.24410014047027	986.0
496.27513089445813	126.0
500.2881686858425	929.0
501.2886328578641	331.0
502.2935632116892	157.0
510.2898671620682	137.0
512.2507698052934	4833.0
513.2537925764507	1207.0
514.2585703825617	212.0
518.2965702661638	382.0
526.2674944880999	457.0
527.2680775539001	344.0
528.3157445498922	168.0
529.2752031272846	133.0
529.3241127062109	130.0
530.2617219900175	1862.0
531.2619994851593	493.0
532.3148248090438	142.0
533.3172291371327	155.0
544.2779998843804	155.0
545.2769700587759	122.0
552.3379348969921	308.0
553.3393782329397	178.0
556.3140905289789	520.0
570.3521447409992	153.0
587.355834262787	316.0
607.3215335586129	120.0
609.362835065032	120.0
610.3642627702617	128.0
613.3727498442581	462.0
614.3624900590531	142.0
614.3688708107888	129.0
614.3741905880389	136.0
615.3539399388994	189.0
625.3345337034708	747.0
626.3431795008921	213.0
627.3419820850964	245.0
629.3680635336033	118.0
631.3828056222557	837.0
632.3852389682888	352.0
639.348768472593	315.0
640.3573643930206	150.0
643.3445135471807	676.0
644.3494942571859	338.0
645.3394013847233	121.0
645.3503265069315	118.0
657.367989884873	195.0
669.4007989953507	141.0
728.4394655867488	252.0
738.4221918546785	523.0
739.4224235054669	375.0
756.4288921950514	449.0
757.4331306750114	243.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425875
PEPMASS=602.391519
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.stockiae_KK7.4_XPPM_Nic462_33_1_3589.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide ylLvL [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)Cc1ccc(O)cc1
INCHI=InChI=1S/C32H51N5O6/c1-17(2)13-23-28(39)34-25(15-19(5)6)31(42)37-27(20(7)8)32(43)36-24(14-18(3)4)29(40)35-26(30(41)33-23)16-21-9-11-22(38)12-10-21/h9-12,17-20,23-27,38H,13-16H2,1-8H3,(H,33,41)(H,34,39)(H,35,40)(H,36,43)(H,37,42)/t23-,24+,25+,26-,27-/m1/s1
INCHIAUX=SPKWQCGASZGOID-LXSUACKSSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425875
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425875
SCANS=8619
136.07459287565877	273.0
213.16066693415587	682.0
227.17504668194024	737.0
249.15983565476398	557.0
263.16286774598467	351.0
277.15472380375036	1067.0
278.1582162286363	265.0
281.22049637953495	414.0
326.243613411873	956.0
345.2180299451689	249.0
376.22334065005253	613.0
377.2258521530678	251.0
390.23869075558866	1096.0
391.24264522611503	301.0
489.3067148425284	385.0
490.30890201363195	244.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425876
PEPMASS=225.066314
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.szentirmaii_DSMZ_16338_XPPM_Nic459_30_1_3585.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenazin 224.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C(O)c1cccc2nc3ccccc3nc21
INCHI=InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)
INCHIAUX=JGCSKOVQDXEQHI-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425876
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425876
SCANS=5999
137.96287529661706	395.0
153.0436816832379	125.0
159.94778647527863	281.0
170.05914567221302	121.0
179.06073112652402	6150.0
180.0643627418173	670.0
180.0709270863285	199.0
181.07842661185282	139.0
197.07218949585612	245.0
206.99666916644816	127.0
207.0439367111229	120.0
207.05573198566051	50355.0
208.0514815609273	214.0
208.05914157989343	5941.0
208.70170022117784	122.0
209.06003222903084	178.0
217.72752751323335	134.0
225.06669542016832	3437.0
226.07033016835416	565.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425877
PEPMASS=281.117266
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.szentirmaii_DSMZ_16338_XPPM_Nic459_30_1_3585.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenofuranone 280.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C1OC(Cc2ccccc2)C(=C1OC)c1ccccc1
INCHI=InChI=1S/C18H16O3/c1-20-17-16(14-10-6-3-7-11-14)15(21-18(17)19)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
INCHIAUX=ZIBSUBYTARIENZ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425877
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425877
SCANS=8668
105.03258987230656	418.0
115.05346487735578	1559.0
116.05669323982119	149.0
116.06108866643392	174.0
119.04780784802604	234.0
121.06396088733221	213.0
127.05439957205365	396.0
128.0618357686493	255.0
129.06905631713533	1160.0
130.07174120134252	206.0
131.04828755892842	283.0
135.0797998431924	129.0
142.0408941335286	2738.0
143.04860426382908	896.0
144.05668509839654	610.0
145.06348519657962	352.0
146.07230296839538	129.0
155.06021593388556	442.0
157.06497801008362	690.0
158.06868718443158	169.0
159.0805370639914	651.0
165.07063975311155	233.0
171.04412495087018	281.0
176.0592258947569	178.0
178.07763310462119	342.0
179.0856477936723	648.0
185.06003548014127	570.0
186.06346723289047	130.0
189.0547186175941	170.0
189.07080428987024	225.0
190.07776188521999	2828.0
191.0857455225226	2498.0
192.09354223398907	24618.0
193.09768280690406	2517.0
194.10231513843723	292.0
202.07767291035174	1644.0
203.07044854410518	390.0
203.08586466096943	18581.0
204.07430030147933	126.0
204.09221337697028	3994.0
205.0921124870028	184.0
205.10140422185833	44818.0
206.10468841480466	4737.0
207.10799249615962	350.0
207.11667180555895	2323.0
208.12275929846734	165.0
217.10154013833414	294.0
218.1046190948314	157.0
219.0803008278853	1440.0
219.11807166184292	137.0
220.06963815325966	302.0
220.0883877822576	278067.0
220.10637957406377	3065.0
220.17588436027413	835.0
221.09204613875076	42661.0
222.09481155689343	1986.0
231.0804039896153	7349.0
231.0934754072205	134.0
232.0834382781276	1341.0
235.09690122578166	234.0
235.11173380465715	59138.0
236.11546637994905	6208.0
237.1187236636081	563.0
248.08232762730438	409.0
249.0916861641741	249.0
263.1064082499246	4792.0
264.1104523960856	1636.0
265.1127144362706	166.0
280.0978103416399	239.0
281.0974474474123	130.0
281.1173427521391	155.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425878
PEPMASS=206.045272
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.szentirmaii_XPPM_Nic456_27_1_3582.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Benzoxazolinate 205.0 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C(O)c1cccc2OC(=C)C(=O)Nc21
INCHI=InChI=1S/C10H7NO4/c1-5-9(12)11-8-6(10(13)14)3-2-4-7(8)15-5/h2-4H,1H2,(H,11,12)(H,13,14)
INCHIAUX=VLFRGWNHQKLFPA-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425878
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425878
SCANS=4652
132.04410625612806	558.0
136.0391318280927	327.0
146.0597330187909	718.0
160.03945936612945	973.0
160.05065572255273	357.0
160.07607174440045	626.0
178.04962450995473	844.0
206.0450001858478	514.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425881
PEPMASS=297.11181
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.szentirmaii_XPPM_Nic456_27_1_3582.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenofuranone 296.1 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=Oc1ccc(cc1)C1=C(OC)C(=O)OC1Cc1ccccc1
INCHI=InChI=1S/C18H16O4/c1-21-17-16(13-7-9-14(19)10-8-13)15(22-18(17)20)11-12-5-3-2-4-6-12/h2-10,15,19H,11H2,1H3
INCHIAUX=OZAXSJNLWXVTRM-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425881
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425881
SCANS=7183
128.06111642648395	473.0
158.0726729572886	265.0
175.07654931696737	270.0
191.08558183362518	260.0
193.10125926709856	318.0
203.0857409763234	509.0
204.08939481209543	383.0
208.0886959188648	922.0
219.08064520562	1018.0
220.08347230420227	305.0
221.09624706781483	1278.0
222.09898488239804	300.0
236.08317521350193	8490.0
237.08719470331548	1293.0
247.0755802400006	380.0
251.10717897603152	1671.0
252.11042869729437	575.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425882
PEPMASS=503.396216
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.vietnamensis_XPPM_Nic450_21_1_3576.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 502.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)C[C@H](NC)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NCCc1ccccc1
INCHI=InChI=1S/C29H50N4O3/c1-20(2)17-24(30-7)28(35)33(9)26(19-22(5)6)29(36)32(8)25(18-21(3)4)27(34)31-16-15-23-13-11-10-12-14-23/h10-14,20-22,24-26,30H,15-19H2,1-9H3,(H,31,34)/t24-,25-,26-/m0/s1
INCHIAUX=DRBGSRRLOUSABE-GSDHBNRESA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425882
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425882
SCANS=7212
100.11159225838331	136.0
113.04503590161234	205.0
128.09261600761002	564.0
128.10684992181902	461557.0
128.1202599409127	11153.0
128.17310132126545	3763.0
128.42224450909012	151.0
129.11004342886545	21831.0
130.10595082970025	180.0
130.11277504252394	578.0
156.0486095611276	248.0
156.0555677401004	245.0
156.06099053513705	321.0
156.06884158076667	182.0
156.0753438536544	148.0
156.08582453365239	3072.0
156.0931971917006	860.0
156.1019909119029	1207823.0
156.11704842199663	60102.0
156.17507692472552	13362.0
156.20773097050434	130.0
156.21919284796527	163.0
156.29082846533294	243.0
156.37286073102993	190.0
156.39044003280583	203.0
156.4024234325603	204.0
156.44123611318363	171.0
156.45004012690555	2348.0
156.46360020914864	1936.0
157.09628601797021	219.0
157.10538401428633	74975.0
158.1073086953503	2053.0
158.1376705559989	125.0
159.14975982575695	262.0
182.19054194143752	1133.0
183.19398294925824	357.0
196.1684229766646	128.0
211.21692092374792	350.0
224.16453633741247	1643.0
225.16754124244386	271.0
227.21170326339669	564.0
237.1987459474674	187.0
239.21366956202573	579.0
240.21573778524487	152.0
249.19658448934837	40591.0
250.19964891836162	5196.0
251.20306091607907	479.0
255.2071766028781	117929.0
255.22657375302938	646.0
255.30162967572923	212.0
256.21048389565476	15079.0
257.21276420950767	731.0
283.201902329873	74145.0
284.2050933309523	7693.0
285.20908001405854	479.0
338.31683169517714	183.0
339.3169531611665	214.0
345.25434239365535	207.0
351.26847853754475	134.0
376.29608432059973	42321.0
377.29934479929267	7711.0
378.30242545923727	1129.0
382.3066654376634	51601.0
383.3099359523239	7683.0
384.31350907951895	911.0
385.31434810859315	140.0
472.3533768439267	470.0
473.3569853874782	365.0
503.3956723627611	1668.0
504.3989722872391	520.0
505.40312728885937	128.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425883
PEPMASS=440.311748
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.vietnamensis_XPPM_Nic450_21_1_3576.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xefoampeptide 439.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(CC)C1NC(=O)C(NC(=O)CC(CCCCC)OC(=O)C(C)NC1=O)CC(C)C
INCHI=InChI=1S/C23H41N3O5/c1-7-9-10-11-17-13-19(27)25-18(12-14(3)4)21(28)26-20(15(5)8-2)22(29)24-16(6)23(30)31-17/h14-18,20H,7-13H2,1-6H3,(H,24,29)(H,25,27)(H,26,28)
INCHIAUX=HNJMSSPVQYZSEJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425883
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425883
SCANS=8538
125.09567625709401	354.0
126.09849512521807	237.0
131.12543270412388	123.0
142.12328416761966	306.0
154.15850322894468	797.0
157.13265204082117	275.0
158.1181583885413	634.0
185.12829450572437	285.0
199.18088214382297	128.0
200.18566180000914	121.0
203.1391546702646	1587.0
204.1419887089389	258.0
210.18523079819207	2760.0
211.18943891381574	396.0
225.1965687194937	617.0
228.19576925416357	1056.0
229.1984513809813	178.0
238.1803849264693	1875.0
239.18455402987834	590.0
253.1913935991407	754.0
254.19267938266026	200.0
256.19077347349486	1298.0
257.19431879294933	217.0
271.20201163716945	1047.0
272.2066516367723	136.0
299.23218152067363	1858.0
300.2363036219477	311.0
323.2686766843576	128.0
327.22897511536115	694.0
328.2304446298563	396.0
329.2300546164832	123.0
351.2635647223395	138.0
369.2737660240254	356.0
412.316385295833	2666.0
413.3205456317005	443.0
414.3167844870197	235.0
439.2021544851215	212.0
440.3113110830855	136.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425884
PEPMASS=482.358664
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MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
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SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xefoampeptide 481.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425884
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425884
SCANS=9723
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132.10138476179335	214.0
142.12275131114816	325.0
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227.17544540697537	732.0
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370.27778165109044	588.0
454.36423219514984	2691.0
455.3667639783687	1005.0
482.3592713717667	298.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425885
PEPMASS=510.390168
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=X.vietnamensis_XPPM_Nic450_21_1_3576.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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INCHIAUX=GYIWMSOFBFRXLJ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425885
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425885
SCANS=10626
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398.3094507731733	3099.0
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484.40351661693325	833.0
492.37798828511296	190.0
510.3909708487159	1736.0
511.39452602893334	413.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425886
PEPMASS=244.22392
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
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SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=cabanillasin244 [M+H]+
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SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425886
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425886
SCANS=438
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115.10483932041616	311.0
131.12759824997676	2382.0
132.12984039619136	183.0
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210.17131733612135	245.0
227.19769027989642	1612.0
244.22420800847866	8230.0
245.2273029510564	557.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425887
PEPMASS=315.297203
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=Xdou_BactoFPM_pH7.mzXML
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IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
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SPECTRUMID=CCMSLIB00017425887
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425887
SCANS=432
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131.127390150064	305.0
139.09551821929594	409.0
156.12252959828902	270.0
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315.2970271468064	4412.0
316.30024494089514	657.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425888
PEPMASS=286.234158
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=Xdou_BactoFPM_pH7.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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INCHI=N/A
INCHIAUX=N/A
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SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425888
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425888
SCANS=398
156.1124236155252	751.0
185.1756783874946	370.0
202.20169545044638	802.0
226.8936762206821	305.0
227.19715346658697	374.0
252.18081907512084	248.0
269.2083844230471	710.0
286.2329794717187	380.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425889
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MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=Xdou_BactoFPM_pH7.mzXML
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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DATACOLLECTOR=C. Pavesi
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
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SPECTRUMID=CCMSLIB00017425889
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425889
SCANS=834
114.1006921475552	2276.0
139.09562160743715	705.0
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168.14840352383888	311.0
210.17127151249554	523.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425890
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CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=Xdou_BactoFPM_pH7.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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INCHIAUX=XGUDPXVVHRTYBT-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425890
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425890
SCANS=965
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210.17071338500855	685.0
240.08554170765032	630.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425891
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MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=Xdou_BactoFPM_pH7.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425891
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425891
SCANS=3913
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425892
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INCHI=N/A
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USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425892
SCANS=4330
129.10113025502685	834.0
257.1955442657781	722.0
1052.799676321141	285.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425893
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SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=Xdou_BactoFPM_pH7.mzXML
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USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425893
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425894
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425897
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COLLISION_ENERGY=23.0
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SPECTRUMID=CCMSLIB00017425897
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425897
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310.31048583984375	1679.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425898
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COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425899
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COLLISION_ENERGY=25.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV29.mzXML
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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SMILES=N/A
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SPECTRUMID=CCMSLIB00017425899
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425899
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425932
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CHARGE=1
MSLEVEL=2
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SOURCE_INSTRUMENT=LC-ESI-qTof
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INCHIAUX=PMYMGHIVWFOOOS-UHFFFAOYSA-N
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USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425932
SCANS=3879
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425933
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CHARGE=1
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COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV29.mzXML
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NAME=Tryptamide 482.4 [M+H]+
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INCHIAUX=HAWFHRQOMIMGFR-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
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SPECTRUMID=CCMSLIB00017425933
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425933
SCANS=4155
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484.4334411621094	2305.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425934
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CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=24.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV29.mzXML
SEQ=*..*
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ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
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PI=H. Bode
DATACOLLECTOR=C. Pavesi
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425934
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425934
SCANS=2365
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425900
PEPMASS=334.248655
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025_02_03_T31_9_1_9510.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 333.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425900
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425900
SCANS=5224
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122.09639682549988	608.0
123.10140723288056	149.0
136.00689506183298	121.0
144.08140146228843	140.0
155.97397529241675	123.0
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333.17840335436387	125.0
333.2763737281203	140.0
334.24875977826923	563.0
424.1581631920807	170.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425901
PEPMASS=659.484805
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025_02_03_T31_9_1_9510.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 658.5 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425901
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425901
SCANS=7060
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441.6428799703679	134.0
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442.33881224028306	219.0
447.33266530261005	4497.0
448.3372983979693	873.0
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538.3970661614544	566.0
585.1326314723237	192.0
659.4900312618676	231.0
660.4859196641526	212.0
1039.1650532013794	143.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425902
PEPMASS=772.571353
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025_02_03_T31_9_1_9510.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 771.6 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425902
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425902
SCANS=7729
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425903
PEPMASS=786.584054
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025_02_03_T31_9_1_9510.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Rhabdopeptide 785.6 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425903
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425903
SCANS=8065
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553.4206344669382	179.0
566.3598671813737	130.0
566.4287094341997	7145.0
567.4320064553038	2784.0
568.434101683022	505.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425904
PEPMASS=505.334165
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T11_48_1_9420.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Luminmycin A [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
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INCHIAUX=CXVPCSSIDACGGV-SBSLBVBZSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425904
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425904
SCANS=6849
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199.17872309403668	358.0
233.16276409224653	6327.0
234.16578714837976	932.0
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261.15713265321295	7595.0
262.1601708633205	1146.0
374.2400890026834	586.0
392.2502888442905	376.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425905
PEPMASS=570.417136
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T11_48_1_9420.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide C linear [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425905
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425905
SCANS=7360
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199.179631670447	830.0
213.15714947674562	5586.0
214.1616334117853	264.0
227.17414227245732	1476.0
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411.32814674477527	405.0
439.32375935033684	707.0
440.3283646772463	272.0
570.4194616824072	455.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425906
PEPMASS=618.417111
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T11_48_1_9420.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide B linear [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=O=C(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)Cc1ccccc1
INCHI=InChI=1S/C33H55N5O6/c1-19(2)14-24(34)29(39)35-25(15-20(3)4)30(40)37-27(18-23-12-10-9-11-13-23)32(42)36-26(16-21(5)6)31(41)38-28(33(43)44)17-22(7)8/h9-13,19-22,24-28H,14-18,34H2,1-8H3,(H,35,39)(H,36,42)(H,37,40)(H,38,41)(H,43,44)/t24-,25-,26-,27-,28-/m0/s1
INCHIAUX=BFUJRYXYOJYMEG-XLIKFSOKSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425906
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425906
SCANS=7690
120.0783349652922	1018.0
199.17816427803155	568.0
227.1728967378564	2396.0
228.17706660195205	290.0
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374.2388074703317	1363.0
375.2421407459181	585.0
392.25133690403607	488.0
487.3236128571376	275.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425907
PEPMASS=586.393904
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T11_48_1_9420.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide A [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(C)C)Cc1ccccc1
INCHI=InChI=1S/C32H51N5O5/c1-18(2)14-23-28(38)34-25(16-20(5)6)31(41)37-27(21(7)8)32(42)36-24(15-19(3)4)29(39)35-26(30(40)33-23)17-22-12-10-9-11-13-22/h9-13,18-21,23-27H,14-17H2,1-8H3,(H,33,40)(H,34,38)(H,35,39)(H,36,42)(H,37,41)/t23-,24-,25-,26-,27-/m0/s1
INCHIAUX=GZKGGHUTCBGDES-IRGGMKSGSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425907
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425907
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END IONS

BEGIN IONS
TITLE=CCMSLIB00017425908
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CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T11_48_1_9420.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=GameXPeptide D [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425908
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425908
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408.3197142680792	833.0
409.32341385472523	331.0
425.3445612820161	2110.0
425.38088784727324	120.0
426.3479932348482	590.0
427.3500151890976	134.0
435.3268593755163	163.0
453.3213840468372	182.0
453.3397837682041	6216.0
454.3423253316153	1438.0
455.3450106481635	299.0
457.01454332227377	121.0
463.3240214674127	443.0
481.3328637482019	241.0
521.4003063730567	467.0
521.4053240241464	344.0
523.4092174490421	125.0
538.4311011565976	829.0
539.4326231052293	327.0
566.4232199314481	365.0
567.4291223947956	257.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425909
PEPMASS=1037.466279
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T12_49_1_9421.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Protegomycine 03 / PRT-1037 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCC(O)=N[C@H]1CCCCN=C(O)[C@@H](Cc2c[nH]c3ccccc23)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C1O
INCHI=InChI=1S/C57H64N8O11/c1-2-7-51(70)60-45-10-5-6-27-58-52(71)50(32-38-33-59-44-9-4-3-8-43(38)44)65-57(76)49(31-37-17-25-42(69)26-18-37)64-56(75)48(30-36-15-23-41(68)24-16-36)63-55(74)47(29-35-13-21-40(67)22-14-35)62-54(73)46(61-53(45)72)28-34-11-19-39(66)20-12-34/h3-4,8-9,11-26,33,45-50,59,66-69H,2,5-7,10,27-32H2,1H3,(H,58,71)(H,60,70)(H,61,72)(H,62,73)(H,63,74)(H,64,75)(H,65,76)/t45-,46+,47-,48-,49+,50+/m0/s1
INCHIAUX=USBLJUSPZQTSCU-KSJHZKFYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425909
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425909
SCANS=6690
299.1360493682737	354.0
327.1312031003831	388.0
350.1479772549216	300.0
357.22156437649136	341.0
367.20789659398525	275.0
385.2191582141628	1436.0
490.1931100335734	636.0
548.2862535126478	342.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425910
PEPMASS=511.238927
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T12_49_1_9421.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Protegomycine 26 / PRT-1021 [M+2H]2+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCC(O)=N[C@H]1CCCCN=C(O)[C@@H](Cc2c[nH]c3ccccc23)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C1O
INCHI=InChI=1S/C57H64N8O10/c1-2-10-51(69)60-45-15-8-9-28-58-52(70)50(33-39-34-59-44-14-7-6-13-43(39)44)65-57(75)49(32-38-20-26-42(68)27-21-38)64-54(72)46(29-35-11-4-3-5-12-35)62-56(74)48(31-37-18-24-41(67)25-19-37)63-55(73)47(61-53(45)71)30-36-16-22-40(66)23-17-36/h3-7,11-14,16-27,34,45-50,59,66-68H,2,8-10,15,28-33H2,1H3,(H,58,70)(H,60,69)(H,61,71)(H,62,74)(H,63,73)(H,64,72)(H,65,75)/t45-,46-,47+,48-,49+,50+/m0/s1
INCHIAUX=NQNXETXGAHHXTM-UPKPQOFHSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425910
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425910
SCANS=7229
120.07764658243367	371.0
136.0729804655387	969.0
159.08979620013142	592.0
283.1418568903681	288.0
299.13568162396996	278.0
311.1364046228892	247.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425911
PEPMASS=1065.496855
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T12_49_1_9421.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Protegomycine 06 / PRT-1065 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCC(O)=N[C@H]1CCCCN=C(O)[C@@H](Cc2c[nH]c3ccccc23)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C1O
INCHI=InChI=1S/C59H68N8O11/c1-2-3-4-12-53(72)62-47-11-7-8-29-60-54(73)52(34-40-35-61-46-10-6-5-9-45(40)46)67-59(78)51(33-39-19-27-44(71)28-20-39)66-58(77)50(32-38-17-25-43(70)26-18-38)65-57(76)49(31-37-15-23-42(69)24-16-37)64-56(75)48(63-55(47)74)30-36-13-21-41(68)22-14-36/h5-6,9-10,13-28,35,47-52,61,68-71H,2-4,7-8,11-12,29-34H2,1H3,(H,60,73)(H,62,72)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,78)/t47-,48+,49-,50-,51+,52+/m0/s1
INCHIAUX=GEUIPWVWWBAPEK-UVOHZTKISA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425911
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425911
SCANS=7283
136.0734663178697	255.0
159.08955207137876	344.0
270.1569982315758	435.0
282.1814920232106	243.0
299.1365954948998	355.0
322.1526072437309	303.0
327.1306789556582	1086.0
350.14633209806516	658.0
372.2281506681407	344.0
385.2568064040288	352.0
390.23478839640376	281.0
395.24257481020663	380.0
396.2212950213087	283.0
413.25130050167326	2945.0
414.2552156357428	569.0
490.19115774486465	859.0
491.1953776970007	271.0
513.2116976147969	522.0
576.3149647542472	573.0
625.2636604434387	273.0
653.2602240955675	415.0
739.3773118419889	355.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425912
PEPMASS=1026.487101
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T12_49_1_9421.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Protegomycine 29 / PRT-1016 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCC(=O)N[C@H]1CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1
INCHI=InChI=1S/C57H67N7O11/c1-2-3-5-13-51(69)59-45-12-8-9-30-58-52(70)46(31-36-10-6-4-7-11-36)60-54(72)48(33-38-16-24-42(66)25-17-38)62-56(74)50(35-40-20-28-44(68)29-21-40)64-57(75)49(34-39-18-26-43(67)27-19-39)63-55(73)47(61-53(45)71)32-37-14-22-41(65)23-15-37/h4,6-7,10-11,14-29,45-50,65-68H,2-3,5,8-9,12-13,30-35H2,1H3,(H,58,70)(H,59,69)(H,60,72)(H,61,71)(H,62,74)(H,63,73)(H,64,75)/t45-,46+,47+,48+,49-,50-/m0/s1
INCHIAUX=LIWOFUXMONQELT-KYFCWSKPSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425912
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425912
SCANS=7337
129.10073188261106	243.0
136.07527014404005	346.0
231.14844174886196	382.0
299.13542006901565	441.0
327.1297405685549	505.0
356.22944251438133	466.0
374.24017170050536	1210.0
490.1946432197191	615.0
492.28129252484854	310.0
537.3093175697704	249.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425913
PEPMASS=332.291787
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T14_51_1_9423.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 331.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCCCCCC(=O)NCCc1ccccc1
INCHI=InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(24)23-20-19-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3,(H,23,24)
INCHIAUX=ANKKFXJHCGAFIY-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425913
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425913
SCANS=11984
103.05238746930866	133.0
105.0682029569489	1743.0
106.0704163274723	281.0
111.04164664461766	209.0
111.11704453533389	149.0
121.09904367638232	199.0
122.09412829399248	4647.0
123.09741582740885	207.0
129.05195643899057	613.0
151.14551993437638	143.0
185.11514350922988	230.0
195.17214468395696	134.0
205.86896566296758	131.0
211.20167965027406	201.0
213.14514296919864	183.0
228.2290422104459	367.0
249.85979481003068	153.0
250.86200700607256	149.0
254.86637401312785	245.0
255.15031267446602	131.0
255.86937195646215	130.0
259.1891338708572	134.0
268.8692532039881	142.0
272.8753458374722	367.0
279.232468463423	132.0
287.8950641822951	129.0
301.8995474891448	125.0
331.14344890702796	177.0
331.2053217724129	1359.0
332.2088020527939	321.0
332.2914038666587	8287.0
332.32701619365565	142.0
333.2157035241926	204.0
333.29466702491624	1496.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425914
PEPMASS=429.303557
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T16_53_1_9425.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Tetrapeptide linear all-L 428.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)O
INCHI=InChI=1S/C21H40N4O5/c1-10(2)9-14(23-19(27)15(22)11(3)4)18(26)24-16(12(5)6)20(28)25-17(13(7)8)21(29)30/h10-17H,9,22H2,1-8H3,(H,23,27)(H,24,26)(H,25,28)(H,29,30)/t14-,15-,16-,17-/m0/s1
INCHIAUX=MOHBOPUTLBRBRM-QAETUUGQSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425914
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425914
SCANS=5944
117.99692290391455	138.0
118.0841369564835	594.0
119.08804113200841	203.0
144.0408436722093	121.0
157.16826218821436	404.0
159.17306466406427	128.0
171.14748674779406	1348.0
172.14853101793014	151.0
174.05742279729603	166.0
185.12278042362945	119.0
185.14685141729166	119.0
185.15350714961252	118.0
185.16299932004776	57839.0
186.16634897667777	4054.0
187.16636396880202	118.0
187.16971768954753	140.0
189.15847498398676	501.0
195.10125583773	140.0
199.14217866620425	487.0
200.14639699887925	189.0
213.15776982172318	101911.0
213.1752653324722	201.0
213.24516793716856	224.0
214.16109446376495	10517.0
215.16298791387038	454.0
216.0816163010515	125.0
217.13994498399333	269.0
217.15258961169712	70129.0
218.15569901197054	4212.0
219.15724302456334	321.0
227.13670404917926	300.0
229.15135228611138	347.0
231.1664401588058	185.0
239.20807600068034	227.0
267.2046243405158	1136.0
268.20780084413997	523.0
284.2341093160761	142.0
299.21239046323603	125.0
312.22524103102995	9439.0
313.22878748856726	1193.0
330.23610449525574	4605.0
331.2388642832566	669.0
332.2426271871933	181.0
340.21606553724524	236.0
366.27058359513654	119.0
383.29791922749473	357.0
402.18323412936553	210.0
411.29061982124273	230.0
412.29511433717875	129.0
429.3033872156251	2683.0
430.3067737970589	660.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425915
PEPMASS=426.257694
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=NR_2025-02-03-T19_56_1_9428.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=lyso-Phosphatidyl ethanolamine (lyso- PE) 425.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425915
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425915
SCANS=8853
155.0072547621501	466.0
173.0190134016517	250.0
211.20358474485136	286.0
216.0625980624352	243.0
254.24580783087117	1102.0
285.23976244141414	8300.0
286.2423515298025	1312.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425916
PEPMASS=304.263056
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV11.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 303.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCCCC(=O)NCCc1ccccc1
INCHI=InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-13-16-20(22)21-18-17-19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3,(H,21,22)
INCHIAUX=VHETUFZJAFEOIC-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425916
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425916
SCANS=2723
103.05320739746094	601.0
105.06954193115234	10896.0
106.07230377197266	1093.0
122.0960464477539	20680.0
123.09957885742188	2364.0
183.1736602783203	1133.0
200.2002716064453	1774.0
304.26287841796875	39362.0
305.26568603515625	9345.0
306.27056884765625	673.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425917
PEPMASS=330.27885
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV11.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 329.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425917
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425917
SCANS=2833
105.06990051269531	4325.0
106.07286071777344	953.0
122.09620666503906	11881.0
123.09953308105469	1384.0
148.0758056640625	1825.0
190.12295532226562	935.0
191.17962646484375	1042.0
204.1385498046875	1615.0
232.17010498046875	871.0
329.2650146484375	2070.0
330.27911376953125	20882.0
331.2825927734375	5430.0
332.28662109375	707.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425918
PEPMASS=302.247638
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=20.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV13.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 301.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425918
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425918
SCANS=2595
105.06939697265625	10525.0
106.0728530883789	1960.0
121.10069274902344	785.0
122.09588623046875	17243.0
123.09968566894531	1687.0
148.07534790039062	4051.0
149.0782928466797	749.0
163.1482391357422	1069.0
181.15882873535156	644.0
190.1224365234375	2184.0
191.12518310546875	564.0
204.13739013671875	2448.0
218.15335083007812	848.0
232.16937255859375	909.0
246.1837158203125	619.0
301.2335510253906	1174.0
302.2472839355469	50307.0
303.2507019042969	11361.0
304.2532958984375	690.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425919
PEPMASS=358.310212
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=21.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV13.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 357.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425919
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425919
SCANS=3131
105.0693588256836	4935.0
106.0725326538086	525.0
121.10092163085938	554.0
122.09611511230469	12432.0
123.09930419921875	1045.0
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232.1704559326172	821.0
358.3099365234375	33923.0
359.3128967285156	7627.0
360.3160400390625	598.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425920
PEPMASS=384.326038
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=22.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV16.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 383.3 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCc1ccccc1
INCHI=InChI=1S/C26H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-24H2,1H3,(H,27,28)/b7-6-,10-9-
INCHIAUX=VTTCINWLVDFNTR-HZJYTTRNSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425920
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425920
SCANS=3241
103.05364990234375	2239.0
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316.2630920410156	2708.0
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321.3149108886719	10175.0
322.31805419921875	2307.0
328.2636413574219	2404.0
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342.2792663574219	1279.0
342.3158264160156	672.0
384.30609130859375	658.0
384.3260803222656	185948.0
384.3495788574219	2833.0
385.3293151855469	40980.0
386.3323669433594	3498.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425921
PEPMASS=388.356969
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=22.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV16.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 387.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCCCCCCCCCC(=O)NCCc1ccccc1
INCHI=InChI=1S/C26H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h16-18,20-21H,2-15,19,22-24H2,1H3,(H,27,28)
INCHIAUX=JSQYZHUPJQWKBQ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425921
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425921
SCANS=3668
103.05352020263672	577.0
105.06986236572266	5304.0
106.07281494140625	588.0
122.0962905883789	19958.0
123.09988403320312	1142.0
184.07273864746094	834.0
284.2943420410156	760.0
388.35711669921875	85328.0
388.3816833496094	545.0
389.3600769042969	21186.0
390.3639831542969	1831.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425922
PEPMASS=358.303518
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=21.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV17.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=cabanillasin358 [M+H]+
PI=H. Bode
DATACOLLECTOR=C. Pavesi
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425922
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425922
SCANS=126
114.10249328613281	2835.0
131.1294403076172	543.0
139.0971221923828	1492.0
156.12454223632812	869.0
168.14927673339844	608.0
185.17596435546875	7135.0
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202.20265197753906	5882.0
203.20774841308594	695.0
210.17135620117188	1774.0
211.1556854248047	559.0
227.19775390625	12325.0
228.1815643310547	4822.0
228.20162963867188	1322.0
229.18450927734375	550.0
244.2241668701172	1451.0
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269.2179870605469	1077.0
270.2035217285156	6201.0
271.2081604003906	825.0
298.2703552246094	1535.0
315.2973937988281	34510.0
316.30084228515625	4242.0
341.2771911621094	3288.0
342.2798767089844	846.0
357.3197021484375	5560.0
358.3034973144531	34864.0
358.3231201171875	1000.0
359.30633544921875	4935.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425923
PEPMASS=427.368044
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=23.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV17.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Tryptamide 426.4 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=CCCCCCCCCCCCCCCCCC(O)=NCCc1c[nH]c2ccccc12
INCHI=InChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31)
INCHIAUX=AIIVCXFBTONHDU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425923
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425923
SCANS=3398
115.05367279052734	1168.0
117.06974792480469	1704.0
127.05402374267578	606.0
132.08055114746094	1474.0
143.07247924804688	3828.0
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161.10704040527344	52182.0
162.11021423339844	4848.0
267.2675476074219	518.0
284.2940673828125	5912.0
285.298095703125	1249.0
310.3096923828125	1814.0
410.34100341796875	25393.0
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427.25140380859375	1033.0
427.3674011230469	33043.0
428.2508239746094	532.0
428.370849609375	7646.0
429.3741149902344	1328.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425924
PEPMASS=272.200347
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=19.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV18.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Phenylethylamide 271.2 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=C/C(C)=C\CCC(/C)=C/C(=O)NCCc1ccccc1
INCHI=InChI=1S/C18H25NO/c1-15(2)8-7-9-16(3)14-18(20)19-13-12-17-10-5-4-6-11-17/h4-6,8,10-11,14H,7,9,12-13H2,1-3H3,(H,19,20)/b16-14+
INCHIAUX=HJCQPQVHNVJPMK-JQIJEIRASA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425924
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425924
SCANS=2240
103.0535888671875	3855.0
104.05743408203125	514.0
105.06950378417969	79428.0
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122.09603881835938	38652.0
123.08024597167969	2393.0
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124.12000274658203	810.0
125.13273620605469	682.0
130.06459045410156	1661.0
131.08416748046875	525.0
133.10064697265625	16933.0
134.1042938232422	1295.0
148.07528686523438	30231.0
149.0786895751953	2616.0
151.1114044189453	139836.0
151.12599182128906	953.0
152.1146697998047	12881.0
153.11817932128906	782.0
168.13772583007812	3838.0
169.14157104492188	722.0
174.1278839111328	688.0
180.1378173828125	626.0
188.1436004638672	528.0
190.12232971191406	3055.0
191.12513732910156	619.0
194.15386962890625	778.0
202.12100219726562	877.0
204.13800048828125	3870.0
216.13754272460938	2408.0
218.15321350097656	1576.0
230.15365600585938	1256.0
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272.2004089355469	247728.0
272.2204895019531	3447.0
273.20355224609375	39896.0
274.2064514160156	2343.0
274.21539306640625	2805.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425925
PEPMASS=1286.807619
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=45.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV21.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenoamicin 1285.8 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
SMILES=N/A
INCHI=N/A
INCHIAUX=N/A
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425925
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425925
SCANS=2270
310.17584228515625	1018.0
324.19158935546875	745.0
423.2591552734375	1099.0
437.2746276855469	992.0
536.3435668945312	1180.0
550.357666015625	556.0
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668.4332275390625	2967.0
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1288.8128662109375	2328.0
1289.818115234375	572.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00017425926
PEPMASS=1300.823174
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=46.0
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=DV21.mzXML
SEQ=*..*
IONMODE=Positive
ORGANISM=GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY
NAME=Xenoamicin 1299.8 [M+H]+
PI=H. Bode
DATACOLLECTOR=L. Niemeyer
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INCHI=InChI=1S/C64H109N13O15/c1-19-23-44(78)76-28-21-24-42(76)56(83)66-39(17)54(81)69-47(33(7)8)59(86)68-41(30-31(3)4)55(82)74-51(37(15)20-2)62(89)75-52-40(18)92-64(91)50(36(13)14)73-57(84)43-25-22-29-77(43)45(79)26-27-65-53(80)38(16)67-58(85)46(32(5)6)70-60(87)48(34(9)10)71-61(88)49(35(11)12)72-63(52)90/h31-43,46-52H,19-30H2,1-18H3,(H,65,80)(H,66,83)(H,67,85)(H,68,86)(H,69,81)(H,70,87)(H,71,88)(H,72,90)(H,73,84)(H,74,82)(H,75,89)/t37-,38-,39-,40-,41-,42+,43-,46+,47+,48-,49+,50+,51+,52-/m1/s1
INCHIAUX=JQWFRQJTZVLPIQ-HSIBCVILSA-N
PUBMED=N/A
SUBMITUSER=jzemlin
LIBRARYQUALITY=2
SPECTRUMID=CCMSLIB00017425926
USI=mzspec:GNPS:GNPS-XENORHABDUS-PHOTORHABDUS-COMPOUNDS-LIBRARY:accession:CCMSLIB00017425926
SCANS=2404
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286.17529296875	669.0
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END IONS

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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS