BEGIN IONS
TITLE=CCMSLIB00000577491
PEPMASS=1196.73
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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SPECTRUMID=CCMSLIB00000577491
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577491
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577492
PEPMASS=485.303
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=dolastatin_12_08860_dereplictor_pv_4.79376e-55 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577492
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577493
PEPMASS=732.41
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
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PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577493
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577495
PEPMASS=594.92
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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FILENAME=spectra_from_json.mgf
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SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577495
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577495
SCANS=5
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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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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577505
PEPMASS=609.929
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Leucinostatin_A;_CC-1014;_ICI_13959;_M_1_25699_dereplictor_pv_1.45522e-41 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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INCHIAUX=FOAIGCPESMNWQP-BHDPXXJYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577505
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577505
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577506
PEPMASS=559.901
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Leucinostatin_D;_Paecilotoxin_D_26974_dereplictor_pv_5.98387e-41 [M+2H]2+
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577510
PEPMASS=601.927
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Cyclosporin-X_26892_dereplictor_pv_8.556e-39 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]O[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])[H])[C@]1([H])N(C(=O)[C@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)C([H])([H])N(C(=O)C(N([H])C1=O)(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C62H111N11O12/c1-25-27-28-40(15)51(75)50-56(80)67-62(18,26-2)61(85)68(19)33-47(74)69(20)44(30-35(5)6)55(79)66-48(38(11)12)59(83)70(21)45(31-36(7)8)54(78)64-41(16)52(76)63-42(17)53(77)65-43(29-34(3)4)57(81)71(22)46(32-37(9)10)58(82)72(23)49(39(13)14)60(84)73(50)24/h25,27,34-46,48-51,75H,26,28-33H2,1-24H3,(H,63,76)(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-25+/t40-,41+,42-,43+,44+,45-,46+,48+,49-,50+,51-,62?/m1/s1
INCHIAUX=NLFFXMBOSJPYPH-DROSAARYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577510
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577510
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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1288.552856	516.0
1294.536133	776.0
1295.527222	712.0
1296.542847	380.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577516
PEPMASS=985.603
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577517
PEPMASS=533.865
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichogin-A-IV;_GA_IV_32359_dereplictor_pv_7.41651e-36 [M+2H]2+
PI=Pevzner
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577517
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577518
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577520
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COLLISION_ENERGY=N/A
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1020.736938	364.0
1103.758179	388.0
1104.643311	252.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577523
PEPMASS=642.046
CHARGE=3
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577524
PEPMASS=818.049
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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1128.730347	332.0
1284.88623	668.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577525
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CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577525
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577526
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CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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SEQ=*..*
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PI=Pevzner
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1062.57666	820.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577527
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577528
PEPMASS=1216.86
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577531
PEPMASS=867.535
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577534
PEPMASS=1036.69
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Esperin_25136_dereplictor_pv_2.4944e-30 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)C([H])([H])C([H])([H])C1([H])N([H])C(=O)C([H])([H])C([H])(OC(=O)C([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
INCHI=InChI=1S/C53H93N7O13/c1-12-13-14-15-16-17-18-19-20-21-22-36-29-43(61)54-37(23-24-44(62)63)47(65)55-38(25-31(2)3)48(66)57-40(27-33(6)7)51(69)60-46(35(10)11)52(70)58-41(30-45(64)73-36)50(68)56-39(26-32(4)5)49(67)59-42(53(71)72)28-34(8)9/h31-42,46H,12-30H2,1-11H3,(H,54,61)(H,55,65)(H,56,68)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,62,63)(H,71,72)
INCHIAUX=SRKFOZNBQSMQFE-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577534
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577534
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577537
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END IONS

BEGIN IONS
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SMILES=[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C1=O)C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
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SCANS=48
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386.213531	636.0
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636.339539	14440.0
637.343201	6424.0
638.345032	1336.0
674.279785	396.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577539
PEPMASS=1007.67
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577539
SCANS=49
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1007.676636	4816.0
1008.673035	2476.0
1009.670105	864.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577540
PEPMASS=609.927
CHARGE=2
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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PI=Pevzner
DATACOLLECTOR=N/A
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577542
PEPMASS=983.58
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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COLLISION_ENERGY=N/A
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SCANS=62
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577553
PEPMASS=711.879
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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PI=Pevzner
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1971.377808	144.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577554
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COLLISION_ENERGY=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577555
PEPMASS=1126.69
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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DATACOLLECTOR=N/A
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INCHI=InChI=1S/C54H95N9O16/c1-13-14-15-16-17-18-34(66)25-42(67)55-36(21-28(2)3)47(71)56-35(19-20-43(68)69)46(70)63-45-33(12)79-54(78)39(24-31(8)9)59-51(75)41(27-65)61-48(72)37(22-29(4)5)57-50(74)40(26-64)60-49(73)38(23-30(6)7)58-52(76)44(32(10)11)62-53(45)77/h28-41,44-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,75)(H,60,73)(H,61,72)(H,62,77)(H,63,70)(H,68,69)/t33?,34-,35+,36-,37-,38-,39-,40+,41+,44?,45?/m0/s1
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SPECTRUMID=CCMSLIB00000577555
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577555
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BEGIN IONS
TITLE=CCMSLIB00000577556
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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SUBMITUSER=mwang87
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577558
PEPMASS=630.718
CHARGE=3
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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SEQ=*..*
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577563
PEPMASS=810.867
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577563
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END IONS

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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577568
PEPMASS=1255.64
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Actinomycin D-CDM-WM-IM [M+H]+
PI=Dorrestein
DATACOLLECTOR=N/A
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INCHIAUX=LEUAWWAGKOFKNV-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577568
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577568
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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1045.649292	484.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577578
PEPMASS=852.523
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichovirin_II_1a_45754_dereplictor_pv_1.88999e-24 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C1([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C79H138N20O21/c1-26-79(25,96-62(110)49(30-32-54(81)103)87-59(107)45(11)85-61(109)50(35-41(4)5)88-58(106)44(10)84-55(104)37-82-66(114)73(13,14)92-46(12)101)71(119)91-57(43(8)9)65(113)95-74(15,16)67(115)83-38-56(105)93-76(19,20)69(117)98-78(23,24)72(120)99-33-27-28-52(99)64(112)89-51(36-42(6)7)63(111)94-77(21,22)70(118)97-75(17,18)68(116)90-48(29-31-53(80)102)60(108)86-47(39-100)34-40(2)3/h40-45,47-52,57,100H,26-39H2,1-25H3,(H2,80,102)(H2,81,103)(H,82,114)(H,83,115)(H,84,104)(H,85,109)(H,86,108)(H,87,107)(H,88,106)(H,89,112)(H,90,116)(H,91,119)(H,92,101)(H,93,105)(H,94,111)(H,95,113)(H,96,110)(H,97,118)(H,98,117)
INCHIAUX=FGLKWUFRMRITAZ-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577578
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577578
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577580
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708.337708	156.0
747.191162	156.0
776.333557	240.0
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792.349121	144.0
792.419189	140.0
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796.608643	148.0
1544.185059	172.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577581
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716.47113	108.0
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779.511963	152.0
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825.555969	156.0
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937.620972	112.0
1025.759888	188.0
1045.654541	112.0
1046.637085	216.0
1058.676514	392.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577582
PEPMASS=601.931
CHARGE=2
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INCHI=InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43-,44+,45-,46+,47+,49+,50-,51+,52-/m1/s1
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SCANS=92
107.967598	188.0
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511.371063	120.0
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638.462646	144.0
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788.581848	144.0
807.548645	216.0
933.701782	220.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577583
PEPMASS=983.082
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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SEQ=*..*
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PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C1([H])N(C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
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INCHIAUX=GTYCTZPHNVWRBI-UHFFFAOYSA-N
PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577583
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577583
SCANS=93
197.125214	572.0
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1177.693726	1060.0
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1193.737183	424.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577584
PEPMASS=1168.75
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577585
PEPMASS=441.246
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
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NAME=carriebowmide_20013_dereplictor_pv_2.0869e-23 [M+2H]2+
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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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629.213928	272.0
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630.360535	516.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577593
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577600
PEPMASS=867.536
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577603
PEPMASS=646.377
CHARGE=3
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577603
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577603
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577604
PEPMASS=644.35
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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PI=Pevzner
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PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577604
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577604
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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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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577609
PEPMASS=874.541
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichokindin-IVa_31403_dereplictor_pv_2.08759e-21 [M+2H]2+
PI=Pevzner
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INCHIAUX=KXMHGXUEXOLSLS-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577609
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577609
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577612
PEPMASS=672.391
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=palmyramide_A_21565_dereplictor_pv_4.7381e-21 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)[C@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(OC(=O)[C@@]([H])(OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(OC(=O)[C@]1([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C36H53N3O9/c1-10-15-27-36(7,8)35(45)46-23(6)33(43)47-26(20-24-16-12-11-13-17-24)32(42)39-19-14-18-25(39)31(41)38(9)29(22(4)5)30(40)37-28(21(2)3)34(44)48-27/h11-13,16-17,21-23,25-29H,10,14-15,18-20H2,1-9H3,(H,37,40)/t23-,25-,26-,27+,28-,29+/m0/s1
INCHIAUX=QXWOTWUQMDHDCF-UEPNLWJJSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577612
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577612
SCANS=122
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577613
PEPMASS=866.542
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577613
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577614
PEPMASS=655.41
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Anthranicine_58306_dereplictor_pv_5.26591e-21 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
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1810.08252	200.0
1837.801636	280.0
1849.347046	232.0
1939.565796	196.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577615
PEPMASS=642.323
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Cycloaspeptide_A_28892_dereplictor_pv_9.88635e-21 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C2=C(N([H])C1=O)C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C36H43N5O6/c1-22(2)19-29-36(47)41(5)31(21-25-15-17-26(42)18-16-25)33(44)38-28-14-10-9-13-27(28)32(43)37-23(3)35(46)40(4)30(34(45)39-29)20-24-11-7-6-8-12-24/h6-18,22-23,29-31,42H,19-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45)/t23-,29-,30-,31-/m0/s1
INCHIAUX=UPNQAUFZWGKHGZ-IAURBROLSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577615
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577615
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577616
PEPMASS=724.407
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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INCHIAUX=AKORZGHZNSWPMF-PDCWOKCTSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00000577616
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577616
SCANS=126
226.121719	840.0
247.111359	540.0
249.160202	652.0
264.135437	416.0
302.133972	488.0
368.280823	1028.0
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637.338196	360.0
645.426453	452.0
724.410461	572.0
921.563721	556.0
1080.527222	336.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577617
PEPMASS=851.424
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Grividomycin-III;_5-(4-Methylisoleucine)_34976_dereplictor_pv_1.16587e-20 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C([H])C([H])=C([H])N=C1C(=O)N([H])C1([H])C(=O)N([H])C([H])(C(=O)N2C([H])([H])C([H])(O[H])C([H])([H])C2([H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C(=O)OC1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C42H58N8O11/c1-22(2)17-28-40(58)50-20-27(51)18-29(50)41(59)48(7)21-31(53)46-33(24(5)23(3)4)37(55)44-19-32(54)49(8)36(26-13-10-9-11-14-26)42(60)61-25(6)34(38(56)45-28)47-39(57)35-30(52)15-12-16-43-35/h9-16,22-25,27-29,33-34,36,51-52H,17-21H2,1-8H3,(H,44,55)(H,45,56)(H,46,53)(H,47,57)
INCHIAUX=TUJRUERDQFWDIL-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577617
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577617
SCANS=127
185.096497	580.0
205.059219	932.0
256.164886	1800.0
290.150879	620.0
298.173401	3468.0
299.180267	732.0
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780.391235	648.0
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823.433411	896.0
824.431458	484.0
851.429688	4304.0
852.42749	3160.0
853.428162	1180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577618
PEPMASS=1189.78
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichorozin-IV_33290_dereplictor_pv_1.37669e-20 [M+H]+
PI=Pevzner
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577619
PEPMASS=1175.77
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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FILENAME=spectra_from_json.mgf
SEQ=*..*
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INCHIAUX=FWNVJYNXEWXTEC-UHFFFAOYSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00000577619
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577619
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577620
PEPMASS=626.404
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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SEQ=*..*
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577620
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630.724365	348.0
644.411011	3128.0
645.413147	1760.0
646.383972	456.0
646.419617	448.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577621
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COLLISION_ENERGY=N/A
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577621
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577622
PEPMASS=794.471
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577623
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577624
PEPMASS=1036.69
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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SEQ=*..*
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577625
PEPMASS=879.468
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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END IONS

BEGIN IONS
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SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Destruxin_E1_25015_dereplictor_pv_4.82044e-20 [M+H]+
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SMILES=[H]N1C(=O)C([H])(N(C(=O)C([H])(N(C(=O)C([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@]([H])(OC(=O)C([H])([H])C1([H])[H])C([H])([H])C1([H])OC1([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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INCHIAUX=ZYTHYMZQQBWDDS-LSGBTAIHSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577626
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577626
SCANS=136
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611.382385	1016.0
612.260071	424.0
612.331299	536.0
612.386597	648.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577627
PEPMASS=1050.71
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=[Leu7]-Surfactin_C14i_dimethyl_ester_45035_dereplictor_pv_4.96343e-20 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)C([H])([H])C([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C54H95N7O13/c1-31(2)21-19-17-15-16-18-20-22-37-29-44(62)55-38(23-24-45(63)72-13)48(65)56-39(25-32(3)4)49(66)58-41(27-34(7)8)52(69)61-47(36(11)12)53(70)59-42(30-46(64)73-14)51(68)57-40(26-33(5)6)50(67)60-43(28-35(9)10)54(71)74-37/h31-43,47H,15-30H2,1-14H3,(H,55,62)(H,56,65)(H,57,68)(H,58,66)(H,59,70)(H,60,67)(H,61,69)/t37?,38-,39+,40-,41?,42+,43+,47+/m1/s1
INCHIAUX=TVXGPIYFIDVWST-LGXMGPIVSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577627
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577627
SCANS=137
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577632
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CHARGE=2
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577632
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END IONS

BEGIN IONS
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363.162781	920.0
374.177734	752.0
377.181702	524.0
387.191254	744.0
397.182373	364.0
405.175323	724.0
418.21286	712.0
433.173676	784.0
436.225037	12608.0
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450.198669	1064.0
451.182312	2224.0
457.212402	10272.0
458.218903	2692.0
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468.205536	4632.0
469.209717	1360.0
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484.215668	504.0
488.215363	532.0
491.25882	704.0
493.244263	692.0
501.234131	2324.0
502.240662	640.0
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506.223999	460.0
509.274506	1044.0
519.263123	2324.0
520.267212	640.0
521.26001	384.0
537.269897	6908.0
538.270996	3228.0
539.266541	508.0
581.291199	924.0
584.261414	340.0
585.261047	408.0
588.282715	824.0
589.293579	412.0
602.285339	504.0
606.289734	2384.0
607.291443	1024.0
608.290344	488.0
616.278137	508.0
623.317627	956.0
633.308105	2652.0
634.306458	1096.0
651.312256	5120.0
652.31427	2328.0
653.311096	536.0
711.342041	460.0
720.347595	356.0
721.324646	1836.0
722.325012	632.0
732.320801	464.0
738.340393	2804.0
739.336304	5248.0
740.336731	2604.0
741.335266	576.0
749.346069	384.0
756.357605	28720.0
757.360474	10508.0
758.366394	3112.0
759.364258	560.0
794.38208	604.0
795.374268	404.0
1020.473206	1144.0
1021.479919	640.0
1022.484436	492.0
1037.496338	4304.0
1038.50293	1772.0
1039.512695	696.0
1040.508057	348.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577637
PEPMASS=828.972
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Cephaibol-C_45823_dereplictor_pv_1.30304e-19 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([H])C([H])(N([H])C(=O)C1([H])N(C(=O)C(N([H])C(=O)C2([H])N(C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C3([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(O[H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
INCHI=InChI=1S/C81H125N17O20/c1-20-81(19,91-62(107)53(36-45(2)3)86-59(104)41-83-66(111)74(5,6)92-68(113)76(9,10)94-69(114)77(11,12)93-67(112)75(7,8)88-61(106)54(84-46(4)100)38-48-30-25-22-26-31-48)70(115)95-80(17,18)73(118)97-42-50(101)39-56(97)64(109)87-52(33-34-58(82)103)60(105)89-79(15,16)72(117)98-43-51(102)40-57(98)65(110)90-78(13,14)71(116)96-35-27-32-55(96)63(108)85-49(44-99)37-47-28-23-21-24-29-47/h21-26,28-31,45,49-57,99,101-102H,20,27,32-44H2,1-19H3,(H2,82,103)(H,83,111)(H,84,100)(H,85,108)(H,86,104)(H,87,109)(H,88,106)(H,89,105)(H,90,110)(H,91,107)(H,92,113)(H,93,112)(H,94,114)(H,95,115)
INCHIAUX=GXDCOMRETADJBG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577637
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577637
SCANS=147
45.331688	252.0
152.106079	168.0
242.112854	156.0
249.159119	2460.0
250.159393	400.0
250.73436	240.0
275.139221	424.0
327.169983	912.0
327.222534	252.0
328.16626	296.0
328.227051	232.0
341.221344	284.0
360.191833	588.0
361.197754	196.0
381.20459	200.0
437.192993	420.0
440.209259	348.0
440.293579	464.0
445.243744	1812.0
446.243774	496.0
447.254639	388.0
454.255371	212.0
497.28125	488.0
525.262512	572.0
526.273193	208.0
538.710999	232.0
544.31427	1196.0
545.308899	784.0
546.325012	164.0
582.325928	248.0
601.33844	396.0
602.351624	204.0
630.379639	232.0
663.361633	160.0
667.378601	328.0
714.419617	304.0
715.414978	220.0
773.412842	780.0
774.416992	480.0
775.429199	220.0
780.316406	260.0
781.422302	236.0
799.455811	192.0
800.47583	220.0
829.486633	284.0
829.96521	260.0
865.485352	220.0
866.485596	168.0
884.535522	396.0
885.532166	576.0
886.528076	284.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577638
PEPMASS=1174.81
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=[Ala(2)_Val(11)]Cyclosporin_43559_dereplictor_pv_1.42104e-19 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([C@]([H])(C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])[H])[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)C([H])([H])N(C(=O)[C@]([H])(N([H])C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C60H107N11O12/c1-24-25-26-38(14)50(73)49-55(78)63-40(16)56(79)66(18)31-46(72)67(19)42(27-32(2)3)53(76)64-47(36(10)11)59(82)69(21)43(28-33(4)5)52(75)61-39(15)51(74)62-41(17)57(80)70(22)45(30-35(8)9)58(81)68(20)44(29-34(6)7)54(77)65-48(37(12)13)60(83)71(49)23/h24-25,32-45,47-50,73H,26-31H2,1-23H3,(H,61,75)(H,62,74)(H,63,78)(H,64,76)(H,65,77)/b25-24+/t38-,39+,40-,41-,42+,43-,44+,45+,47+,48+,49+,50?/m1/s1
INCHIAUX=VLTSBRYDSJPRRG-BTZTTWLKSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577638
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577638
SCANS=148
171.148361	444.0
175.143768	280.0
194.117172	316.0
210.151947	308.0
227.172363	312.0
241.192001	404.0
270.188568	320.0
298.209076	604.0
308.205078	280.0
323.224121	1344.0
324.220184	292.0
326.189667	276.0
341.239868	260.0
354.278412	748.0
425.283295	780.0
425.294983	920.0
425.312622	1624.0
426.317383	644.0
435.292786	296.0
453.30481	448.0
496.346069	460.0
534.32373	724.0
535.33313	528.0
567.390015	616.0
568.340576	384.0
568.389221	304.0
599.410828	400.0
623.411804	496.0
623.460388	352.0
661.432312	380.0
661.477173	600.0
662.402527	292.0
662.475769	476.0
679.406372	340.0
694.428223	316.0
822.528748	376.0
920.663635	264.0
1061.719238	292.0
1061.765381	372.0
1062.730225	484.0
1157.708496	524.0
1174.777954	1660.0
1174.820435	2092.0
1175.6073	348.0
1175.731812	1176.0
1175.811401	1412.0
1176.725098	936.0
1176.812988	996.0
1177.764282	420.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577639
PEPMASS=865.443
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Etamycin_VI-2_33977_dereplictor_pv_1.71323e-19 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C(N=C([H])C([H])=C1[H])C(=O)N([H])C1([H])C(=O)N([H])C([H])(C(=O)N2C([H])([H])[C@]([H])(O[H])C([H])([H])C2([H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N(C([H])([H])[H])C([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C(=O)OC1([H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
INCHI=InChI=1S/C43H60N8O11/c1-10-23(4)32-42(60)51-20-28(52)19-29(51)41(59)49(8)21-31(54)46-33(24(5)22(2)3)37(55)45-25(6)40(58)50(9)36(27-15-12-11-13-16-27)43(61)62-26(7)34(38(56)47-32)48-39(57)35-30(53)17-14-18-44-35/h11-18,22-26,28-29,32-34,36,52-53H,10,19-21H2,1-9H3,(H,45,55)(H,46,54)(H,47,56)(H,48,57)/t23?,24?,25?,26?,28-,29?,32?,33?,34?,36?/m1/s1
INCHIAUX=XAZVYFZBPRFBMH-UILHFNNNSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577639
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577639
SCANS=149
185.087097	440.0
199.139481	528.0
205.055435	640.0
270.180542	1192.0
290.144501	492.0
312.187714	1256.0
318.147705	932.0
381.255005	416.0
383.23233	2612.0
384.22998	1252.0
455.226959	476.0
483.222687	516.0
530.313171	412.0
548.310303	604.0
596.282288	372.0
794.41626	480.0
837.450928	744.0
838.451782	604.0
863.473938	824.0
864.480957	448.0
865.451172	4096.0
866.453552	2328.0
867.459839	800.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577640
PEPMASS=994.644
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=[Val7]-Surfactin_C13ai_44988_dereplictor_pv_2.44554e-19 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
INCHI=InChI=1S/C50H87N7O13/c1-13-32(12)18-16-14-15-17-19-33-25-39(58)51-34(20-21-40(59)60)44(63)52-35(22-27(2)3)45(64)53-36(23-28(4)5)47(66)56-42(30(8)9)49(68)55-38(26-41(61)62)46(65)54-37(24-29(6)7)48(67)57-43(31(10)11)50(69)70-33/h27-38,42-43H,13-26H2,1-12H3,(H,51,58)(H,52,63)(H,53,64)(H,54,65)(H,55,68)(H,56,66)(H,57,67)(H,59,60)(H,61,62)/t32?,33?,34-,35+,36?,37-,38+,42+,43+/m1/s1
INCHIAUX=ZJNHNDJYASOIMA-HRLBIGRMSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577640
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577640
SCANS=150
227.169968	356.0
324.215088	476.0
328.185242	544.0
342.220764	496.0
343.236053	392.0
346.192352	332.0
441.278687	568.0
445.262207	376.0
455.31076	364.0
554.365356	360.0
568.394043	716.0
667.468201	592.0
671.435669	1484.0
672.432129	504.0
782.485107	408.0
976.63208	616.0
977.643433	404.0
994.640137	1552.0
995.652283	988.0
996.652954	532.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577641
PEPMASS=907.498
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Aselacin-C_34685_dereplictor_pv_2.53901e-19 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([H])[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])[C@]([H])(OC(=O)C([H])([H])N([H])C1=O)C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
INCHI=InChI=1S/C46H66N8O11/c1-3-4-5-6-7-9-12-17-32(56)18-13-10-8-11-14-21-39(58)51-35(22-23-38(47)57)44(62)54-42-30(2)65-41(60)28-50-43(61)37(29-55)53-45(63)36(52-40(59)24-25-48-46(42)64)26-31-27-49-34-20-16-15-19-33(31)34/h7,9,12,15-17,19-20,27,30,35-37,42,49,55H,3-6,8,10-11,13-14,18,21-26,28-29H2,1-2H3,(H2,47,57)(H,48,64)(H,50,61)(H,51,58)(H,52,59)(H,53,63)(H,54,62)/b9-7+,17-12+/t30-,35-,36-,37-,42+/m1/s1
INCHIAUX=ARKPSPWBJDFWAE-GFDFNCKZSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577641
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577641
SCANS=151
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141.065857	252.0
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151.110214	500.0
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155.082092	1112.0
159.094696	1756.0
160.100952	484.0
161.13623	724.0
163.05864	468.0
163.106903	476.0
168.105286	300.0
170.047455	272.0
170.119858	1552.0
173.135162	492.0
181.077133	272.0
183.084732	528.0
183.931808	380.0
187.078781	816.0
190.116516	280.0
194.080795	452.0
195.078354	712.0
197.098373	476.0
199.08345	428.0
200.105301	544.0
201.081116	496.0
201.105728	276.0
207.115311	292.0
207.144257	480.0
210.165497	280.0
210.199295	256.0
212.103256	1152.0
213.101334	696.0
216.095795	472.0
221.128815	260.0
225.115097	288.0
228.104126	472.0
229.101791	2040.0
230.133377	1344.0
231.138489	596.0
232.126556	276.0
241.097549	1872.0
242.082779	384.0
242.108643	260.0
242.198105	600.0
252.144226	384.0
255.100159	268.0
256.086304	268.0
256.133789	320.0
257.099518	408.0
258.127136	2692.0
259.12616	804.0
259.193939	768.0
260.212006	488.0
263.137726	460.0
266.124298	1032.0
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577644
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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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775.451355	512.0
775.918396	468.0
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782.940918	444.0
845.466187	312.0
853.96991	400.0
854.439636	252.0
925.441101	404.0
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577652
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SPECTRUMID=CCMSLIB00000577652
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SCANS=162
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END IONS

BEGIN IONS
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PEPMASS=866.539
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichotoxin-A;_27342_dereplictor_pv_1.49747e-18 [M+2H]2+
PI=Pevzner
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577654
PEPMASS=866.542
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichorzin_HA-5_40431_dereplictor_pv_1.49747e-18 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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587.198059	184.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577660
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577661
PEPMASS=739.415
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SCANS=171
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BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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SCANS=184
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689.446838	856.0
690.130493	200.0
690.444031	648.0
691.461548	476.0
803.095276	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577675
PEPMASS=727.513
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SCANS=185
63.414101	156.0
111.576118	168.0
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156.087448	168.0
165.0905	184.0
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728.461304	180.0
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731.267334	108.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577676
PEPMASS=888.548
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichokindin-VI;_(Trichokindin-IX)_31408_dereplictor_pv_5.58863e-17 [M+2H]2+
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INCHI=InChI=1S/C83H146N20O22/c1-28-81(25,99-62(113)51(34-36-57(85)108)91-72(123)82(26,29-2)102-70(121)79(21,22)95-58(109)46(10)86-61(112)54(42-105)93-67(118)75(13,14)94-48(12)106)71(122)92-53(40-45(8)9)64(115)96-76(15,16)66(117)87-47(11)59(110)98-83(27,30-3)73(124)101-80(23,24)74(125)103-37-31-32-55(103)65(116)89-52(39-44(6)7)63(114)97-78(19,20)69(120)100-77(17,18)68(119)90-50(33-35-56(84)107)60(111)88-49(41-104)38-43(4)5/h43-47,49-55,104-105H,28-42H2,1-27H3,(H2,84,107)(H2,85,108)(H,86,112)(H,87,117)(H,88,111)(H,89,116)(H,90,119)(H,91,123)(H,92,122)(H,93,118)(H,94,106)(H,95,109)(H,96,115)(H,97,114)(H,98,110)(H,99,113)(H,100,120)(H,101,124)(H,102,121)
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577676
SCANS=186
270.160339	268.0
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893.005005	324.0
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1150.577026	356.0
1150.660522	996.0
1151.655884	328.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577677
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SEQ=*..*
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577677
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577677
SCANS=187
158.120972	408.0
176.130432	720.0
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198.15123	788.0
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229.152145	1284.0
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503.333252	588.0
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507.343597	1228.0
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682.472046	4784.0
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684.480225	436.0
700.469604	440.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577678
PEPMASS=977.59
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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INCHIAUX=DFHDGRZCTHONRC-RBFNLMEMSA-N
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SPECTRUMID=CCMSLIB00000577678
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577678
SCANS=188
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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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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577695
PEPMASS=1120.77
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Leucinostatin_N_33024_dereplictor_pv_6.60556e-16 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])(N([H])C(=O)C1([H])N(C(=O)C(\[H])=C(/[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C1([H])[H])C(=O)N([H])C([H])(C(=O)N([H])C(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C(C(=O)N([H])C(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])(C([H])([H])[H])C([H])([H])N([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C56H101N11O12/c1-19-34(8)20-21-43(70)67-29-35(9)27-41(67)49(75)61-40(26-36(10)30-68)47(73)63-44(45(71)33(6)7)50(76)65-55(14,15)52(78)62-38(24-31(2)3)46(72)60-39(25-32(4)5)48(74)64-56(16,17)53(79)66-54(12,13)51(77)58-23-22-42(69)59-37(11)28-57-18/h20-21,31-41,44-45,57,68,71H,19,22-30H2,1-18H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b21-20+/t34-,35?,36?,37?,38?,39?,40?,41?,44?,45?/m1/s1
INCHIAUX=GXDQZGCYZTUMNE-PJQDMJGNSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577695
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577695
SCANS=205
245.18306	308.0
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1121.783081	752.0
1122.635986	284.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577696
PEPMASS=686.479
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Pepstatin_A;_Ahpatinin_C;_Pepsin_S_735A;_26168_dereplictor_pv_6.83756e-16 [M+H]+
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577697
PEPMASS=644.431
CHARGE=1
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577698
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577699
PEPMASS=1629.05
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END IONS

BEGIN IONS
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118.122612	260.0
142.085403	2388.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577701
PEPMASS=585.303
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577702
PEPMASS=656.404
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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SEQ=*..*
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BEGIN IONS
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BEGIN IONS
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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

BEGIN IONS
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577708
SCANS=218
120.08165	760.0
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672.442383	2252.0
673.1474	380.0
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673.438904	1428.0
674.446899	604.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577709
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SCANS=219
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675.392456	552.0
675.446045	720.0
676.409668	296.0
676.460205	368.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577710
PEPMASS=976.568
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
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INCHIAUX=KKOVQBMPSSIEKB-GRAZTTDGSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00000577710
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577710
SCANS=220
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1449.861816	452.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577711
PEPMASS=874.539
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichorzin_MA-2;_Trichoharzin_MA-2_40434_dereplictor_pv_1.44278e-15 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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SPECTRUMID=CCMSLIB00000577711
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577711
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1251.785034	880.0
1252.80249	412.0
1790.640625	464.0
1811.678467	316.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577712
PEPMASS=1042.55
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Ilamycin;_Ilamycin_A;_Rufomycin_A;_Rufom_25446_dereplictor_pv_1.68621e-15 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C([H])C([H])=C(C([H])=C1[N+]([O-])=O)C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])=O)C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])[H])C([H])([H])C1=C([H])N(C2=C([H])C([H])=C([H])C([H])=C12)C(C([H])([H])[H])(C([H])([H])[H])C1([H])OC1([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C54H75N9O12/c1-12-13-17-37-47(66)59-40(26-35-27-62(54(8,9)46-29-75-46)41-18-15-14-16-36(35)41)53(72)61(11)43(22-31(4)5)50(69)58-39(24-34-19-20-45(65)42(25-34)63(73)74)48(67)55-33(7)52(71)60(10)44(23-32(6)28-64)51(70)57-38(21-30(2)3)49(68)56-37/h12-16,18-20,25,27-28,30-33,37-40,43-44,46,65H,17,21-24,26,29H2,1-11H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b13-12+/t32?,33-,37-,38-,39-,40-,43-,44-,46?/m0/s1
INCHIAUX=LFLLNSOGBQWVEW-ZGAVADICSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00000577712
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577712
SCANS=222
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1024.551392	7284.0
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1026.555908	1112.0
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1042.557739	864.0
1043.570068	368.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577713
PEPMASS=638.377
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Destruxin_D1_25013_dereplictor_pv_1.73408e-15 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)C([H])(C([H])([H])[H])C([H])([H])[C@@]1([H])OC(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(N(C(=O)C([H])(N(C(=O)C([H])(N([H])C(=O)[C@@]2([H])N(C1=O)C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C31H51N5O9/c1-9-18(4)24-29(41)35(8)25(17(2)3)30(42)34(7)20(6)26(38)32-14-13-23(37)45-22(16-19(5)31(43)44)28(40)36-15-11-10-12-21(36)27(39)33-24/h17-22,24-25H,9-16H2,1-8H3,(H,32,38)(H,33,39)(H,43,44)/t18?,19?,20?,21-,22+,24?,25?/m0/s1
INCHIAUX=XTWWITLYEHFJBO-LSGBTAIHSA-N
PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577713
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577713
SCANS=223
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662.350037	312.0
664.247009	448.0
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676.268433	268.0
676.345032	472.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577714
PEPMASS=403.177
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=dibenarthin_22697_dereplictor_pv_2.01762e-15 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1=C(O[H])C(O[H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1=C(O[H])C(O[H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C34H48N10O13/c1-15(45)23(43-29(52)19(9-5-13-39-33(35)36)41-27(50)17-7-3-11-21(46)25(17)48)32(56)57-16(2)24(31(54)55)44-30(53)20(10-6-14-40-34(37)38)42-28(51)18-8-4-12-22(47)26(18)49/h3-4,7-8,11-12,15-16,19-20,23-24,45-49H,5-6,9-10,13-14H2,1-2H3,(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,54,55)(H4,35,36,39)(H4,37,38,40)/t15-,16-,19+,20+,23+,24+/m1/s1
INCHIAUX=WUGMTNYESVFCDC-MEVGPWJASA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577714
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577714
SCANS=224
137.030045	940.0
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412.17807	1728.0
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514.232056	324.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577715
PEPMASS=1106.29
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Radamicin;_Radamycin_49657_dereplictor_pv_2.25509e-15 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N([H])C(=O)C(=C([H])[H])N([H])C(=O)C(=C([H])[H])N([H])C(=O)C1=NC2=C(C([H])=C1[H])C1=NC(=C([H])S1)C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C1=NC(=C(O1)C([H])([H])[H])C(=O)N([H])C([H])(C1=NC(=C([H])S1)C(=O)N([H])C([H])(C1=NC(=C([H])S1)C(=O)N([H])C(=C([H])[H])C(=O)N([H])C(=C([H])[H])C1=NC2=C(O1)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C48H47N15O11S3/c1-17(2)32-43(71)50-13-31-61-34(25(10)73-31)44(72)56-23(8)47-59-29(15-76-47)41(69)55-22(7)46-58-28(14-75-46)40(68)53-20(5)38(66)54-21(6)45-63-33(24(9)74-45)35-26(48-60-30(16-77-48)42(70)62-32)11-12-27(57-35)39(67)52-19(4)37(65)51-18(3)36(49)64/h11-12,14-17,22-23,32H,3-6,13H2,1-2,7-10H3,(H2,49,64)(H,50,71)(H,51,65)(H,52,67)(H,53,68)(H,54,66)(H,55,69)(H,56,72)(H,62,70)
INCHIAUX=NDNYFEHDYFDAPS-UHFFFAOYSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00000577715
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577715
SCANS=225
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577716
PEPMASS=602.935
CHARGE=2
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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SEQ=*..*
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577716
SCANS=226
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577717
PEPMASS=743.51
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COLLISION_ENERGY=N/A
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FILENAME=spectra_from_json.mgf
SEQ=*..*
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SMILES=[H]N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
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SPECTRUMID=CCMSLIB00000577717
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577717
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577718
PEPMASS=1161.76
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichorovin-IIIb_40290_dereplictor_pv_2.61892e-15 [M+H]+
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577719
PEPMASS=1029.54
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577720
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577721
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FILENAME=spectra_from_json.mgf
SEQ=*..*
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SPECTRUMID=CCMSLIB00000577721
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577723
PEPMASS=650.359
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=cotteslosin_B_20333_dereplictor_pv_4.96647e-15 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C1=O)C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
INCHI=InChI=1S/C35H47N5O7/c1-6-21(4)30-35(47)39(5)28(19-23-11-15-25(42)16-12-23)32(44)36-26(18-22-9-13-24(41)14-10-22)34(46)40-17-7-8-27(40)31(43)37-29(20(2)3)33(45)38-30/h9-16,20-21,26-30,41-42H,6-8,17-19H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)/t21-,26-,27-,28-,29-,30-/m0/s1
INCHIAUX=BACHLISBEFYBLZ-RSGBUPOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577723
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577723
SCANS=233
150.084137	1116.0
183.144623	604.0
197.12793	672.0
211.140411	1288.0
233.127441	568.0
261.122345	708.0
277.152008	424.0
282.21991	496.0
310.212311	2172.0
311.211731	536.0
313.156494	3004.0
341.151367	3008.0
342.150635	600.0
373.217041	412.0
374.204651	776.0
438.197937	824.0
439.207245	352.0
445.283997	484.0
464.162262	564.0
464.65921	580.0
467.167419	14700.0
468.170471	5432.0
469.178223	708.0
473.272278	340.0
487.289673	1948.0
488.291687	968.0
523.294678	332.0
551.286621	1292.0
552.289612	492.0
622.358093	452.0
650.351196	340.0
653.392639	332.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577724
PEPMASS=655.338
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Tyrocidine-B_28458_dereplictor_pv_5.7935e-15 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C2([H])N(C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
INCHI=InChI=1S/C68H88N14O13/c1-38(2)31-49-61(88)80-54(34-41-17-9-6-10-18-41)68(95)82-30-14-22-55(82)66(93)79-52(35-43-37-72-46-20-12-11-19-45(43)46)63(90)77-50(32-40-15-7-5-8-16-40)62(89)78-53(36-57(71)85)64(91)73-48(27-28-56(70)84)60(87)76-51(33-42-23-25-44(83)26-24-42)65(92)81-58(39(3)4)67(94)74-47(21-13-29-69)59(86)75-49/h5-12,15-20,23-26,37-39,47-55,58,72,83H,13-14,21-22,27-36,69H2,1-4H3,(H2,70,84)(H2,71,85)(H,73,91)(H,74,94)(H,75,86)(H,76,87)(H,77,90)(H,78,89)(H,79,93)(H,80,88)(H,81,92)
INCHIAUX=PUVWPDQSNYAMEH-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577724
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577724
SCANS=234
68.866631	200.0
115.086731	156.0
136.072937	316.0
167.043655	184.0
200.128479	188.0
233.136398	164.0
265.167145	180.0
279.143463	212.0
284.15036	148.0
290.184113	148.0
326.220795	168.0
362.389374	144.0
363.640747	216.0
364.157104	240.0
379.228668	228.0
388.16806	168.0
392.209564	156.0
407.174133	176.0
426.280975	140.0
448.207611	180.0
469.73468	156.0
472.274506	152.0
483.83667	160.0
488.14093	160.0
512.972839	144.0
520.156189	160.0
544.311218	140.0
548.759399	216.0
559.229248	164.0
562.280151	136.0
575.284241	140.0
576.263245	148.0
579.698792	140.0
591.832703	160.0
605.800171	176.0
606.313782	156.0
632.001953	160.0
641.35791	172.0
641.841858	140.0
642.352722	136.0
646.834412	112.0
647.324402	192.0
647.839111	200.0
651.192932	132.0
652.163391	136.0
652.410522	132.0
653.165039	568.0
654.172913	244.0
654.300781	256.0
655.168579	164.0
655.229492	148.0
655.340332	540.0
655.848145	428.0
656.157288	100.0
656.332153	252.0
656.369141	264.0
673.324768	176.0
791.350403	164.0
917.412476	148.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577725
PEPMASS=493.276
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Fungisporin_25256_dereplictor_pv_5.96919e-15 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C1([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
INCHI=InChI=1S/C56H72N8O8/c1-33(2)45-53(69)59-41(29-37-21-13-9-14-22-37)49(65)57-44(32-40-27-19-12-20-28-40)52(68)62-48(36(7)8)56(72)64-46(34(3)4)54(70)60-42(30-38-23-15-10-16-24-38)50(66)58-43(31-39-25-17-11-18-26-39)51(67)61-47(35(5)6)55(71)63-45/h9-28,33-36,41-48H,29-32H2,1-8H3,(H,57,65)(H,58,66)(H,59,69)(H,60,70)(H,61,67)(H,62,68)(H,63,71)(H,64,72)
INCHIAUX=WXOUACDWNFQNSC-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577725
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577725
SCANS=235
120.080963	532.0
165.107697	256.0
171.137024	264.0
199.145584	728.0
200.146118	748.0
219.135559	420.0
247.130295	464.0
247.139694	268.0
295.155243	876.0
334.921844	284.0
346.195892	296.0
394.208954	360.0
395.212219	556.0
412.131134	252.0
465.303802	292.0
493.269592	272.0
494.273468	424.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577726
PEPMASS=811.033
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=efrapeptin_J_19780_dereplictor_pv_6.52728e-15 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N(C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C1([H])N(C(=O)C(N([H])C(=O)C2([H])N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])C(C(=O)N([H])C(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])C(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C(C(=O)N([H])C([H])(C([H])([H])N1C2=[N+](C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C81H138N18O16/c1-48(2)43-53(47-96-39-30-38-95-37-29-34-61(95)96)85-69(110)76(11,12)89-64(105)55(45-50(5)6)86-62(103)51(7)84-68(109)75(9,10)90-66(107)57-32-25-28-42-99(57)74(115)81(21,22)94-71(112)78(15,16)88-60(102)46-83-59(101)35-36-82-63(104)54(44-49(3)4)87-70(111)77(13,14)93-72(113)79(17,18)91-67(108)58-33-24-27-41-98(58)73(114)80(19,20)92-65(106)56-31-23-26-40-97(56)52(8)100/h48-51,53-58H,23-47H2,1-22H3,(H12-,82,83,84,85,86,87,88,89,90,91,92,93,94,101,102,103,104,105,106,107,108,109,110,111,112,113)/p+1
INCHIAUX=FPZWWNKQAQRXAV-UHFFFAOYSA-O
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577726
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577726
SCANS=236
154.072693	460.0
154.090149	504.0
183.11644	512.0
239.125168	260.0
350.212189	620.0
521.261658	264.0
563.049988	384.0
608.361023	292.0
633.395752	396.0
689.470947	384.0
689.515564	392.0
690.458984	456.0
690.515686	556.0
703.458374	492.0
703.524109	716.0
704.537598	484.0
705.47168	392.0
846.474243	496.0
917.526367	444.0
917.573364	416.0
931.552246	560.0
932.543152	448.0
933.571106	392.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577727
PEPMASS=1134.78
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Leucinostatin_H;_Paecilotoxin_H_29050_dereplictor_pv_6.62322e-15 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]O[C@@]([H])([C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C(\[H])=C(/[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])C(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[N+]([O-])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C57H103N11O12/c1-21-36(10)22-23-44(70)67-30-37(11)29-42(67)50(75)61-39(26-32(2)3)48(73)63-45(46(71)35(8)9)51(76)65-56(15,16)53(78)62-40(27-33(4)5)47(72)60-41(28-34(6)7)49(74)64-57(17,18)54(79)66-55(13,14)52(77)58-25-24-43(69)59-38(12)31-68(19,20)80/h22-23,32-42,45-46,71H,21,24-31H2,1-20H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b23-22+/t36-,37+,38+,39-,40+,41-,42+,45+,46-/m1/s1
INCHIAUX=YSPNHJIQHQTTOK-KTLHBIGUSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577727
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577727
SCANS=237
190.162659	304.0
222.135468	272.0
446.25769	268.0
531.343506	1020.0
532.358459	348.0
549.33551	740.0
549.367554	1192.0
550.375488	388.0
662.449402	1460.0
663.408264	256.0
775.484131	780.0
775.532654	372.0
776.544739	356.0
777.540833	284.0
860.570679	828.0
945.617249	264.0
1134.782227	2724.0
1135.721069	1344.0
1135.794067	2032.0
1136.721313	544.0
1136.790283	680.0
1137.782227	312.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577728
PEPMASS=1269.65
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Actinomycin_K1c_28235_dereplictor_pv_7.9031e-15 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N([H])C1=C(C(=O)N([H])C2([H])C(=O)N([H])C([H])(C(=O)N3C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C3([H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])(C(=O)OC2([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C2=NC3=C(OC2=C(C1=O)C([H])([H])[H])C(=C([H])C([H])=C3C(=O)N([H])C1([H])C(=O)N([H])C([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])C2([H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])(C(=O)OC1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C63H88N12O16/c1-27(2)43-60(85)74-22-18-19-37(74)58(83)70(14)25-39(76)72(16)49(29(5)6)62(87)89-34(12)45(56(81)66-43)68-54(79)36-21-20-32(10)52-47(36)65-48-41(42(64)51(78)33(11)53(48)91-52)55(80)69-46-35(13)90-63(88)50(30(7)8)73(17)40(77)26-71(15)59(84)38-23-31(9)24-75(38)61(86)44(28(3)4)67-57(46)82/h20-21,27-31,34-35,37-38,43-46,49-50H,18-19,22-26,64H2,1-17H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)
INCHIAUX=XPFZNINFJMWMEG-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577728
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577728
SCANS=238
169.091675	964.0
183.139679	400.0
185.116287	516.0
203.133057	4768.0
204.136841	432.0
213.119446	736.0
249.157211	428.0
268.165314	2500.0
269.16803	532.0
282.180481	16416.0
283.182648	2768.0
284.18634	536.0
286.175476	388.0
300.191437	39412.0
301.193207	6188.0
302.19516	780.0
338.208923	588.0
354.236053	992.0
355.243347	540.0
368.25531	680.0
376.095978	544.0
377.100037	340.0
381.255737	1144.0
382.251587	352.0
393.119995	332.0
394.104767	880.0
395.261566	772.0
397.248291	352.0
399.26059	7980.0
400.261658	2444.0
405.119202	716.0
413.276306	3960.0
414.275635	1156.0
431.136353	3100.0
432.145538	800.0
433.141235	1300.0
434.145599	436.0
449.141479	1380.0
450.144348	488.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577729
PEPMASS=780.452
CHARGE=2
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SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577729
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152.105301	312.0
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884.497131	1164.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577730
PEPMASS=1022.72
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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PI=Pevzner
DATACOLLECTOR=N/A
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SPECTRUMID=CCMSLIB00000577730
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577730
SCANS=240
100.110954	420.0
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878.621521	648.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577731
PEPMASS=813.407
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=veraguamide_K_22288_dereplictor_pv_1.06447e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])(C([H])([H])C([H])([H])C([H])([H])C#CBr)C([H])(C(=O)N([H])C([H])(C(=O)N(C([H])([H])[H])C([H])(C(=O)OC([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N(C([H])([H])[H])C([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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SPECTRUMID=CCMSLIB00000577731
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577731
SCANS=241
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1719.370117	180.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577732
PEPMASS=574.305
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Antamanide_23947_dereplictor_pv_1.19028e-14 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577733
PEPMASS=748.481
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=kahalalide_G_09920_dereplictor_pv_1.50644e-14 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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INCHI=InChI=1S/C75H126N14O17/c1-20-44(16)59(71(101)88-62(47(19)91)73(103)86-60(45(17)21-2)70(100)81-55(40(8)9)67(97)79-51(37-48-30-24-23-25-31-48)65(95)77-49(22-3)63(93)84-58(43(14)15)75(105)106)85-64(94)50(32-27-35-76)78-66(96)52-33-28-36-89(52)74(104)57(42(12)13)83-69(99)56(41(10)11)82-72(102)61(46(18)90)87-68(98)54(39(6)7)80-53(92)34-26-29-38(4)5/h22-25,30-31,38-47,50-52,54-62,90-91H,20-21,26-29,32-37,76H2,1-19H3,(H,77,95)(H,78,96)(H,79,97)(H,80,92)(H,81,100)(H,82,102)(H,83,99)(H,84,93)(H,85,94)(H,86,103)(H,87,98)(H,88,101)(H,105,106)/b49-22-/t44?,45?,46?,47?,50-,51-,52?,54?,55?,56?,57?,58?,59?,60?,61?,62?/m0/s1
INCHIAUX=SBYGJMHJIUKOGW-DCYQJZJQSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577733
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577733
SCANS=243
201.123184	284.0
230.001434	228.0
250.178909	292.0
300.19519	176.0
305.650146	248.0
363.263	428.0
394.267639	200.0
437.194275	400.0
450.802979	188.0
511.348724	320.0
512.338806	172.0
521.346558	196.0
574.884216	176.0
610.402771	168.0
638.42157	240.0
648.41333	308.0
648.91449	328.0
649.429688	168.0
689.935425	160.0
747.39978	200.0
749.315125	188.0
749.409485	176.0
985.602478	280.0
987.589294	252.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577734
PEPMASS=756.382
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N(C(=O)[C@]([H])(OC(=O)[C@@]([H])(N(C(=O)[C@]([H])(OC(=O)[C@@]([H])(N(C(=O)[C@]([H])(OC1=O)C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]
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SPECTRUMID=CCMSLIB00000577734
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577734
SCANS=244
117.067085	352.0
120.07827	1304.0
121.079437	272.0
131.055252	340.0
134.096497	5060.0
135.099075	1180.0
136.101974	320.0
143.077698	660.0
146.063354	360.0
160.122437	284.0
166.089203	692.0
178.086731	264.0
180.09993	468.0
181.106735	328.0
202.123688	988.0
216.136688	752.0
217.138443	320.0
220.123108	2180.0
220.132553	2460.0
221.137756	680.0
222.112198	392.0
222.132965	436.0
227.096268	432.0
230.11322	372.0
231.12207	272.0
232.123413	308.0
234.149323	1476.0
244.130493	4472.0
245.137863	948.0
246.122375	412.0
248.127884	1972.0
249.126038	992.0
262.145935	5032.0
263.133636	692.0
282.161163	648.0
344.175812	296.0
346.207916	272.0
348.172455	1324.0
349.178192	364.0
362.197784	556.0
363.200806	348.0
367.202362	332.0
381.214172	640.0
382.22348	512.0
383.199921	444.0
409.174255	492.0
409.227722	296.0
468.27002	376.0
481.270508	688.0
482.241425	396.0
483.245087	304.0
491.260895	316.0
495.233856	612.0
509.252106	1056.0
510.249542	380.0
527.243774	624.0
527.282349	376.0
595.286072	448.0
596.308899	300.0
609.242676	300.0
609.315613	604.0
610.304504	396.0
610.356262	400.0
628.314819	568.0
628.343262	804.0
656.324707	392.0
659.125122	380.0
710.388184	604.0
728.393799	4168.0
729.399963	1940.0
730.389465	820.0
738.353821	456.0
753.548889	272.0
755.390259	352.0
755.45697	576.0
756.378052	7168.0
757.384399	4292.0
758.394836	1848.0
774.403198	300.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577735
PEPMASS=646.38
CHARGE=3
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichosporin-Bs-e_33295_dereplictor_pv_1.87618e-14 [M+3H]3+
PI=Pevzner
DATACOLLECTOR=N/A
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INCHI=InChI=1S/C90H149N23O24/c1-26-47(5)64(73(128)110-90(24,25)82(137)113-41-31-34-57(113)71(126)103-63(46(3)4)72(127)108-89(22,23)81(136)112-86(16,17)77(132)100-55(36-39-59(92)117)69(124)99-54(35-38-58(91)116)68(123)98-53(45-114)42-52-32-29-28-30-33-52)102-62(120)44-95-75(130)83(10,11)109-74(129)65(48(6)27-2)104-79(134)85(14,15)107-70(125)56(37-40-60(93)118)101-78(133)87(18,19)111-80(135)88(20,21)106-67(122)50(8)96-61(119)43-94-66(121)49(7)97-76(131)84(12,13)105-51(9)115/h28-30,32-33,46-50,53-57,63-65,114H,26-27,31,34-45H2,1-25H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,121)(H,95,130)(H,96,119)(H,97,131)(H,98,123)(H,99,124)(H,100,132)(H,101,133)(H,102,120)(H,103,126)(H,104,134)(H,105,115)(H,106,122)(H,107,125)(H,108,127)(H,109,129)(H,110,128)(H,111,135)(H,112,136)
INCHIAUX=AIMAWXKCANIAFO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577735
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577735
SCANS=245
171.128494	332.0
185.092896	280.0
197.124619	384.0
199.102951	776.0
214.123901	632.0
228.140945	568.0
256.119659	340.0
256.143372	280.0
270.148376	456.0
272.157379	316.0
282.173035	844.0
299.161072	488.0
300.173859	380.0
327.164612	704.0
341.159393	444.0
367.227936	784.0
387.725403	500.0
412.218567	944.0
426.212463	560.0
426.242157	856.0
427.251068	436.0
467.283112	252.0
497.304474	576.0
498.242035	256.0
499.265442	388.0
511.281006	464.0
512.282959	340.0
513.311646	284.0
540.305359	256.0
553.336975	328.0
568.38385	292.0
570.750977	432.0
573.817871	304.0
575.327515	312.0
582.303955	416.0
582.350464	796.0
582.832886	860.0
583.310303	468.0
640.370789	252.0
644.355469	376.0
644.417542	692.0
645.377625	480.0
653.400574	352.0
654.413147	252.0
667.403198	580.0
710.353333	256.0
738.448303	292.0
752.395874	260.0
774.443054	1396.0
775.414673	668.0
775.45459	840.0
776.479553	308.0
777.425049	364.0
880.493896	252.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577736
PEPMASS=955.544
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Peptaivirin_A_46571_dereplictor_pv_2.3772e-14 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C1([H])N(C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
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INCHIAUX=VJEDKKKFLQWBIB-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577736
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577736
SCANS=246
120.076126	1024.0
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155.102707	292.0
183.118073	432.0
183.143433	736.0
189.116882	812.0
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312.192719	280.0
313.193909	436.0
318.183624	1152.0
320.160767	948.0
327.1716	312.0
327.204926	488.0
328.175659	320.0
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577738
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COLLISION_ENERGY=N/A
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END IONS

BEGIN IONS
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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SEQ=*..*
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1122.471558	368.0
1122.613037	1476.0
1122.682739	2352.0
1123.536987	276.0
1123.681885	1120.0
1128.651001	400.0
1129.59729	328.0
1129.64856	356.0
1130.609497	484.0
1134.612305	868.0
1134.67041	1508.0
1135.583496	964.0
1135.663574	1216.0
1136.592529	424.0
1136.698242	672.0
1137.61084	268.0
1142.646729	428.0
1143.642212	296.0
1148.64502	580.0
1151.772217	376.0
1158.73584	432.0
1159.789307	364.0
1161.731812	400.0
1264.653076	396.0
1264.835449	352.0
1278.842041	312.0
1286.737427	368.0
1287.786743	632.0
1288.7677	564.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577740
PEPMASS=810.5
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=pitipeptolide_B_01128_dereplictor_pv_3.58618e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(OC(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)C1(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
INCHI=InChI=1S/C44H67N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h11,15,17-18,20-21,27-29,31-33,35-37H,1,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33-,35-,36-,37-/m0/s1
INCHIAUX=WXTNWSNJAHRKRT-XXMTWPQQSA-N
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577740
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577740
SCANS=250
85.943291	196.0
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158.96167	168.0
159.092178	196.0
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164.111633	180.0
166.121277	192.0
171.125061	196.0
177.08609	152.0
184.133606	364.0
184.163315	232.0
192.170212	168.0
194.119141	560.0
195.119751	140.0
196.20549	200.0
204.214066	148.0
212.125061	204.0
221.58194	184.0
222.188873	304.0
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224.19371	180.0
235.132446	152.0
240.102402	172.0
242.960403	156.0
250.166779	176.0
256.138916	180.0
257.053894	216.0
263.145935	176.0
269.146057	140.0
275.13382	172.0
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333.186859	168.0
342.224121	164.0
345.222046	328.0
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542.359009	148.0
543.346741	192.0
547.322693	152.0
551.310608	216.0
555.331421	136.0
556.364746	332.0
561.328674	124.0
562.34314	136.0
569.332825	144.0
602.532227	168.0
607.265625	144.0
615.360291	208.0
616.389343	152.0
621.869629	156.0
637.460999	140.0
649.394226	112.0
669.426514	112.0
707.31427	144.0
782.495544	236.0
782.874207	168.0
783.509521	104.0
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792.465881	100.0
794.651306	160.0
798.498901	640.0
798.57782	152.0
799.521729	228.0
799.573608	184.0
808.320435	148.0
808.508545	160.0
809.209045	144.0
809.299622	168.0
809.533813	112.0
810.405396	156.0
810.498413	1688.0
811.43103	156.0
811.501892	1308.0
812.503418	596.0
812.637878	180.0
813.256409	140.0
813.523621	364.0
814.44873	148.0
814.518921	292.0
815.505249	260.0
816.484863	144.0
1381.595459	200.0
1921.877319	152.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577741
PEPMASS=742.476
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=tumescenamide_B_21851_dereplictor_pv_4.03741e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(OC(=O)\C(N([H])C1=O)=C(/[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C40H63N5O8/c1-11-13-24(7)19-25(8)20-26(9)35(47)45-34-27(10)53-40(52)30(12-2)41-36(48)32(21-28-14-16-29(46)17-15-28)43-38(50)33(23(5)6)44-37(49)31(18-22(3)4)42-39(34)51/h12,14-17,22-27,31-34,46H,11,13,18-21H2,1-10H3,(H,41,48)(H,42,51)(H,43,50)(H,44,49)(H,45,47)/b30-12-/t24?,25?,26?,27-,31-,32+,33-,34-/m1/s1
INCHIAUX=JDEKCDUJAJBUDG-QRMTXBRUSA-N
PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577741
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577741
SCANS=251
136.07135	1624.0
185.161774	2512.0
213.158203	5816.0
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230.082428	400.0
235.143036	712.0
238.216919	1684.0
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266.121124	1268.0
266.210632	11516.0
267.215485	2204.0
284.222412	1524.0
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319.167664	372.0
331.200226	528.0
333.292297	572.0
346.174561	1412.0
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351.301392	15296.0
352.305725	4108.0
353.301392	416.0
367.260986	920.0
376.221985	3684.0
377.224762	1020.0
378.222412	344.0
379.296021	30328.0
380.299622	7756.0
381.298035	840.0
397.305847	1148.0
398.310944	424.0
450.368042	2804.0
451.372131	632.0
459.261871	1948.0
460.261719	820.0
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477.272766	744.0
478.363953	6256.0
479.364746	2696.0
480.347382	820.0
495.385773	632.0
496.374481	1512.0
551.420654	532.0
552.412598	580.0
579.408325	1684.0
580.414307	572.0
613.430847	996.0
641.42511	788.0
642.43219	452.0
724.461426	484.0
742.469238	488.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577742
PEPMASS=654.452
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=dragonamide_13330_dereplictor_pv_4.43214e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]C#CC([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C37H59N5O5/c1-13-14-15-17-20-27(8)34(44)40(10)31(25(4)5)36(46)42(12)32(26(6)7)37(47)41(11)30(24(2)3)35(45)39(9)29(33(38)43)23-28-21-18-16-19-22-28/h1,16,18-19,21-22,24-27,29-32H,14-15,17,20,23H2,2-12H3,(H2,38,43)/t27-,29+,30+,31+,32+/m1/s1
INCHIAUX=LFBMRFDBJDFLTN-UGMRNKNYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577742
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577742
SCANS=252
105.148781	248.0
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137.09407	164.0
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509.151215	236.0
554.215027	120.0
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589.833191	152.0
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612.223694	152.0
637.436401	148.0
638.446411	168.0
654.431824	196.0
657.342285	240.0
657.377991	188.0
658.194763	156.0
658.383667	140.0
980.966553	144.0
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1149.791016	192.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577743
PEPMASS=596.402
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Isariin-II;_Factor-II;_Isariin_B_25460_dereplictor_pv_4.48926e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)C([H])([H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
INCHI=InChI=1S/C30H53N5O7/c1-9-10-11-12-13-21-15-23(36)31-16-24(37)34-25(18(4)5)29(40)33-22(14-17(2)3)28(39)32-20(8)27(38)35-26(19(6)7)30(41)42-21/h17-22,25-26H,9-16H2,1-8H3,(H,31,36)(H,32,39)(H,33,40)(H,34,37)(H,35,38)/t20-,21+,22-,25?,26-/m0/s1
INCHIAUX=QWBKHPNGPXORRV-BAYXGLGHSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577743
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577743
SCANS=253
129.100372	832.0
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568.399353	964.0
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578.414185	284.0
596.402161	7660.0
597.398376	3280.0
598.411682	1068.0
599.435974	388.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577744
PEPMASS=837.521
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=dolastatin_15_03810_dereplictor_pv_4.72784e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
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INCHIAUX=LQKSHSFQQRCAFW-CCVNJFHASA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577744
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577744
SCANS=254
84.762436	244.0
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841.46698	228.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577745
PEPMASS=610.42
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=emericellamide_A_18085_dereplictor_pv_5.31395e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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SPECTRUMID=CCMSLIB00000577745
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577745
SCANS=255
126.087692	252.0
185.127625	308.0
198.169556	264.0
210.183685	428.0
211.178864	408.0
213.163452	268.0
225.147537	252.0
238.180496	624.0
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309.244476	524.0
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337.24588	688.0
355.265259	260.0
450.310272	692.0
468.305237	956.0
505.172699	392.0
511.32077	464.0
521.333313	296.0
521.376038	628.0
539.379395	992.0
582.372925	404.0
583.423279	296.0
591.281067	340.0
609.321655	288.0
610.404602	3852.0
611.398438	1268.0
612.391113	344.0
612.424866	584.0
613.319336	268.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577746
PEPMASS=1111.64
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MSLEVEL=2
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COLLISION_ENERGY=N/A
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SEQ=*..*
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PI=Pevzner
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INCHI=InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33?,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1
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SPECTRUMID=CCMSLIB00000577746
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577746
SCANS=256
144.094986	572.0
154.116074	604.0
172.121201	876.0
182.114563	436.0
200.127304	2556.0
254.140594	1160.0
272.151703	6792.0
273.149384	728.0
325.2146	5340.0
326.219788	1212.0
343.224426	44028.0
344.227295	7800.0
345.23233	1196.0
353.21051	1980.0
354.207001	364.0
371.219147	23108.0
372.221069	3480.0
373.229736	644.0
389.232483	396.0
397.258209	436.0
415.244019	1332.0
442.290924	984.0
443.240784	4684.0
444.253571	884.0
453.256622	952.0
468.2836	340.0
471.27124	3184.0
472.274841	508.0
496.299561	1000.0
514.314514	15088.0
515.316895	3492.0
516.316528	888.0
524.329285	2044.0
525.336365	640.0
542.33551	7484.0
543.33429	2284.0
544.340942	404.0
552.330933	440.0
553.33374	440.0
570.342957	3752.0
571.343201	976.0
586.330688	836.0
613.388916	708.0
614.365112	856.0
615.36731	416.0
624.34729	484.0
642.365112	1956.0
643.359009	552.0
644.375305	408.0
695.427307	1972.0
696.421448	812.0
713.436157	12252.0
714.435791	4264.0
715.436707	756.0
723.418884	340.0
741.428101	4476.0
742.431152	1332.0
743.431152	484.0
785.458496	544.0
812.502747	552.0
813.484009	624.0
841.478821	596.0
884.525757	5828.0
885.531006	3000.0
886.531189	1032.0
894.547302	668.0
912.542419	4600.0
913.546814	2156.0
914.556641	892.0
940.547607	1020.0
941.56012	392.0
984.567566	976.0
1012.565796	1384.0
1013.581299	776.0
1014.573303	396.0
1065.631348	1700.0
1066.634399	936.0
1083.646484	26008.0
1084.647095	13744.0
1085.650635	4996.0
1086.651367	868.0
1111.641357	4264.0
1112.643677	2276.0
1113.649658	616.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577747
PEPMASS=328.704
CHARGE=2
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=arenamide_C_20147_dereplictor_pv_5.89604e-14 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)C([H])([H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
INCHI=InChI=1S/C32H57N5O7S/c1-9-10-11-12-13-21(6)25-17-26(38)33-18-27(39)37-28(20(4)5)31(42)36-24(16-19(2)3)30(41)34-22(7)29(40)35-23(14-15-45-8)32(43)44-25/h19-25,28H,9-18H2,1-8H3,(H,33,38)(H,34,41)(H,35,40)(H,36,42)(H,37,39)/t21-,22-,23-,24-,25-,28-/m0/s1
INCHIAUX=LRQDGGBYOKMXOJ-ORUZXOCWSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577747
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577747
SCANS=257
120.081764	480.0
128.09166	340.0
129.089859	268.0
132.078918	260.0
141.094162	468.0
157.086792	388.0
166.106781	256.0
184.629608	260.0
185.123474	524.0
186.102463	276.0
194.113235	1512.0
195.119843	376.0
201.62439	672.0
203.132614	300.0
212.108658	256.0
213.626373	312.0
222.638367	600.0
223.14975	500.0
233.166229	384.0
237.134964	296.0
257.176697	284.0
272.166779	548.0
272.665619	580.0
273.16864	544.0
293.190094	320.0
328.703918	904.0
329.198456	312.0
331.217712	288.0
396.227448	892.0
430.236328	372.0
431.236755	308.0
515.316711	592.0
516.281555	396.0
516.346741	504.0
543.324097	1620.0
544.331726	704.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577748
PEPMASS=780.449
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Heptaibin_47182_dereplictor_pv_5.95358e-14 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC([H])([H])[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]1([H])N(C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C2([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
INCHI=InChI=1S/C76H118N16O19/c1-41(2)32-50(81-55(98)37-78-62(104)56(42(3)4)83-64(106)71(8,9)88-67(109)74(14,15)89-65(107)72(10,11)85-59(101)51(79-43(5)94)34-45-28-24-21-25-29-45)58(100)84-73(12,13)66(108)90-76(18,19)69(111)91-38-47(95)35-52(91)60(102)82-49(30-31-54(77)97)57(99)86-75(16,17)68(110)92-39-48(96)36-53(92)61(103)87-70(6,7)63(105)80-46(40-93)33-44-26-22-20-23-27-44/h20-29,41-42,46-53,56,93,95-96H,30-40H2,1-19H3,(H2,77,97)(H,78,104)(H,79,94)(H,80,105)(H,81,98)(H,82,102)(H,83,106)(H,84,100)(H,85,101)(H,86,99)(H,87,103)(H,88,109)(H,89,107)(H,90,108)/t46-,47+,48+,49-,50?,51-,52-,53-,56?/m0/s1
INCHIAUX=OESVNVWXOTVKHT-ILZKSTJLSA-N
PUBMED=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577748
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577748
SCANS=258
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577749
PEPMASS=654.428
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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NAME=Pimaydolide_26216_dereplictor_pv_6.02108e-14 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
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INCHIAUX=WDNGHMADKZYJCM-FRZROCRGSA-N
PUBMED=N/A
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SPECTRUMID=CCMSLIB00000577749
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SCANS=259
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672.380493	584.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577750
PEPMASS=741.477
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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INCHIAUX=CQEZMRWKVFFGKE-MJZFXANDSA-N
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SPECTRUMID=CCMSLIB00000577750
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577750
SCANS=260
74.540436	212.0
89.755997	152.0
105.564148	172.0
114.091171	148.0
139.112335	372.0
161.038589	212.0
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577753
PEPMASS=948.541
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Boletusin_45755_dereplictor_pv_8.71408e-14 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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INCHIAUX=OKNZSAAIRGTZJW-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577753
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577753
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577754
PEPMASS=580.82
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Stenothricin_component_III_27140_dereplictor_pv_8.7342e-14 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577754
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577754
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END IONS

BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577757
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MSLEVEL=2
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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BEGIN IONS
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END IONS

BEGIN IONS
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670.410156	4948.0
671.415466	3892.0
672.414307	964.0
673.375671	324.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577760
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577761
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577762
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577763
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END IONS

BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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CHARGE=2
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COLLISION_ENERGY=N/A
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END IONS

BEGIN IONS
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BEGIN IONS
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577774
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577775
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COLLISION_ENERGY=N/A
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SEQ=*..*
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577776
PEPMASS=1043.62
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MSLEVEL=2
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COLLISION_ENERGY=N/A
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BEGIN IONS
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BEGIN IONS
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950.091248	96.0
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END IONS

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END IONS

BEGIN IONS
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END IONS

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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577784
PEPMASS=562.819
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=SCH-378199_47738_dereplictor_pv_6.19652e-13 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)C([H])([H])C([H])([H])C1([H])N(C(=O)C([H])(N([H])C(=O)C2([H])N(C(=O)C([H])(N([H])C(=O)C([H])(N(C(=O)C([H])(N(C(=O)C([H])([H])N([H])C(=O)C3([H])N(C(=O)C([H])(N([H])C(=O)C([H])(OC1=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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INCHIAUX=VKZXVDMHCBCMCO-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577784
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577784
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BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577786
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CHARGE=2
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Puwainaphycin_D_30335_dereplictor_pv_6.46293e-13 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
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INCHI=InChI=1S/C57H97ClN12O15/c1-12-35(58)23-20-18-16-14-15-17-19-22-32(7)45-48(75)55(82)66-44(31(5)6)52(79)62-36(13-2)50(77)68-46(33(8)71)54(81)65-43(30(3)4)53(80)63-37(25-26-40(59)72)49(76)61-29-42(74)64-47(34(9)85-11)57(84)69(10)39(28-41(60)73)56(83)70-27-21-24-38(70)51(78)67-45/h13,30-35,37-39,43-48,71,75H,12,14-29H2,1-11H3,(H2,59,72)(H2,60,73)(H,61,76)(H,62,79)(H,63,80)(H,64,74)(H,65,81)(H,66,82)(H,67,78)(H,68,77)/b36-13+
INCHIAUX=QEQPUTKQRURHAG-FIFHTESVSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577786
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577788
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577788
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745.927124	404.0
END IONS

BEGIN IONS
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SEQ=*..*
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END IONS

BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577800
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577801
PEPMASS=1175.78
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577802
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385.18045	384.0
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611.247009	280.0
612.358887	5152.0
612.448425	344.0
613.355713	2060.0
614.36554	560.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577803
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1207.673218	56.0
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577805
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COLLISION_ENERGY=N/A
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SPECTRUMID=CCMSLIB00000577805
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577805
SCANS=315
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577806
PEPMASS=994.113
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226.138168	428.0
280.163147	824.0
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324.197723	428.0
397.238037	436.0
505.294952	336.0
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994.118042	2896.0
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BEGIN IONS
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243.121078	96.0
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442.320648	92.0
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450.249329	72.0
450.284027	76.0
451.17041	96.0
451.266663	184.0
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453.206635	484.0
453.269897	104.0
1049.063599	80.0
END IONS

BEGIN IONS
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113.05835	100.0
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568.348083	148.0
568.684143	88.0
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570.331421	588.0
571.315308	244.0
572.214478	60.0
572.320862	100.0
573.341797	80.0
573.394226	76.0
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577810
PEPMASS=551.35
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SMILES=[H]OC([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])N(C(=O)C([H])(N([H])C(=O)C([H])(N(C(=O)C([H])(OC(=O)C([H])(N(C(=O)C([H])(N([H])C(=O)C([H])(N(C(=O)C([H])(N([H])C(=O)C2([H])N(C1=O)C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]
INCHI=InChI=1S/C60H92N8O11/c1-17-39(12)46-57(75)64(13)45(32-35(4)5)53(71)61-42(31-34(2)3)55(73)66(15)48(37(8)9)60(78)79-51(38(10)11)59(77)65(14)47(36(6)7)54(72)62-43(33-40-25-20-18-21-26-40)56(74)67(16)49(50(69)41-27-22-19-23-28-41)58(76)68-30-24-29-44(68)52(70)63-46/h18-23,25-28,34-39,42-51,69H,17,24,29-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577811
PEPMASS=463.277
CHARGE=3
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FRAGMENTATION_METHOD=N/A
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FILENAME=spectra_from_json.mgf
SEQ=*..*
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577812
PEPMASS=598.34
CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Mer-N5075-A_35716_dereplictor_pv_5.17819e-12 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
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600.341797	520.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577813
PEPMASS=758.388
CHARGE=2
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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NAME=Maltacine_B2b_53515_dereplictor_pv_5.21654e-12 [M+2H]2+
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1303.682739	92.0
1360.545776	132.0
1363.826172	132.0
1398.75769	168.0
1414.642456	116.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577814
PEPMASS=800.413
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COLLISION_ENERGY=N/A
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818.378906	684.0
818.428345	1104.0
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820.464905	272.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577815
PEPMASS=401.218
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Planktocyclin;_cyclo(Pro-Gly-Leu-Val-Met_55381_dereplictor_pv_5.33724e-12 [M+2H]2+
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DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H]
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SPECTRUMID=CCMSLIB00000577815
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577815
SCANS=325
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457.175537	76.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577816
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SPECTRUMID=CCMSLIB00000577816
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577816
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577817
PEPMASS=642.344
CHARGE=2
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640.358337	480.0
641.368042	348.0
643.330566	364.0
644.312012	1260.0
645.351807	396.0
END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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COLLISION_ENERGY=N/A
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434.196198	208.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577821
PEPMASS=638.82
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
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DATACOLLECTOR=N/A
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713.307678	804.0
714.310608	408.0
741.306946	1340.0
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577822
PEPMASS=1009.54
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=[D-Asp3_ADMAdda5]microcystine-LR_08534_dereplictor_pv_8.25454e-12 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)[C@]1([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C(=C([H])[H])N(C(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C(\[H])=C(/[H])\C(=C(/[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])\C([H])([H])[H])C(=O)O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
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PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577822
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577822
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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COLLISION_ENERGY=N/A
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577827
SCANS=337
114.101593	88.0
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END IONS

BEGIN IONS
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COLLISION_ENERGY=N/A
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LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577828
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577828
SCANS=338
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577829
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CHARGE=3
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FILENAME=spectra_from_json.mgf
SEQ=*..*
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121.080841	584.0
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512.268616	1708.0
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515.238831	612.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577830
PEPMASS=560.289
CHARGE=1
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SOURCE_INSTRUMENT=Unknown
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SEQ=*..*
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NAME=versicoloritide_A_22810_dereplictor_pv_1.77097e-11 [M+H]+
PI=Pevzner
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USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577830
SCANS=340
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245.113892	27968.0
246.116028	5148.0
263.140381	10120.0
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393.184601	1680.0
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561.276428	1336.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577831
PEPMASS=822.482
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=E-Dehydroapratoxin_A_48001_dereplictor_pv_1.87784e-11 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N1C(=O)\C(=C([H])\[C@]2([H])N=C(SC2([H])[H])\C(=C([H])\C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@]1([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577832
PEPMASS=909.614
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Bassianolide_24128_dereplictor_pv_1.94184e-11 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577833
PEPMASS=356.205
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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427.398682	140.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577834
PEPMASS=568.837
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Sch-218157_47183_dereplictor_pv_1.97953e-11 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]N([H])C(=O)C([H])([H])C([H])([H])C1([H])N(C(=O)C([H])(N([H])C(=O)C2([H])N(C(=O)C([H])(N([H])C(=O)C([H])(N(C(=O)C([H])(N(C(=O)C([H])([H])N([H])C(=O)C3([H])N(C(=O)C([H])(N([H])C(=O)C([H])(OC1=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C57H89N11O13/c1-12-34(7)46-55(78)68-28-18-17-22-40(68)51(74)62-45(32(3)4)54(77)65(10)41(25-27-43(59)70)57(80)81-48(35(8)13-2)52(75)61-37(30-36-20-15-14-16-21-36)53(76)67-29-19-23-39(67)49(72)60-31-44(71)66(11)47(33(5)6)56(79)64(9)38(50(73)63-46)24-26-42(58)69/h14-16,20-21,32-35,37-41,45-48H,12-13,17-19,22-31H2,1-11H3,(H2,58,69)(H2,59,70)(H,60,72)(H,61,75)(H,62,74)(H,63,73)
INCHIAUX=QCJQYVAVPCMYKU-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577834
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577834
SCANS=344
97.070969	276.0
98.06057	380.0
112.081558	292.0
120.078575	252.0
140.07576	452.0
155.091522	304.0
169.137314	420.0
225.125107	476.0
228.178726	460.0
245.142227	280.0
256.161011	272.0
266.136475	324.0
326.681854	404.0
338.670807	404.0
350.20105	512.0
383.202271	312.0
388.711243	396.0
439.747986	256.0
440.705963	416.0
497.73053	320.0
497.8013	308.0
498.278473	256.0
498.325439	360.0
498.795593	316.0
502.285217	256.0
561.28949	392.0
566.317688	1008.0
566.776917	888.0
567.302002	992.0
567.792114	752.0
568.275696	1392.0
568.31897	268.0
568.782043	472.0
568.797363	408.0
569.29718	544.0
573.289551	484.0
573.313416	632.0
634.423279	364.0
881.510864	280.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577835
PEPMASS=363.699
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Tyr-Ala-Gly-Phe-Leu-Arg_60502_dereplictor_pv_2.18733e-11 [M+2H]2+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H]
INCHI=InChI=1S/C35H51N9O8/c1-20(2)16-27(32(49)43-26(34(51)52)10-7-15-39-35(37)38)44-33(50)28(18-22-8-5-4-6-9-22)42-29(46)19-40-30(47)21(3)41-31(48)25(36)17-23-11-13-24(45)14-12-23/h4-6,8-9,11-14,20-21,25-28,45H,7,10,15-19,36H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)(H,43,49)(H,44,50)(H,51,52)(H4,37,38,39)/t21-,25-,26-,27-,28-/m0/s1
INCHIAUX=GDPHPXYFLPDZGH-OZDPOCAXSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577835
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577835
SCANS=345
51.312504	1522.04541
51.517643	1800.881226
51.632378	1729.113403
58.459278	1542.145996
65.401367	1672.486938
69.627464	1816.013306
70.065735	2842.599609
71.04998	2141.62793
71.086296	2090.486328
79.021896	7938.169434
84.04509	2435.448975
84.081284	2184.746826
86.096695	29511.376953
89.673256	2056.328613
91.05378	8002.416992
93.486763	1908.342529
97.064781	2487.929199
112.087044	2129.302734
115.722458	1883.171875
119.04882	17540.560547
120.08075	10677.344727
121.247459	2019.996826
124.885254	1837.409302
134.992935	21091.224609
136.075378	395803.90625
137.079056	30333.798828
138.379349	1941.381104
147.043762	40415.324219
149.023468	3382.186523
156.113052	3595.67749
157.107681	2485.372803
158.092224	8000.020508
166.966614	2380.457275
175.018753	2182.92334
175.1185	75690.140625
175.133026	3814.24292
181.060303	2202.706055
181.096588	81800.265625
182.099701	7564.36377
192.998474	2358.206055
199.594849	2748.150391
202.086212	3580.115479
211.008774	223240.796875
233.164215	15929.59082
248.13768	2622.38208
251.045944	238694.921875
252.049301	36297.101562
258.0755	4763.025879
259.10498	2642.392578
261.159363	4129.168457
271.175415	12824.375
273.162415	9648.850586
275.101898	9406.255859
288.203094	12671.418945
292.129272	10419.615234
329.000977	2410.134766
400.236115	5094.875488
418.244659	4280.446289
435.270508	85698.460938
436.273529	29788.888672
545.316772	4099.896973
546.303101	56339.648438
547.304199	17748.212891
563.329773	41855.378906
564.329102	12205.012695
623.586243	2124.241943
666.304199	2406.683838
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577836
PEPMASS=801.402
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=WIN-66306_36062_dereplictor_pv_2.42268e-11 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC1=C([H])C([H])=C(C([H])=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])(O[H])C1([H])N([H])C(=O)C([H])([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C2([H])N(C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C1=O)C([H])([H])C1=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C13)C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)
INCHIAUX=BNPYZZVTLFIGQT-UHFFFAOYSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577836
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577836
SCANS=346
130.108612	276.0
155.08139	1176.0
157.090302	664.0
202.121613	488.0
203.128967	328.0
226.138962	448.0
226.160019	376.0
227.161118	512.0
230.111618	620.0
230.133713	1040.0
244.110718	336.0
254.160263	472.0
270.066833	464.0
287.144196	1232.0
311.183533	676.0
325.142365	392.0
339.144531	264.0
344.168488	700.0
383.179993	276.0
398.184326	356.0
424.175049	268.0
428.282227	480.0
458.209747	336.0
497.222198	304.0
540.294006	452.0
755.404297	272.0
783.377014	1908.0
784.264099	388.0
784.374817	916.0
801.399292	752.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577837
PEPMASS=814.471
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=apratoxin_G_21708_dereplictor_pv_2.50948e-11 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]O[C@@]1([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)\C(=C([H])\C2([H])N=C(SC2([H])[H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
INCHI=InChI=1S/C43H67N5O8S/c1-24(2)36-41(53)47(12)29(7)42(54)56-35(43(8,9)10)20-25(3)19-34(49)27(5)38-44-31(23-57-38)21-26(4)37(50)45-33(22-30-15-17-32(55-14)18-16-30)40(52)46(11)28(6)39(51)48(36)13/h15-18,21,24-25,27-29,31,33-36,49H,19-20,22-23H2,1-14H3,(H,45,50)/b26-21+/t25-,27-,28-,29-,31?,33-,34-,35-,36-/m0/s1
INCHIAUX=QYPABEUQMXOENV-NWZCPQEJSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577837
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577837
SCANS=347
199.151886	276.0
227.146576	552.0
241.109634	404.0
255.13295	480.0
284.214172	272.0
312.202087	784.0
313.195404	380.0
326.213196	1000.0
327.209686	516.0
334.171234	256.0
340.225647	260.0
354.174011	304.0
354.20752	404.0
368.210419	552.0
368.231201	828.0
387.226562	556.0
409.206451	544.0
411.240997	252.0
426.290192	268.0
429.175568	272.0
439.268341	700.0
440.244598	484.0
440.273773	340.0
446.301117	264.0
453.259094	1052.0
453.286011	1108.0
454.250824	256.0
454.306427	304.0
467.259247	512.0
467.300323	924.0
496.292145	284.0
507.299835	392.0
515.289429	312.0
538.279785	372.0
538.34491	300.0
539.328796	328.0
552.297974	404.0
552.355408	680.0
567.346436	412.0
588.28833	320.0
595.36853	304.0
607.862122	312.0
620.880432	364.0
621.33429	412.0
623.368652	416.0
623.403442	360.0
624.401978	364.0
637.336792	736.0
637.403015	788.0
638.407104	508.0
651.407227	364.0
652.433777	432.0
690.45575	380.0
713.38092	272.0
736.479614	332.0
737.490662	372.0
751.429199	480.0
762.96051	252.0
763.422913	256.0
768.454773	372.0
775.928528	488.0
775.969604	444.0
776.459473	552.0
777.014038	276.0
777.457947	460.0
783.435791	264.0
793.484985	356.0
793.531616	552.0
805.451599	1548.0
806.434448	1084.0
807.359253	408.0
807.43103	640.0
807.515625	576.0
808.425781	424.0
808.478943	340.0
810.519287	368.0
812.540649	284.0
813.083984	296.0
813.495605	812.0
813.640137	288.0
813.722412	308.0
813.983704	364.0
814.434082	2516.0
814.478699	3588.0
814.97168	2720.0
815.463257	1724.0
815.925964	360.0
815.978882	680.0
816.458374	668.0
816.924377	524.0
816.989319	476.0
817.466919	2008.0
817.975769	2280.0
818.480713	1012.0
818.940918	308.0
819.485535	1120.0
820.489197	268.0
821.531738	1400.0
822.516113	888.0
835.444092	288.0
836.362793	312.0
837.481812	364.0
904.527588	508.0
920.483948	368.0
975.493652	420.0
975.567078	280.0
1090.633667	348.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577838
PEPMASS=845.502
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Brunsvicamide_A_53750_dereplictor_pv_2.53391e-11 [M+H]+
PI=Pevzner
DATACOLLECTOR=N/A
SMILES=[H]OC(=O)[C@@]([H])(N([H])C(=O)N([H])[C@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
INCHI=InChI=1S/C45H64N8O8/c1-8-28(6)38(44(59)60)52-45(61)50-33-20-14-15-21-46-39(54)34(23-29-16-10-9-11-17-29)48-41(56)36(24-30-25-47-32-19-13-12-18-31(30)32)53(7)43(58)35(22-26(2)3)49-42(57)37(27(4)5)51-40(33)55/h9-13,16-19,25-28,33-38,47H,8,14-15,20-24H2,1-7H3,(H,46,54)(H,48,56)(H,49,57)(H,51,55)(H,59,60)(H2,50,52,61)/t28-,33-,34-,35-,36-,37-,38-/m0/s1
INCHIAUX=QOCMZEOVWQAOFT-XYISZGLCSA-N
PUBMED=N/A
SUBMITUSER=mwang87
LIBRARYQUALITY=3
SPECTRUMID=CCMSLIB00000577838
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577838
SCANS=348
120.079315	184.0
129.104797	204.0
155.118805	208.0
173.107269	1132.0
174.053223	196.0
174.106613	284.0
185.130035	268.0
189.112671	248.0
201.101883	340.0
202.093597	184.0
211.147415	232.0
213.160767	232.0
214.166504	228.0
226.159622	180.0
229.099075	332.0
231.152191	516.0
232.151917	244.0
314.182281	188.0
317.135132	180.0
320.172455	552.0
321.173645	160.0
339.235443	168.0
348.173004	440.0
391.210968	248.0
405.24881	448.0
408.256561	172.0
431.237671	160.0
433.245911	348.0
443.246399	232.0
458.279663	216.0
470.345276	180.0
479.262421	204.0
486.299896	236.0
491.274048	164.0
514.302307	284.0
520.256775	256.0
532.303955	432.0
557.351929	276.0
603.362366	180.0
633.348206	168.0
687.914673	232.0
689.924377	256.0
691.43219	180.0
691.921326	260.0
692.414795	196.0
702.418396	304.0
715.386108	304.0
732.913025	236.0
807.982666	176.0
827.462524	152.0
842.47168	288.0
843.446045	160.0
845.495056	2616.0
846.499023	1280.0
847.491882	436.0
848.514954	308.0
849.481018	368.0
850.488098	212.0
850.556946	216.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577839
PEPMASS=566.797
CHARGE=2
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=N/A
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Stenothricin_component_IV_30423_dereplictor_pv_2.69708e-11 [M+2H]2+
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577840
PEPMASS=1154.71
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=LC-ESI-qTof
FILENAME=spectra_from_json.mgf
SEQ=*..*
IONMODE=Positive
ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Spectra matches to compound Massetolide B (WLIP/Viscosin/Massetolide molecular family) [M+H]+
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BEGIN IONS
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BEGIN IONS
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
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END IONS

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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577844
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577848
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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BEGIN IONS
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PEPMASS=289.153
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FILENAME=spectra_from_json.mgf
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577853
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CHARGE=2
MSLEVEL=2
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
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BEGIN IONS
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358.217133	76.0
569.33075	72.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577855
PEPMASS=1428.92
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SCANS=365
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1216.759399	688.0
1217.716919	344.0
1228.790527	640.0
1229.658203	392.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577856
PEPMASS=349.182
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COLLISION_ENERGY=N/A
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SPECTRUMID=CCMSLIB00000577856
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577856
SCANS=366
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577857
PEPMASS=1175.78
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
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FILENAME=spectra_from_json.mgf
SEQ=*..*
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577858
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CHARGE=1
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FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
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SPECTRUMID=CCMSLIB00000577858
USI=mzspec:GNPS:DEREPLICATOR_IDENTIFIED_LIBRARY:accession:CCMSLIB00000577858
SCANS=368
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577859
PEPMASS=1161.77
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Trichorovin-IVa_37486_dereplictor_pv_6.82996e-11 [M+H]+
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BEGIN IONS
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577863
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577864
PEPMASS=1112.68
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COLLISION_ENERGY=N/A
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577865
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COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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END IONS

BEGIN IONS
TITLE=CCMSLIB00000577866
PEPMASS=720.454
CHARGE=1
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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ORGANISM=DEREPLICATOR_IDENTIFIED_LIBRARY
NAME=Ahpatinin_F_23795_dereplictor_pv_9.5129e-11 [M+H]+
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721.452332	1492.0
722.457703	424.0
END IONS

BEGIN IONS
TITLE=CCMSLIB00000577867
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CHARGE=3
MSLEVEL=2
FRAGMENTATION_METHOD=N/A
COLLISION_ENERGY=N/A
SOURCE_INSTRUMENT=Unknown
FILENAME=spectra_from_json.mgf
SEQ=*..*
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END IONS

BEGIN IONS
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END IONS

BEGIN IONS
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456.264008	428.0
468.27887	2180.0
469.240509	300.0
469.28476	580.0
470.244263	424.0
482.277618	448.0
539.320496	7296.0
540.326172	2156.0
541.320129	620.0
553.332947	1244.0
554.292969	376.0
554.342224	292.0
636.384216	344.0
862.511597	312.0
933.527893	572.0
934.566772	420.0
935.551697	312.0
947.586731	6096.0
948.580017	3184.0
949.58783	996.0
950.543152	396.0
950.624573	448.0
961.608032	376.0
962.540039	276.0
962.606689	680.0
END IONS