rowid,scan,spectrum_id,collision_energy,Adduct,Compound_Source,Compound_Name,Precursor_MZ,ExactMass,Charge,Ion_Mode,Smiles,INCHI,InChIKey_smiles,msManufacturer,msMassAnalyzer,msIonisation,msDissociationMethod,GNPS_library_membership,ppmBetweenExpAndThMass,classyfire_kingdom,classyfire_superclass,classyfire_class,classyfire_subclass,classyfire_direct_parent,np_classifier_nplikeness,falcon_cluster,spectrum_id_int,representative_spectrum_int,InChIKey_smiles_firstBlock,fp_pattern,fp_popcnt,fp_morgan,fp_morgan_popcnt
1,1,CCMSLIB00000001547,,[M+H]1+,isolated,3-Des-Microcystein_LR,981.54,980.533117744,1,positive,CC(C=CC1NC(=O)C(CCCN=C(N)N)NC(=O)C(C)C(C(=O)O)NC(=O)C(CC(C)C)=NC(=O)C(C)NC(=O)C(C)N(C)C(=O)CCC(C(=O)O)NC(=O)C1C)=CC(C)C(O)Cc1ccccc1,"InChI=1S/C48H72N10O12/c1-25(2)22-36-45(66)57-39(47(69)70)29(6)41(62)54-34(16-13-21-51-48(49)50)44(65)53-33(18-17-26(3)23-27(4)37(59)24-32-14-11-10-12-15-32)28(5)40(61)55-35(46(67)68)19-20-38(60)58(9)31(8)43(64)52-30(7)42(63)56-36/h10-12,14-15,17-18,23,25,27-31,33-35,37,39,59H,13,16,19-22,24H2,1-9H3,(H,52,64)(H,53,65)(H,54,62)(H,55,61)(H,57,66)(H,67,68)(H,69,70)(H4,49,50,51)",UYJGHPVHCMVZPP-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.4062627484887423,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Oligopeptides,0.97,456810,1,1,UYJGHPVHCMVZPP,http://masst-records.gnps2.org/masst_records/library_table/1.blob?_blob_column=fp_pattern,727,http://masst-records.gnps2.org/masst_records/library_table/1.blob?_blob_column=fp_morgan,99
2,2,CCMSLIB00000001548,,[M+H]1+,isolated,Hoiamide B,940.25,939.451956536,1,positive,CCCC(C)C(O)C(C)C1OC(=O)C(C(C)O)NC(=O)C(C(C)CC)OC(=O)C(C)C(O)C(C(C)CC)NC(=O)C2(C)CSC(=N2)C2(C)CSC(=N2)c2csc(n2)CC(OC)C1C,"InChI=1S/C45H73N5O10S3/c1-14-17-24(6)34(52)26(8)37-25(7)30(58-13)18-31-46-29(19-61-31)39-49-45(12,21-62-39)43-50-44(11,20-63-43)42(57)48-32(22(4)15-2)35(53)27(9)40(55)59-36(23(5)16-3)38(54)47-33(28(10)51)41(56)60-37/h19,22-28,30,32-37,51-53H,14-18,20-21H2,1-13H3,(H,47,54)(H,48,57)",KNGPFNUOXXLKCN-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,222.4836459813232,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.43,453410,2,2,KNGPFNUOXXLKCN,http://masst-records.gnps2.org/masst_records/library_table/2.blob?_blob_column=fp_pattern,901,http://masst-records.gnps2.org/masst_records/library_table/2.blob?_blob_column=fp_morgan,96
3,3,CCMSLIB00000001549,,[M+H]1+,isolated,Malyngamide C,456.1,455.2438509959999,1,positive,CCCCCCCC(CC=CCCC(=O)NCC(=CCl)C12OC1C(O)CCC2=O)OC,"InChI=1S/C24H38ClNO5/c1-3-4-5-6-8-11-19(30-2)12-9-7-10-13-22(29)26-17-18(16-25)24-21(28)15-14-20(27)23(24)31-24/h7,9,16,19-20,23,27H,3-6,8,10-15,17H2,1-2H3,(H,26,29)",WXDBUBIFYCCNLE-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,331.23572319124634,Organic compounds,Organoheterocyclic compounds,Oxepanes,,Oxepanes,2.15,315560,3,3,WXDBUBIFYCCNLE,http://masst-records.gnps2.org/masst_records/library_table/3.blob?_blob_column=fp_pattern,421,http://masst-records.gnps2.org/masst_records/library_table/3.blob?_blob_column=fp_morgan,65
4,4,CCMSLIB00000001550,,[M+H]1+,isolated,Scytonemin,545.0,544.14230712,1,positive,O=C1C(=Cc2ccc(O)cc2)C2=Nc3ccccc3C2=C1C1=C2C(=Nc3ccccc32)C(=Cc2ccc(O)cc2)C1=O,"InChI=1S/C36H20N2O4/c39-21-13-9-19(10-14-21)17-25-33-29(23-5-1-3-7-27(23)37-33)31(35(25)41)32-30-24-6-2-4-8-28(24)38-34(30)26(36(32)42)18-20-11-15-22(40)16-12-20/h1-18,39-40H",CGZKSPLDUIRCIO-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,274.39275052211826,Organic compounds,Organoheterocyclic compounds,Indoles and derivatives,,Indoles and derivatives,0.33,373931,4,4,CGZKSPLDUIRCIO,http://masst-records.gnps2.org/masst_records/library_table/4.blob?_blob_column=fp_pattern,791,http://masst-records.gnps2.org/masst_records/library_table/4.blob?_blob_column=fp_morgan,36
5,5,CCMSLIB00000001551,,[M+H]1+,isolated,Salinisporamide A,314.116,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,143133,5,5,,,,,
6,6,CCMSLIB00000001552,,[M+H]1+,isolated,Hectochlorin,667.115,666.1053279380001,1,positive,CC(=O)OC1c2nc(cs2)C(=O)OC(CCCC(C)(Cl)[37Cl])C(C)C(=O)OC(C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C,"InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/i28+2",USXIYWCPCGVOKF-CRTVXBCISA-N,,qtof,ESI,,GNPS-LIBRARY,3006.1655389726047,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.73,417401,6,6,USXIYWCPCGVOKF,http://masst-records.gnps2.org/masst_records/library_table/6.blob?_blob_column=fp_pattern,643,http://masst-records.gnps2.org/masst_records/library_table/6.blob?_blob_column=fp_morgan,69
7,7,CCMSLIB00000001553,,[M+H]1+,isolated,Hectochlorin,689.0,664.1082780280001,1,positive,CC(=O)OC1c2nc(cs2)C(=O)OC(CCCC(C)(Cl)Cl)C(C)C(=O)OC(C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C,"InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3",USXIYWCPCGVOKF-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,35910.22245992388,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.73,421157,7,7,USXIYWCPCGVOKF,http://masst-records.gnps2.org/masst_records/library_table/7.blob?_blob_column=fp_pattern,643,http://masst-records.gnps2.org/masst_records/library_table/7.blob?_blob_column=fp_morgan,67
8,8,CCMSLIB00000001554,,[M-H2O+H]1+,isolated,Cyclomarin A,1025.61,1042.610305444,1,positive,COC(c1ccccc1)C1NC(=O)C(C)NC(=O)C(CC(C)CO)N(C)C(=O)C(C(O)c2cn(C(C)(C)C3CO3)c3ccccc23)NC(=O)C(C(C)C=C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC1=O,"InChI=1S/C56H82N8O11/c1-30(2)24-34(8)44-52(70)60-45(47(66)38-27-64(56(10,11)42-29-75-42)39-23-19-18-22-37(38)39)55(73)63(13)41(26-33(7)28-65)50(68)57-35(9)49(67)61-46(48(74-14)36-20-16-15-17-21-36)53(71)58-43(32(5)6)54(72)62(12)40(25-31(3)4)51(69)59-44/h15-24,27,31-35,40-48,65-66H,25-26,28-29H2,1-14H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)",WCNJVJCYRBJSLC-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,2.9046017031674563,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,0.87,458092,8,8,WCNJVJCYRBJSLC,http://masst-records.gnps2.org/masst_records/library_table/8.blob?_blob_column=fp_pattern,878,http://masst-records.gnps2.org/masst_records/library_table/8.blob?_blob_column=fp_morgan,93
9,9,CCMSLIB00000001555,,[M+H]1+,isolated,Hectochlorin,665.115,664.1082780280001,1,positive,CC(=O)OC1c2nc(cs2)C(=O)OC(CCCC(C)(Cl)Cl)C(C)C(=O)OC(C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C,"InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3",USXIYWCPCGVOKF-UHFFFAOYSA-N,,ftms,ESI,,GNPS-LIBRARY,0.8307526382049505,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.73,417009,9,9,USXIYWCPCGVOKF,http://masst-records.gnps2.org/masst_records/library_table/9.blob?_blob_column=fp_pattern,643,http://masst-records.gnps2.org/masst_records/library_table/9.blob?_blob_column=fp_morgan,67
10,10,CCMSLIB00000001556,,[M+Na]1+,isolated,Cyclomarin A,1065.6,1042.610305444,1,positive,COC(c1ccccc1)C1NC(=O)C(C)NC(=O)C(CC(C)CO)N(C)C(=O)C(C(O)c2cn(C(C)(C)C3CO3)c3ccccc23)NC(=O)C(C(C)C=C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC1=O,"InChI=1S/C56H82N8O11/c1-30(2)24-34(8)44-52(70)60-45(47(66)38-27-64(56(10,11)42-29-75-42)39-23-19-18-22-37(38)39)55(73)63(13)41(26-33(7)28-65)50(68)57-35(9)49(67)61-46(48(74-14)36-20-16-15-17-21-36)53(71)58-43(32(5)6)54(72)62(12)40(25-31(3)4)51(69)59-44/h15-24,27,31-35,40-48,65-66H,25-26,28-29H2,1-14H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)",WCNJVJCYRBJSLC-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.4407545110454463,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,0.87,459244,10,10,WCNJVJCYRBJSLC,http://masst-records.gnps2.org/masst_records/library_table/10.blob?_blob_column=fp_pattern,878,http://masst-records.gnps2.org/masst_records/library_table/10.blob?_blob_column=fp_morgan,93
11,11,CCMSLIB00000001557,,[M+H]1+,isolated,Halimide B,351.182,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,200328,11,11,,,,,
12,12,CCMSLIB00000001558,,[M+Na]1+,isolated,Hectochlorin,687.0,664.1082780280001,1,positive,CC(=O)OC1c2nc(cs2)C(=O)OC(CCCC(C)(Cl)Cl)C(C)C(=O)OC(C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C,"InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3",USXIYWCPCGVOKF-UHFFFAOYSA-N,,ftms,ESI,,GNPS-LIBRARY,141.89659379479903,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.73,420737,12,12,USXIYWCPCGVOKF,http://masst-records.gnps2.org/masst_records/library_table/12.blob?_blob_column=fp_pattern,643,http://masst-records.gnps2.org/masst_records/library_table/12.blob?_blob_column=fp_morgan,67
13,13,CCMSLIB00000001559,,[M+Na]1+,isolated,Halimide B,373.164,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,227794,13,13,,,,,
14,14,CCMSLIB00000001560,,[M+H]1+,isolated,Jamaicamide A,569.0,566.154697412,1,positive,COC(=CC(=O)N1C(=O)C=CC1C)CCNC(=O)CCC=CC(C)CCC(=CCl)CCCC#CBr,"InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)",NAIKIJSSBJHCBL-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,3240.7398086421213,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,N-substituted carboxylic acid imides,1.57,384585,14,14,NAIKIJSSBJHCBL,http://masst-records.gnps2.org/masst_records/library_table/14.blob?_blob_column=fp_pattern,362,http://masst-records.gnps2.org/masst_records/library_table/14.blob?_blob_column=fp_morgan,72
15,15,CCMSLIB00000001561,,[M+H]1+,isolated,Orellin B,438.152,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,298144,15,15,,,,,
16,16,CCMSLIB00000001562,,[M+H]1+,isolated,Jamaicamide A,591.0,566.154697412,1,positive,COC(=CC(=O)N1C(=O)C=CC1C)CCNC(=O)CCC=CC(C)CCC(=CCl)CCCC#CBr,"InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)",NAIKIJSSBJHCBL-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,42030.36419491651,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,N-substituted carboxylic acid imides,1.57,393254,16,16,NAIKIJSSBJHCBL,http://masst-records.gnps2.org/masst_records/library_table/16.blob?_blob_column=fp_pattern,362,http://masst-records.gnps2.org/masst_records/library_table/16.blob?_blob_column=fp_morgan,72
17,17,CCMSLIB00000001563,,[M+H]1+,isolated,Exumolide A,730.418,729.4101490999999,1,positive,CC(C)CC1OC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C1=O,"InChI=1S/C41H55N5O7/c1-26(2)22-34-37(48)42-30(24-28-14-8-6-9-15-28)36(47)43-31(25-29-16-10-7-11-17-29)38(49)46-21-13-19-33(46)41(52)53-35(23-27(3)4)40(51)45-20-12-18-32(45)39(50)44(34)5/h6-11,14-17,26-27,30-35H,12-13,18-25H2,1-5H3,(H,42,48)(H,43,47)",GWGKNTICBPKKKW-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.7828159322691061,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.01,427691,17,17,GWGKNTICBPKKKW,http://masst-records.gnps2.org/masst_records/library_table/17.blob?_blob_column=fp_pattern,678,http://masst-records.gnps2.org/masst_records/library_table/17.blob?_blob_column=fp_morgan,60
18,18,CCMSLIB00000001564,,[M+H]1+,isolated,Jamaicamide A,567.0,566.154697412,1,positive,COC(=CC(=O)N1C(=O)C=CC1C)CCNC(=O)CCC=CC(C)CCC(=CCl)CCCC#CBr,"InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)",NAIKIJSSBJHCBL-UHFFFAOYSA-N,,ftms,ESI,,GNPS-LIBRARY,285.5896810191866,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,N-substituted carboxylic acid imides,1.57,383714,18,18,NAIKIJSSBJHCBL,http://masst-records.gnps2.org/masst_records/library_table/18.blob?_blob_column=fp_pattern,362,http://masst-records.gnps2.org/masst_records/library_table/18.blob?_blob_column=fp_morgan,72
19,19,CCMSLIB00000001565,,[M+Na]1+,isolated,Jamaicamide A,589.0,566.154697412,1,positive,COC(=CC(=O)N1C(=O)C=CC1C)CCNC(=O)CCC=CC(C)CCC(=CCl)CCCC#CBr,"InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)",NAIKIJSSBJHCBL-UHFFFAOYSA-N,,ftms,ESI,,GNPS-LIBRARY,244.2864141504671,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,N-substituted carboxylic acid imides,1.57,392676,19,19,NAIKIJSSBJHCBL,http://masst-records.gnps2.org/masst_records/library_table/19.blob?_blob_column=fp_pattern,362,http://masst-records.gnps2.org/masst_records/library_table/19.blob?_blob_column=fp_morgan,72
20,20,CCMSLIB00000001566,,[M+Na]1+,isolated,Exumolide A,752.399,729.4101490999999,1,positive,CC(C)CC1OC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)N(C)C(=O)C2CCCN2C1=O,"InChI=1S/C41H55N5O7/c1-26(2)22-34-37(48)42-30(24-28-14-8-6-9-15-28)36(47)43-31(25-29-16-10-7-11-17-29)38(49)46-21-13-19-33(46)41(52)53-35(23-27(3)4)40(51)45-20-12-18-32(45)39(50)44(34)5/h6-11,14-17,26-27,30-35H,12-13,18-25H2,1-5H3,(H,42,48)(H,43,47)",GWGKNTICBPKKKW-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.4950369625049744,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.01,431161,20,20,GWGKNTICBPKKKW,http://masst-records.gnps2.org/masst_records/library_table/20.blob?_blob_column=fp_pattern,678,http://masst-records.gnps2.org/masst_records/library_table/20.blob?_blob_column=fp_morgan,60
21,21,CCMSLIB00000001567,,[M+H]1+,isolated,Jamaicamide B,491.0,488.244185344,1,positive,C#CCCCC(=CCl)CCC(C)C=CCCC(=O)NCCC(=CC(=O)N1C(=O)C=CC1C)OC,"InChI=1S/C27H37ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h1,8,10,14,16,19-22H,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)",KZVHAGNFWJIOMX-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,3573.907286681136,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,N-substituted carboxylic acid imides,1.36,343700,21,21,KZVHAGNFWJIOMX,http://masst-records.gnps2.org/masst_records/library_table/21.blob?_blob_column=fp_pattern,353,http://masst-records.gnps2.org/masst_records/library_table/21.blob?_blob_column=fp_morgan,70
22,22,CCMSLIB00000001568,,[M+Na]1+,isolated,Halovir B,860.584,837.5939271079999,1,positive,CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C,"InChI=1S/C43H79N7O9/c1-9-10-11-12-13-14-15-16-17-18-19-20-37(54)49-43(7,8)42(59)50-26-32(52)25-35(50)41(58)48-34(24-29(4)5)40(57)45-30(6)38(55)47-33(21-22-36(44)53)39(56)46-31(27-51)23-28(2)3/h28-35,51-52H,9-27H2,1-8H3,(H2,44,53)(H,45,57)(H,46,56)(H,47,55)(H,48,58)(H,49,54)",FFCLYSVFZQXUHI-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.9862662296017904,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Oligopeptides,-0.12,446409,22,22,FFCLYSVFZQXUHI,http://masst-records.gnps2.org/masst_records/library_table/22.blob?_blob_column=fp_pattern,556,http://masst-records.gnps2.org/masst_records/library_table/22.blob?_blob_column=fp_morgan,72
23,23,CCMSLIB00000001569,,[M+H]1+,isolated,Jamaicamide B,489.0,488.244185344,1,positive,C#CCCCC(=CCl)CCC(C)C=CCCC(=O)NCCC(=CC(=O)N1C(=O)C=CC1C)OC,"InChI=1S/C27H37ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h1,8,10,14,16,19-22H,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)",KZVHAGNFWJIOMX-UHFFFAOYSA-N,,ftms,ESI,,GNPS-LIBRARY,513.9701360752025,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,N-substituted carboxylic acid imides,1.36,342425,23,23,KZVHAGNFWJIOMX,http://masst-records.gnps2.org/masst_records/library_table/23.blob?_blob_column=fp_pattern,353,http://masst-records.gnps2.org/masst_records/library_table/23.blob?_blob_column=fp_morgan,70
24,24,CCMSLIB00000001570,,[M+H]1+,isolated,Halovir A,866.633,865.625227236,1,positive,CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C)C(C)C,"InChI=1S/C45H83N7O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(56)51-45(8,9)44(61)52-27-33(54)26-36(52)42(59)49-35(25-30(4)5)41(58)50-39(31(6)7)43(60)48-34(22-23-37(46)55)40(57)47-32(28-53)24-29(2)3/h29-36,39,53-54H,10-28H2,1-9H3,(H2,46,55)(H,47,57)(H,48,60)(H,49,59)(H,50,58)(H,51,56)",GRJSOZDXIUZXEW-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.568734262775058,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Oligopeptides,-0.09,447049,24,24,GRJSOZDXIUZXEW,http://masst-records.gnps2.org/masst_records/library_table/24.blob?_blob_column=fp_pattern,578,http://masst-records.gnps2.org/masst_records/library_table/24.blob?_blob_column=fp_morgan,74
25,25,CCMSLIB00000001571,,[M+Na]1+,isolated,Jamaicamide B,511.0,488.244185344,1,positive,C#CCCCC(=CCl)CCC(C)C=CCCC(=O)NCCC(=CC(=O)N1C(=O)C=CC1C)OC,"InChI=1S/C27H37ClN2O4/c1-5-6-7-11-23(20-28)15-13-21(2)10-8-9-12-25(31)29-18-17-24(34-4)19-27(33)30-22(3)14-16-26(30)32/h1,8,10,14,16,19-22H,6-7,9,11-13,15,17-18H2,2-4H3,(H,29,31)",KZVHAGNFWJIOMX-UHFFFAOYSA-N,,ftms,ESI,,GNPS-LIBRARY,456.55249729105714,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,Carboxylic acid derivatives,N-substituted carboxylic acid imides,1.36,356081,25,25,KZVHAGNFWJIOMX,http://masst-records.gnps2.org/masst_records/library_table/25.blob?_blob_column=fp_pattern,353,http://masst-records.gnps2.org/masst_records/library_table/25.blob?_blob_column=fp_morgan,70
26,26,CCMSLIB00000001572,,[M+Na]1+,isolated,Halovir A,888.615,865.625227236,1,positive,CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CC(O)CC1C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C)C(C)C,"InChI=1S/C45H83N7O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(56)51-45(8,9)44(61)52-27-33(54)26-36(52)42(59)49-35(25-30(4)5)41(58)50-39(31(6)7)43(60)48-34(22-23-37(46)55)40(57)47-32(28-53)24-29(2)3/h29-36,39,53-54H,10-28H2,1-9H3,(H2,46,55)(H,47,57)(H,48,60)(H,49,59)(H,50,58)(H,51,56)",GRJSOZDXIUZXEW-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.6174057816641989,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Oligopeptides,-0.09,449468,26,26,GRJSOZDXIUZXEW,http://masst-records.gnps2.org/masst_records/library_table/26.blob?_blob_column=fp_pattern,578,http://masst-records.gnps2.org/masst_records/library_table/26.blob?_blob_column=fp_morgan,74
27,27,CCMSLIB00000001573,,[M+H]1+,isolated,Barbamide,463.0,460.054582016,1,positive,COC(=CC(=O)N(C)C(Cc1ccccc1)c1nccs1)CC(C)C(Cl)(Cl)Cl,"InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3",UGNRFJOMRFTXSQ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,4203.66335468808,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,0.21,321145,27,27,UGNRFJOMRFTXSQ,http://masst-records.gnps2.org/masst_records/library_table/27.blob?_blob_column=fp_pattern,397,http://masst-records.gnps2.org/masst_records/library_table/27.blob?_blob_column=fp_morgan,56
28,28,CCMSLIB00000001574,,[M+H]1+,isolated,Microsporin A,513.308,512.29987038,1,positive,CCC(=O)CCCCCC1NC(=O)C2CCCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC1=O,"InChI=1S/C28H40N4O5/c1-3-21(33)14-8-5-9-15-22-26(35)29-19(2)25(34)31-23(18-20-12-6-4-7-13-20)28(37)32-17-11-10-16-24(32)27(36)30-22/h4,6-7,12-13,19,22-24H,3,5,8-11,14-18H2,1-2H3,(H,29,35)(H,30,36)(H,31,34)",DEUCVOIWOGPZGS-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,1.6583908915224923,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,1.04,357444,28,28,DEUCVOIWOGPZGS,http://masst-records.gnps2.org/masst_records/library_table/28.blob?_blob_column=fp_pattern,454,http://masst-records.gnps2.org/masst_records/library_table/28.blob?_blob_column=fp_morgan,60
29,29,CCMSLIB00000001575,,[M+H]1+,isolated,Barbamide,461.0,460.054582016,1,positive,COC(=CC(=O)N(C)C(Cc1ccccc1)c1nccs1)CC(C)C(Cl)(Cl)Cl,"InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3",UGNRFJOMRFTXSQ-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,134.14944598011928,Organic compounds,Benzenoids,Benzene and substituted derivatives,Phenethylamines,Amphetamines and derivatives,0.21,319032,29,29,UGNRFJOMRFTXSQ,http://masst-records.gnps2.org/masst_records/library_table/29.blob?_blob_column=fp_pattern,397,http://masst-records.gnps2.org/masst_records/library_table/29.blob?_blob_column=fp_morgan,56
30,30,CCMSLIB00000001576,,[M+Na]1+,isolated,Microsporin A,535.29,512.29987038,1,positive,CCC(=O)CCCCCC1NC(=O)C2CCCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC1=O,"InChI=1S/C28H40N4O5/c1-3-21(33)14-8-5-9-15-22-26(35)29-19(2)25(34)31-23(18-20-12-6-4-7-13-20)28(37)32-17-11-10-16-24(32)27(36)30-22/h4,6-7,12-13,19,22-24H,3,5,8-11,14-18H2,1-2H3,(H,29,35)(H,30,36)(H,31,34)",DEUCVOIWOGPZGS-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,1.694441399640798,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,1.04,368948,30,30,DEUCVOIWOGPZGS,http://masst-records.gnps2.org/masst_records/library_table/30.blob?_blob_column=fp_pattern,454,http://masst-records.gnps2.org/masst_records/library_table/30.blob?_blob_column=fp_morgan,60
31,31,CCMSLIB00000001577,,[M+H]1+,isolated,Carmaphycin B,532.0,531.2978217799999,1,positive,CCCCCC(=O)NC(C(=O)NC(CCS(C)(=O)=O)C(=O)NC(CC(C)C)C(=O)C1(C)CO1)C(C)C,"InChI=1S/C25H45N3O7S/c1-8-9-10-11-20(29)28-21(17(4)5)24(32)26-18(12-13-36(7,33)34)23(31)27-19(14-16(2)3)22(30)25(6)15-35-25/h16-19,21H,8-15H2,1-7H3,(H,26,32)(H,27,31)(H,28,29)",ODAZGDXFSFEAAA-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,573.1692174004326,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Peptides,0.18,367251,31,31,ODAZGDXFSFEAAA,http://masst-records.gnps2.org/masst_records/library_table/31.blob?_blob_column=fp_pattern,433,http://masst-records.gnps2.org/masst_records/library_table/31.blob?_blob_column=fp_morgan,54
32,32,CCMSLIB00000001578,,[M+H]1+,isolated,unpublished peptide from CNL 643,1068.61,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,459297,32,32,,,,,
33,33,CCMSLIB00000001579,,[M+H]1+,isolated,Tumonoic Acid H,484.0,483.3196027799999,1,positive,CCCCCCCCC(C)C(=O)N1CCCC1C(=O)OC(C(=O)OC(C(=O)O)C(C)C)C(C)C,"InChI=1S/C26H45NO7/c1-7-8-9-10-11-12-14-19(6)23(28)27-16-13-15-20(27)25(31)34-22(18(4)5)26(32)33-21(17(2)3)24(29)30/h17-22H,7-16H2,1-6H3,(H,29,30)",XZDDLHQSVWZOPD-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,674.9199947769999,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Depsipeptides,0.67,339351,33,33,XZDDLHQSVWZOPD,http://masst-records.gnps2.org/masst_records/library_table/33.blob?_blob_column=fp_pattern,394,http://masst-records.gnps2.org/masst_records/library_table/33.blob?_blob_column=fp_morgan,49
34,34,CCMSLIB00000001580,,[M+Na]1+,isolated,unpublished peptide from CNL 643,1082.62,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,459806,34,34,,,,,
35,35,CCMSLIB00000001581,,[M+H]1+,isolated,Palmyramide A,672.1,671.3781802760001,1,positive,CCCC1OC(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)OC(=O)C(C)OC(=O)C1(C)C,"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)",QXWOTWUQMDHDCF-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,424.5483733911431,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.62,418226,35,35,QXWOTWUQMDHDCF,http://masst-records.gnps2.org/masst_records/library_table/35.blob?_blob_column=fp_pattern,649,http://masst-records.gnps2.org/masst_records/library_table/35.blob?_blob_column=fp_morgan,73
36,36,CCMSLIB00000001582,,[M+H]1+,isolated,unpublished peptide11M4,990.598,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,457183,36,36,,,,,
37,37,CCMSLIB00000001583,,[M+H]1+,isolated,Tumonoic Acid I,497.9,497.3352528439999,1,positive,CCCCC(C)CC(C)C(=O)N1CCCC1C(=O)OC(C(=O)OC(C(=O)O)C(C)CC)C(C)CC,"InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)",LWUJNFXMOSWRGO-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,888.0076100646324,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Depsipeptides,0.84,348498,37,37,LWUJNFXMOSWRGO,http://masst-records.gnps2.org/masst_records/library_table/37.blob?_blob_column=fp_pattern,413,http://masst-records.gnps2.org/masst_records/library_table/37.blob?_blob_column=fp_morgan,53
38,38,CCMSLIB00000001584,,[M+H]1+,isolated,Glucopiericidin,578.333,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,388610,38,38,,,,,
39,39,CCMSLIB00000001585,,[M+H]1+,isolated,Tumonoic Acid I,498.1,497.3352528439999,1,positive,CCCCC(C)CC(C)C(=O)N1CCCC1C(=O)OC(C(=O)OC(C(=O)O)C(C)CC)C(C)CC,"InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)",LWUJNFXMOSWRGO-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,486.677225493368,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Depsipeptides,0.84,348567,39,39,LWUJNFXMOSWRGO,http://masst-records.gnps2.org/masst_records/library_table/39.blob?_blob_column=fp_pattern,413,http://masst-records.gnps2.org/masst_records/library_table/39.blob?_blob_column=fp_morgan,53
40,40,CCMSLIB00000001586,,[M+Na]1+,isolated,Glucopiericidin,600.314,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,396928,40,40,,,,,
41,41,CCMSLIB00000001587,,[M+H]1+,isolated,Malyngamide K,424.0,423.25402175599993,1,positive,CCCCCCCC(CC=CCCC(=O)NCC(=CCl)C1=CCCCC1=O)OC,"InChI=1S/C24H38ClNO3/c1-3-4-5-6-8-13-21(29-2)14-9-7-10-17-24(28)26-19-20(18-25)22-15-11-12-16-23(22)27/h7,9,15,18,21H,3-6,8,10-14,16-17,19H2,1-2H3,(H,26,28)",MFDHYPQDDSVRFS-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,615.8861860597649,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Cyclohexenones,1.27,283061,41,41,MFDHYPQDDSVRFS,http://masst-records.gnps2.org/masst_records/library_table/41.blob?_blob_column=fp_pattern,284,http://masst-records.gnps2.org/masst_records/library_table/41.blob?_blob_column=fp_morgan,60
42,42,CCMSLIB00000001588,,[M+H]1+,isolated,unpublished ME5.F6,566.428,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,383405,42,42,,,,,
43,43,CCMSLIB00000001589,,[M+H]1+,isolated,Malyngamide_J,607.9,607.3720322759998,1,positive,C=C(CCNC(=O)CCC=CCC(CCCCCCC)OC)C12OC1C(OC1OCC(OC)C(O)C1OC)C=C(C)C2=O,"InChI=1S/C33H53NO9/c1-7-8-9-10-12-15-24(38-4)16-13-11-14-17-27(35)34-19-18-23(3)33-30(37)22(2)20-25(31(33)43-33)42-32-29(40-6)28(36)26(39-5)21-41-32/h11,13,20,24-26,28-29,31-32,36H,3,7-10,12,14-19,21H2,1-2,4-6H3,(H,34,35)",UZMVEOVJASEKLP-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,787.8508421062667,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,O-glycosyl compounds,2.03,399667,43,43,UZMVEOVJASEKLP,http://masst-records.gnps2.org/masst_records/library_table/43.blob?_blob_column=fp_pattern,571,http://masst-records.gnps2.org/masst_records/library_table/43.blob?_blob_column=fp_morgan,83
44,44,CCMSLIB00000001590,,[M+H]1+,isolated,Microsporin B,515.322,514.315520444,1,positive,CCC(O)CCCCCC1NC(=O)C2CCCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC1=O,"InChI=1S/C28H42N4O5/c1-3-21(33)14-8-5-9-15-22-26(35)29-19(2)25(34)31-23(18-20-12-6-4-7-13-20)28(37)32-17-11-10-16-24(32)27(36)30-22/h4,6-7,12-13,19,21-24,33H,3,5,8-11,14-18H2,1-2H3,(H,29,35)(H,30,36)(H,31,34)",ZRWKFXOGNFQPMY-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,1.5500969525573645,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,1.13,358433,44,44,ZRWKFXOGNFQPMY,http://masst-records.gnps2.org/masst_records/library_table/44.blob?_blob_column=fp_pattern,458,http://masst-records.gnps2.org/masst_records/library_table/44.blob?_blob_column=fp_morgan,61
45,45,CCMSLIB00000001591,,[M+H]1+,isolated,Malyngamide J,608.0,607.3720322759998,1,positive,C=C(CCNC(=O)CCC=CCC(CCCCCCC)OC)C12OC1C(OC1OCC(OC)C(O)C1OC)C=C(C)C2=O,"InChI=1S/C33H53NO9/c1-7-8-9-10-12-15-24(38-4)16-13-11-14-17-27(35)34-19-18-23(3)33-30(37)22(2)20-25(31(33)43-33)42-32-29(40-6)28(36)26(39-5)21-41-32/h11,13,20,24-26,28-29,31-32,36H,3,7-10,12,14-19,21H2,1-2,4-6H3,(H,34,35)",UZMVEOVJASEKLP-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,623.4797038996338,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,O-glycosyl compounds,2.03,399668,45,45,UZMVEOVJASEKLP,http://masst-records.gnps2.org/masst_records/library_table/45.blob?_blob_column=fp_pattern,571,http://masst-records.gnps2.org/masst_records/library_table/45.blob?_blob_column=fp_morgan,83
46,46,CCMSLIB00000001592,,[M+Na]1+,isolated,Microsporin B,537.304,514.315520444,1,positive,CCC(O)CCCCCC1NC(=O)C2CCCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC1=O,"InChI=1S/C28H42N4O5/c1-3-21(33)14-8-5-9-15-22-26(35)29-19(2)25(34)31-23(18-20-12-6-4-7-13-20)28(37)32-17-11-10-16-24(32)27(36)30-22/h4,6-7,12-13,19,21-24,33H,3,5,8-11,14-18H2,1-2H3,(H,29,35)(H,30,36)(H,31,34)",ZRWKFXOGNFQPMY-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,1.3829176265291234,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,1.13,369825,46,46,ZRWKFXOGNFQPMY,http://masst-records.gnps2.org/masst_records/library_table/46.blob?_blob_column=fp_pattern,458,http://masst-records.gnps2.org/masst_records/library_table/46.blob?_blob_column=fp_morgan,61
47,47,CCMSLIB00000001593,,[M+H]1+,isolated,Malyngamide C acetate,498.0,,1,positive,,,,,,ESI,,GNPS-LIBRARY,,,,,,,,348502,47,47,,,,,
48,48,CCMSLIB00000001594,,[M+H]1+,isolated,Microsporin C,584.285,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,390873,48,48,,,,,
49,49,CCMSLIB00000001595,,[M+H]1+,isolated,Carmabin A,687.1,703.430884544,1,positive,C#CCCCCC(C)CC(C)C(=O)N(C)C(Cc1ccccc1)C(=O)NC(C)C(=O)N(C)C(C)C(=O)N(C)C(Cc1ccc(OC)cc1)C(N)=O,"InChI=1S/C40H57N5O6/c1-10-11-12-14-17-27(2)24-28(3)38(48)45(8)35(26-31-18-15-13-16-19-31)37(47)42-29(4)39(49)43(6)30(5)40(50)44(7)34(36(41)46)25-32-20-22-33(51-9)23-21-32/h1,13,15-16,18-23,27-30,34-35H,11-12,14,17,24-26H2,2-9H3,(H2,41,46)(H,42,47)",BRWIYXLUWTZWGU-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,24612.754086214976,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Peptides,0.45,420743,49,49,BRWIYXLUWTZWGU,http://masst-records.gnps2.org/masst_records/library_table/49.blob?_blob_column=fp_pattern,526,http://masst-records.gnps2.org/masst_records/library_table/49.blob?_blob_column=fp_morgan,69
50,50,CCMSLIB00000001596,,[M+Na]1+,isolated,Microsporin C,606.267,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,399259,50,50,,,,,
51,51,CCMSLIB00000001597,,[M+H]1+,isolated,Stypoldione,427.0,426.277009696,1,positive,CC1=C2OC3(C=C2C(=O)C(=O)C1)C(C)CCC1C2(C)CCC(O)C(C)(C)C2CCC13C,"InChI=1S/C27H38O4/c1-15-13-18(28)22(30)17-14-27(31-23(15)17)16(2)7-8-20-25(5)11-10-21(29)24(3,4)19(25)9-12-26(20,27)6/h14,16,19-21,29H,7-13H2,1-6H3",DQXVZKNDVNCDQE-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,665.3361242206831,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesterterpenoids,Sesterterpenoids,2.4,285941,51,51,DQXVZKNDVNCDQE,http://masst-records.gnps2.org/masst_records/library_table/51.blob?_blob_column=fp_pattern,852,http://masst-records.gnps2.org/masst_records/library_table/51.blob?_blob_column=fp_morgan,52
52,52,CCMSLIB00000001598,,[M+H]1+,isolated,Halovir C,850.636,849.6303126160001,1,positive,CCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C)C(C)C,"InChI=1S/C45H83N7O8/c1-10-11-12-13-14-15-16-17-18-19-20-23-38(55)51-45(8,9)44(60)52-26-21-22-36(52)42(58)49-35(28-31(4)5)41(57)50-39(32(6)7)43(59)48-34(24-25-37(46)54)40(56)47-33(29-53)27-30(2)3/h30-36,39,53H,10-29H2,1-9H3,(H2,46,54)(H,47,56)(H,48,59)(H,49,58)(H,50,57)(H,51,55)",VCAGNEUDNVLWPT-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,1.871674159245896,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Oligopeptides,-0.24,445458,52,52,VCAGNEUDNVLWPT,http://masst-records.gnps2.org/masst_records/library_table/52.blob?_blob_column=fp_pattern,551,http://masst-records.gnps2.org/masst_records/library_table/52.blob?_blob_column=fp_morgan,73
53,53,CCMSLIB00000001599,,[M+H]1+,isolated,Stypoltrione,424.9,,1,positive,,,,,,ESI,,GNPS-LIBRARY,,,,,,,,283774,53,53,,,,,
54,54,CCMSLIB00000001600,,[M+H]1+,isolated,Oxepinamide A,348.155,347.148120772,1,positive,CCC(C)C1(O)NC(=O)C(C)n2c1nc1c(c2=O)C=C(OC)C=CO1,"InChI=1S/C17H21N3O5/c1-5-9(2)17(23)16-18-14-12(8-11(24-4)6-7-25-14)15(22)20(16)10(3)13(21)19-17/h6-10,23H,5H2,1-4H3,(H,19,21)",LNZVLFKJDOYTAA-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,1.1464024429357187,Organic compounds,Organoheterocyclic compounds,Diazines,Pyrimidines and pyrimidine derivatives,Pyrimidones,1.08,196600,54,54,LNZVLFKJDOYTAA,http://masst-records.gnps2.org/masst_records/library_table/54.blob?_blob_column=fp_pattern,641,http://masst-records.gnps2.org/masst_records/library_table/54.blob?_blob_column=fp_morgan,55
55,55,CCMSLIB00000001601,,[M+H]1+,isolated,Apratoxin A,840.0,839.486685168,1,positive,CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)(C)C)CC(C)CC(O)C(C)C2=NC(CS2)CC(C)C(=O)N=C(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N1C,"InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,26-30,32,35-38,51H,13-15,20-25H2,1-12H3",FEBXPWGNMBVKHP-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,587.7075734800896,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.86,444229,55,55,FEBXPWGNMBVKHP,http://masst-records.gnps2.org/masst_records/library_table/55.blob?_blob_column=fp_pattern,798,http://masst-records.gnps2.org/masst_records/library_table/55.blob?_blob_column=fp_morgan,96
56,56,CCMSLIB00000001602,,[M+H]1+,isolated,Thalassospiramide B,1062.61,1061.604885716,1,positive,CCCCCCC=CCC(=O)NC(Cc1ccccc1)C(O)CC(=O)NC(C(=O)NC(CO)C(O)CC(=O)NC(C(=O)NC1CCC(=O)N=C(C(C)C)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)OC1)C(C)C)C(C)C,"InChI=1S/C56H83N7O13/c1-9-10-11-12-13-14-18-21-46(68)58-41(28-37-19-16-15-17-20-37)44(66)30-48(70)62-51(35(4)5)54(73)59-42(32-64)45(67)31-49(71)61-50(34(2)3)53(72)57-39-24-27-47(69)60-52(36(6)7)55(74)63(8)43(56(75)76-33-39)29-38-22-25-40(65)26-23-38/h14-20,22-23,25-26,34-36,39,41-45,50-51,64-67H,9-13,21,24,27-33H2,1-8H3,(H,57,72)(H,58,68)(H,59,73)(H,61,71)(H,62,70)",LTSUOBBLDXXDGS-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,2.039423664647851,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",N-acyl-alpha amino acids and derivatives,0.54,459114,56,56,LTSUOBBLDXXDGS,http://masst-records.gnps2.org/masst_records/library_table/56.blob?_blob_column=fp_pattern,734,http://masst-records.gnps2.org/masst_records/library_table/56.blob?_blob_column=fp_morgan,101
57,57,CCMSLIB00000001603,,[M+Na]1+,isolated,Apratoxin A,862.0,839.486685168,1,positive,CCC(C)C1C(=O)N2CCCC2C(=O)OC(C(C)(C)C)CC(C)CC(O)C(C)C2=NC(CS2)CC(C)C(=O)N=C(Cc2ccc(OC)cc2)C(=O)N(C)C(C)C(=O)N1C,"InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,26-30,32,35-38,51H,13-15,20-25H2,1-12H3",FEBXPWGNMBVKHP-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,551.7938663329949,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.86,446565,57,57,FEBXPWGNMBVKHP,http://masst-records.gnps2.org/masst_records/library_table/57.blob?_blob_column=fp_pattern,798,http://masst-records.gnps2.org/masst_records/library_table/57.blob?_blob_column=fp_morgan,96
58,58,CCMSLIB00000001604,,[M+H]1+,isolated,Thalassospiramide B,1084.59,1061.604885716,1,positive,CCCCCCC=CCC(=O)NC(Cc1ccccc1)C(O)CC(=O)NC(C(=O)NC(CO)C(O)CC(=O)NC(C(=O)NC1CCC(=O)N=C(C(C)C)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)OC1)C(C)C)C(C)C,"InChI=1S/C56H83N7O13/c1-9-10-11-12-13-14-18-21-46(68)58-41(28-37-19-16-15-17-20-37)44(66)30-48(70)62-51(35(4)5)54(73)59-42(32-64)45(67)31-49(71)61-50(34(2)3)53(72)57-39-24-27-47(69)60-52(36(6)7)55(74)63(8)43(56(75)76-33-39)29-38-22-25-40(65)26-23-38/h14-20,22-23,25-26,34-36,39,41-45,50-51,64-67H,9-13,21,24,27-33H2,1-8H3,(H,57,72)(H,58,68)(H,59,73)(H,61,71)(H,62,70)",LTSUOBBLDXXDGS-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,20682.8357172317,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",N-acyl-alpha amino acids and derivatives,0.54,459839,58,58,LTSUOBBLDXXDGS,http://masst-records.gnps2.org/masst_records/library_table/58.blob?_blob_column=fp_pattern,734,http://masst-records.gnps2.org/masst_records/library_table/58.blob?_blob_column=fp_morgan,101
59,59,CCMSLIB00000001605,,[M+H]1+,isolated,Apratoxin B,826.0,825.4710351040001,1,positive,CCC(C)C1NC(=O)C(C)N(C)C(=O)C(Cc2ccc(OC)cc2)=NC(=O)C(C)CC2CSC(=N2)C(C)C(O)CC(C)CC(C(C)(C)C)OC(=O)C2CCCN2C1=O,"InChI=1S/C44H67N5O8S/c1-12-26(3)37-42(54)49-19-13-14-34(49)43(55)57-36(44(7,8)9)21-25(2)20-35(50)28(5)40-45-31(24-58-40)22-27(4)38(51)46-33(23-30-15-17-32(56-11)18-16-30)41(53)48(10)29(6)39(52)47-37/h15-18,25-29,31,34-37,50H,12-14,19-24H2,1-11H3,(H,47,52)",SGICJVIWOBUOOI-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,578.7382389204896,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.97,442341,59,59,SGICJVIWOBUOOI,http://masst-records.gnps2.org/masst_records/library_table/59.blob?_blob_column=fp_pattern,780,http://masst-records.gnps2.org/masst_records/library_table/59.blob?_blob_column=fp_morgan,98
60,60,CCMSLIB00000001606,,[M+H]1+,isolated,Emericellamide A,610.416,609.4101491,1,positive,CCCCCCC(C)C1OC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)C1C,"InChI=1S/C31H55N5O7/c1-10-11-12-13-14-19(6)26-20(7)27(38)32-16-24(37)36-25(18(4)5)30(41)35-23(15-17(2)3)29(40)33-21(8)28(39)34-22(9)31(42)43-26/h17-23,25-26H,10-16H2,1-9H3,(H,32,38)(H,33,40)(H,34,39)(H,35,41)(H,36,37)",QURRTAYEASAREY-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,2.339739224201534,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.84,400768,60,60,QURRTAYEASAREY,http://masst-records.gnps2.org/masst_records/library_table/60.blob?_blob_column=fp_pattern,478,http://masst-records.gnps2.org/masst_records/library_table/60.blob?_blob_column=fp_morgan,59
61,61,CCMSLIB00000001607,,[M+Na]1+,isolated,Emericellamide A,632.398,609.4101491,1,positive,CCCCCCC(C)C1OC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)C1C,"InChI=1S/C31H55N5O7/c1-10-11-12-13-14-19(6)26-20(7)27(38)32-16-24(37)36-25(18(4)5)30(41)35-23(15-17(2)3)29(40)33-21(8)28(39)34-22(9)31(42)43-26/h17-23,25-26H,10-16H2,1-9H3,(H,32,38)(H,33,40)(H,34,39)(H,35,41)(H,36,37)",QURRTAYEASAREY-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,2.1702512048284546,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.84,408572,61,61,QURRTAYEASAREY,http://masst-records.gnps2.org/masst_records/library_table/61.blob?_blob_column=fp_pattern,478,http://masst-records.gnps2.org/masst_records/library_table/61.blob?_blob_column=fp_morgan,59
62,62,CCMSLIB00000001608,,[M+Na]1+,isolated,Apratoxin B,848.0,825.4710351040001,1,positive,CCC(C)C1NC(=O)C(C)N(C)C(=O)C(Cc2ccc(OC)cc2)=NC(=O)C(C)CC2CSC(=N2)C(C)C(O)CC(C)CC(C(C)(C)C)OC(=O)C2CCCN2C1=O,"InChI=1S/C44H67N5O8S/c1-12-26(3)37-42(54)49-19-13-14-34(49)43(55)57-36(44(7,8)9)21-25(2)20-35(50)28(5)40-45-31(24-58-40)22-27(4)38(51)46-33(23-30-15-17-32(56-11)18-16-30)41(53)48(10)29(6)39(52)47-37/h15-18,25-29,31,34-37,50H,12-14,19-24H2,1-11H3,(H,47,52)",SGICJVIWOBUOOI-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,542.4636538930569,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.97,445169,62,62,SGICJVIWOBUOOI,http://masst-records.gnps2.org/masst_records/library_table/62.blob?_blob_column=fp_pattern,780,http://masst-records.gnps2.org/masst_records/library_table/62.blob?_blob_column=fp_morgan,98
63,63,CCMSLIB00000001609,,[M+H]1+,isolated,Cyanosporaside B,440.088,417.0979150399999,1,positive,CC1OC(OC23C(=Cc4c(Cl)cc(CC#N)cc42)C=CC3O)C(=O)C(O)C1(C)O,"InChI=1S/C21H20ClNO6/c1-10-20(2,27)18(26)17(25)19(28-10)29-21-12(3-4-16(21)24)9-13-14(21)7-11(5-6-23)8-15(13)22/h3-4,7-10,16,18-19,24,26-27H,5H2,1-2H3",ULXZDYCUENKUCJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,52577.22069504858,Organic compounds,Benzenoids,Indenes and isoindenes,,Indenes and isoindenes,1.43,299607,63,63,ULXZDYCUENKUCJ,http://masst-records.gnps2.org/masst_records/library_table/63.blob?_blob_column=fp_pattern,670,http://masst-records.gnps2.org/masst_records/library_table/63.blob?_blob_column=fp_morgan,60
64,64,CCMSLIB00000001610,,[M+Na]1+,isolated,hydrated Cyanosporaside B,458.098,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,316932,64,64,,,,,
65,65,CCMSLIB00000001611,,[M+H]1+,isolated,Salinisporazine A,398.244,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,257308,65,65,,,,,
66,66,CCMSLIB00000001612,,[M+Na]1+,isolated,Salinisporazine A,420.226,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,279884,66,66,,,,,
67,67,CCMSLIB00000001613,,[M+H]1+,isolated,Cyclomarin D,995.598,1012.59974076,1,positive,C=CC(C)(C)n1cc(C(O)C2NC(=O)C(C(C)C=C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(C(OC)c3ccccc3)NC(=O)C(C)NC(=O)C(CC(C)CO)NC2=O)c2ccccc21,"InChI=1S/C55H80N8O10/c1-15-55(11,12)63-28-38(37-23-19-20-24-40(37)63)46(65)44-52(70)57-39(27-33(8)29-64)49(67)56-35(10)48(66)61-45(47(73-14)36-21-17-16-18-22-36)53(71)58-42(32(6)7)54(72)62(13)41(26-31(4)5)50(68)59-43(51(69)60-44)34(9)25-30(2)3/h15-25,28,31-35,39,41-47,64-65H,1,26-27,29H2,2-14H3,(H,56,67)(H,57,70)(H,58,71)(H,59,68)(H,60,69)(H,61,66)",AHDUXXXZGSWYHF-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,17767.261519139476,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,1.07,457379,67,67,AHDUXXXZGSWYHF,http://masst-records.gnps2.org/masst_records/library_table/67.blob?_blob_column=fp_pattern,844,http://masst-records.gnps2.org/masst_records/library_table/67.blob?_blob_column=fp_morgan,94
68,68,CCMSLIB00000001614,,[M+H]1+,isolated,Cyclomarin D,1035.59,1012.59974076,1,positive,C=CC(C)(C)n1cc(C(O)C2NC(=O)C(C(C)C=C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(C(OC)c3ccccc3)NC(=O)C(C)NC(=O)C(CC(C)CO)NC2=O)c2ccccc21,"InChI=1S/C55H80N8O10/c1-15-55(11,12)63-28-38(37-23-19-20-24-40(37)63)46(65)44-52(70)57-39(27-33(8)29-64)49(67)56-35(10)48(66)61-45(47(73-14)36-21-17-16-18-22-36)53(71)58-42(32(6)7)54(72)62(13)41(26-31(4)5)50(68)59-43(51(69)60-44)34(9)25-30(2)3/h15-25,28,31-35,39,41-47,64-65H,1,26-27,29H2,2-14H3,(H,56,67)(H,57,70)(H,58,71)(H,59,68)(H,60,69)(H,61,66)",AHDUXXXZGSWYHF-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,21687.871654417057,Organic compounds,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",Cyclic peptides,1.07,458382,68,68,AHDUXXXZGSWYHF,http://masst-records.gnps2.org/masst_records/library_table/68.blob?_blob_column=fp_pattern,844,http://masst-records.gnps2.org/masst_records/library_table/68.blob?_blob_column=fp_morgan,94
69,69,CCMSLIB00000001615,,[M+H]1+,isolated,Pacificanone A,323.258,322.250794948,1,positive,CCC1CC(C)C(O)(C=CC(C)=CC(C)C(O)CC)C(C)C1=O,"InChI=1S/C20H34O3/c1-7-17-12-15(5)20(23,16(6)19(17)22)10-9-13(3)11-14(4)18(21)8-2/h9-11,14-18,21,23H,7-8,12H2,1-6H3",JSPPQWVTDRBUIB-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.2244135760268885,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,2.06,154901,69,69,JSPPQWVTDRBUIB,http://masst-records.gnps2.org/masst_records/library_table/69.blob?_blob_column=fp_pattern,342,http://masst-records.gnps2.org/masst_records/library_table/69.blob?_blob_column=fp_morgan,45
70,70,CCMSLIB00000001616,,[M+Na]1+,isolated,Pacificanone A,345.24,322.250794948,1,positive,CCC1CC(C)C(O)(C=CC(C)=CC(C)C(O)CC)C(C)C1=O,"InChI=1S/C20H34O3/c1-7-17-12-15(5)20(23,16(6)19(17)22)10-9-13(3)11-14(4)18(21)8-2/h9-11,14-18,21,23H,7-8,12H2,1-6H3",JSPPQWVTDRBUIB-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.0486368881201148,Organic compounds,Lipids and lipid-like molecules,Fatty Acyls,Fatty alcohols,Fatty alcohols,2.06,193122,70,70,JSPPQWVTDRBUIB,http://masst-records.gnps2.org/masst_records/library_table/70.blob?_blob_column=fp_pattern,342,http://masst-records.gnps2.org/masst_records/library_table/70.blob?_blob_column=fp_morgan,45
71,71,CCMSLIB00000001617,,[M+H]1+,isolated,Piperazimycin A,727.32,726.310367384,1,positive,CC(C)C=CC=CCC1NC(=O)C2CC(O)CNN2C(=O)COC(=O)C(C)(CO)NC(=O)C2CC(O)CNN2C(=O)C2CC(Cl)CNN2C1=O,"InChI=1S/C31H47ClN8O10/c1-17(2)7-5-4-6-8-21-28(47)40-24(9-18(32)12-33-40)29(48)39-23(11-20(43)14-35-39)27(46)37-31(3,16-41)30(49)50-15-25(44)38-22(26(45)36-21)10-19(42)13-34-38/h4-7,17-24,33-35,41-43H,8-16H2,1-3H3,(H,36,45)(H,37,46)",OHBCWVJHZZYAHJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,3.237978916502562,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.94,427184,71,71,OHBCWVJHZZYAHJ,http://masst-records.gnps2.org/masst_records/library_table/71.blob?_blob_column=fp_pattern,714,http://masst-records.gnps2.org/masst_records/library_table/71.blob?_blob_column=fp_morgan,72
72,72,CCMSLIB00000001618,,[M+Na]1+,isolated,Piperazimycin A,749.288,726.310367384,1,positive,CC(C)C=CC=CCC1NC(=O)C2CC(O)CNN2C(=O)COC(=O)C(C)(CO)NC(=O)C2CC(O)CNN2C(=O)C2CC(Cl)CNN2C1=O,"InChI=1S/C31H47ClN8O10/c1-17(2)7-5-4-6-8-21-28(47)40-24(9-18(32)12-33-40)29(48)39-23(11-20(43)14-35-39)27(46)37-31(3,16-41)30(49)50-15-25(44)38-22(26(45)36-21)10-19(42)13-34-38/h4-7,17-24,33-35,41-43H,8-16H2,1-3H3,(H,36,45)(H,37,46)",OHBCWVJHZZYAHJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,15.46672234565194,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.94,430757,72,72,OHBCWVJHZZYAHJ,http://masst-records.gnps2.org/masst_records/library_table/72.blob?_blob_column=fp_pattern,714,http://masst-records.gnps2.org/masst_records/library_table/72.blob?_blob_column=fp_morgan,72
73,73,CCMSLIB00000001619,,[M+H]1+,isolated,Actinoquinolone A,404.131,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,263243,73,73,,,,,
74,74,CCMSLIB00000001620,,[M+Na]1+,isolated,Actinoquinolone A,426.202,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,285149,74,74,,,,,
75,75,CCMSLIB00000001621,,[M+H]1+,isolated,Desferrioxamine E,601.358,600.348277116,1,positive,O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1,"InChI=1S/C27H48N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36)",NHKCCADZVLTPPO-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,4.062500248867478,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,,Macrolactams,0.12,397597,75,75,NHKCCADZVLTPPO,http://masst-records.gnps2.org/masst_records/library_table/75.blob?_blob_column=fp_pattern,351,http://masst-records.gnps2.org/masst_records/library_table/75.blob?_blob_column=fp_morgan,26
76,76,CCMSLIB00000001622,,[M+Na]1+,isolated,Desferrioxamine E,623.339,600.348277116,1,positive,O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1,"InChI=1S/C27H48N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36)",NHKCCADZVLTPPO-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,2.4044104469992105,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,,Macrolactams,0.12,405304,76,76,NHKCCADZVLTPPO,http://masst-records.gnps2.org/masst_records/library_table/76.blob?_blob_column=fp_pattern,351,http://masst-records.gnps2.org/masst_records/library_table/76.blob?_blob_column=fp_morgan,26
77,77,CCMSLIB00000001623,,[M+H]1+,isolated,Marineosin A,410.282,409.27292736,1,positive,COC1CC(c2ccc[nH]2)=NC12OC(C)CC1CCCCCCCc3ccc([nH]3)C12,"InChI=1S/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3",JPTGQNMDWMSVSF-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,4.37609316742372,Organic compounds,Organoheterocyclic compounds,Oxanes,,Oxanes,0.51,269445,77,77,JPTGQNMDWMSVSF,http://masst-records.gnps2.org/masst_records/library_table/77.blob?_blob_column=fp_pattern,700,http://masst-records.gnps2.org/masst_records/library_table/77.blob?_blob_column=fp_morgan,60
78,78,CCMSLIB00000001624,,[M+Na]1+,isolated,Marineosin A,432.264,409.27292736,1,positive,COC1CC(c2ccc[nH]2)=NC12OC(C)CC1CCCCCCCc3ccc([nH]3)C12,"InChI=1S/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3",JPTGQNMDWMSVSF-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,4.282532035329737,Organic compounds,Organoheterocyclic compounds,Oxanes,,Oxanes,0.51,291431,78,78,JPTGQNMDWMSVSF,http://masst-records.gnps2.org/masst_records/library_table/78.blob?_blob_column=fp_pattern,700,http://masst-records.gnps2.org/masst_records/library_table/78.blob?_blob_column=fp_morgan,60
79,79,CCMSLIB00000001625,,[M+H]1+,isolated,Marineosin B,410.282,409.27292736,1,positive,COC1CC(c2ccc[nH]2)=NC12OC(C)CC1CCCCCCCc3ccc([nH]3)C12,"InChI=1S/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3",JPTGQNMDWMSVSF-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,4.37609316742372,Organic compounds,Organoheterocyclic compounds,Oxanes,,Oxanes,0.51,269446,79,79,JPTGQNMDWMSVSF,http://masst-records.gnps2.org/masst_records/library_table/79.blob?_blob_column=fp_pattern,700,http://masst-records.gnps2.org/masst_records/library_table/79.blob?_blob_column=fp_morgan,60
80,80,CCMSLIB00000001626,,[M+2Na]2+,isolated,Lyngbyabellin A,736.0,690.17154698,2,positive,CCC(C)C1NC(=O)CNC(=O)c2csc(n2)C(C(C)(C)O)OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2,"InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)",VJSNPXXBMRWPEJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,999592.5132380188,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.89,464931,80,80,VJSNPXXBMRWPEJ,http://masst-records.gnps2.org/masst_records/library_table/80.blob?_blob_column=fp_pattern,680,http://masst-records.gnps2.org/masst_records/library_table/80.blob?_blob_column=fp_morgan,74
81,81,CCMSLIB00000001627,,[M+H]1+,isolated,Sagitol B (Putative Analogue) ,419.155,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,279360,81,81,,,,,
82,82,CCMSLIB00000001628,,[M+H]1+,isolated,Lyngbyabellin A,738.0,690.17154698,1,positive,CCC(C)C1NC(=O)CNC(=O)c2csc(n2)C(C(C)(C)O)OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2,"InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)",VJSNPXXBMRWPEJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,67741.0502984344,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.89,428751,82,82,VJSNPXXBMRWPEJ,http://masst-records.gnps2.org/masst_records/library_table/82.blob?_blob_column=fp_pattern,680,http://masst-records.gnps2.org/masst_records/library_table/82.blob?_blob_column=fp_morgan,74
83,83,CCMSLIB00000001629,,[M+Na]1+,isolated,Sagitol B (Putative Analogue),441.137,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,301025,83,83,,,,,
84,84,CCMSLIB00000001630,,[M+H]1+,isolated,Lyngbyabellin A,693.0,690.17154698,1,positive,CCC(C)C1NC(=O)CNC(=O)c2csc(n2)C(C(C)(C)O)OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2,"InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)",VJSNPXXBMRWPEJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,2634.888694871331,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.89,421779,84,84,VJSNPXXBMRWPEJ,http://masst-records.gnps2.org/masst_records/library_table/84.blob?_blob_column=fp_pattern,680,http://masst-records.gnps2.org/masst_records/library_table/84.blob?_blob_column=fp_morgan,74
85,85,CCMSLIB00000001631,,[M+H]1+,isolated,Etamycin,879.461,878.453804804,1,positive,CC(C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)N(C)C(=O)CN(C)C(=O)C2CC(O)CN2C1=O,"InChI=1S/C44H62N8O11/c1-23(2)19-30-42(60)52-21-29(53)20-31(52)43(61)49(8)22-33(55)50(9)36(25(5)24(3)4)40(58)46-26(6)41(59)51(10)37(28-15-12-11-13-16-28)44(62)63-27(7)34(38(56)47-30)48-39(57)35-32(54)17-14-18-45-35/h11-18,23-27,29-31,34,36-37,53-54H,19-22H2,1-10H3,(H,46,58)(H,47,56)(H,48,57)",SATIISJKSAELDC-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.0971530195405934,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.59,448548,85,85,SATIISJKSAELDC,http://masst-records.gnps2.org/masst_records/library_table/85.blob?_blob_column=fp_pattern,807,http://masst-records.gnps2.org/masst_records/library_table/85.blob?_blob_column=fp_morgan,94
86,86,CCMSLIB00000001632,,[M+H]1+,isolated,Lyngbyabellin A,715.0,690.17154698,1,positive,CCC(C)C1NC(=O)CNC(=O)c2csc(n2)C(C(C)(C)O)OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2,"InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)",VJSNPXXBMRWPEJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,34464.56770105772,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.89,425122,86,86,VJSNPXXBMRWPEJ,http://masst-records.gnps2.org/masst_records/library_table/86.blob?_blob_column=fp_pattern,680,http://masst-records.gnps2.org/masst_records/library_table/86.blob?_blob_column=fp_morgan,74
87,87,CCMSLIB00000001633,,[M+Na]1+,isolated,Etamycin,901.443,878.453804804,1,positive,CC(C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)N(C)C(=O)CN(C)C(=O)C2CC(O)CN2C1=O,"InChI=1S/C44H62N8O11/c1-23(2)19-30-42(60)52-21-29(53)20-31(52)43(61)49(8)22-33(55)50(9)36(25(5)24(3)4)40(58)46-26(6)41(59)51(10)37(28-15-12-11-13-16-28)44(62)63-27(7)34(38(56)47-30)48-39(57)35-32(54)17-14-18-45-35/h11-18,23-27,29-31,34,36-37,53-54H,19-22H2,1-10H3,(H,46,58)(H,47,56)(H,48,57)",SATIISJKSAELDC-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.0329363021474038,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,0.59,450601,87,87,SATIISJKSAELDC,http://masst-records.gnps2.org/masst_records/library_table/87.blob?_blob_column=fp_pattern,807,http://masst-records.gnps2.org/masst_records/library_table/87.blob?_blob_column=fp_morgan,94
88,88,CCMSLIB00000001634,,[M+H]1+,isolated,Lyngbyabellin A,691.0,690.17154698,1,positive,CCC(C)C1NC(=O)CNC(=O)c2csc(n2)C(C(C)(C)O)OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2,"InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)",VJSNPXXBMRWPEJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,258.7184875092499,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.89,421498,88,88,VJSNPXXBMRWPEJ,http://masst-records.gnps2.org/masst_records/library_table/88.blob?_blob_column=fp_pattern,680,http://masst-records.gnps2.org/masst_records/library_table/88.blob?_blob_column=fp_morgan,74
89,89,CCMSLIB00000001635,,[M+H]1+,isolated,Rifamycin W,656.306,655.2992612600001,1,positive,C=C1C=C(CO)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)=CC=CC(C)C(=O)Nc2cc(O)c3c(c(O)c(C)c(O)c3c2O)C1=O,"InChI=1S/C35H45NO11/c1-14-9-8-10-15(2)35(47)36-22-12-23(38)24-25(32(44)20(7)33(45)26(24)34(22)46)28(40)16(3)11-21(13-37)31(43)19(6)30(42)18(5)29(41)17(4)27(14)39/h8-12,15,17-19,27,29-31,37-39,41-46H,3,13H2,1-2,4-7H3,(H,36,47)",PJJBEUPFNRRJRL-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.8256760605066484,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,,Macrolactams,1.62,415023,89,89,PJJBEUPFNRRJRL,http://masst-records.gnps2.org/masst_records/library_table/89.blob?_blob_column=fp_pattern,757,http://masst-records.gnps2.org/masst_records/library_table/89.blob?_blob_column=fp_morgan,65
90,90,CCMSLIB00000001636,,[M+Na]1+,isolated,Lyngbyabellin A,713.0,690.17154698,1,positive,CCC(C)C1NC(=O)CNC(=O)c2csc(n2)C(C(C)(C)O)OC(=O)C(C)(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc1n2,"InChI=1S/C29H40Cl2N4O7S2/c1-8-15(2)20-23-34-17(14-43-23)25(38)41-18(10-9-11-29(7,30)31)27(3,4)26(39)42-21(28(5,6)40)24-33-16(13-44-24)22(37)32-12-19(36)35-20/h13-15,18,20-21,40H,8-12H2,1-7H3,(H,32,37)(H,35,36)",VJSNPXXBMRWPEJ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,225.42601176738003,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.89,424902,90,90,VJSNPXXBMRWPEJ,http://masst-records.gnps2.org/masst_records/library_table/90.blob?_blob_column=fp_pattern,680,http://masst-records.gnps2.org/masst_records/library_table/90.blob?_blob_column=fp_morgan,74
91,91,CCMSLIB00000001637,,[M+Na]1+,isolated,Rifamycin W,678.29,655.2992612600001,1,positive,C=C1C=C(CO)C(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)=CC=CC(C)C(=O)Nc2cc(O)c3c(c(O)c(C)c(O)c3c2O)C1=O,"InChI=1S/C35H45NO11/c1-14-9-8-10-15(2)35(47)36-22-12-23(38)24-25(32(44)20(7)33(45)26(24)34(22)46)28(40)16(3)11-21(13-37)31(43)19(6)30(42)18(5)29(41)17(4)27(14)39/h8-12,15,17-19,27,29-31,37-39,41-46H,3,13H2,1-2,4-7H3,(H,36,47)",PJJBEUPFNRRJRL-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,2.2318755673868336,Organic compounds,Phenylpropanoids and polyketides,Macrolactams,,Macrolactams,1.62,419086,91,91,PJJBEUPFNRRJRL,http://masst-records.gnps2.org/masst_records/library_table/91.blob?_blob_column=fp_pattern,757,http://masst-records.gnps2.org/masst_records/library_table/91.blob?_blob_column=fp_morgan,65
92,92,CCMSLIB00000001638,,[M+H]1+,isolated,Antanapeptin A,737.4,736.44111488,1,positive,C#CCCCC1OC(=O)C(C(C)CC)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)OC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)NC(=O)C1C,"InChI=1S/C41H60N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h1,14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,2-10H3,(H,42,46)",HEWGADDUUGVTPF-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,65.62408769072962,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.42,428727,92,92,HEWGADDUUGVTPF,http://masst-records.gnps2.org/masst_records/library_table/92.blob?_blob_column=fp_pattern,661,http://masst-records.gnps2.org/masst_records/library_table/92.blob?_blob_column=fp_morgan,82
93,93,CCMSLIB00000001639,,[M+H]1+,isolated,8-Desoxyrifamycin W,640.312,,1,positive,,,,,qtof,ESI,,GNPS-LIBRARY,,,,,,,,411119,93,93,,,,,
94,94,CCMSLIB00000001640,,[M+Na]1+,isolated,Antanapeptin A,759.23,736.44111488,1,positive,C#CCCCC1OC(=O)C(C(C)CC)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)OC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)NC(=O)C1C,"InChI=1S/C41H60N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h1,14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,2-10H3,(H,42,46)",HEWGADDUUGVTPF-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,263.8011886153219,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.42,432045,94,94,HEWGADDUUGVTPF,http://masst-records.gnps2.org/masst_records/library_table/94.blob?_blob_column=fp_pattern,661,http://masst-records.gnps2.org/masst_records/library_table/94.blob?_blob_column=fp_morgan,82
95,95,CCMSLIB00000001641,,[M+H]1+,isolated,Saliniketal A,396.274,395.267173284,1,positive,CC(=CC=CC(C)C(N)=O)C(O)C(C)C(O)C(C)C1OC2(C)CCC(O2)C1C,"InChI=1S/C22H37NO5/c1-12(8-7-9-13(2)21(23)26)18(24)15(4)19(25)16(5)20-14(3)17-10-11-22(6,27-17)28-20/h7-9,13-20,24-25H,10-11H2,1-6H3,(H2,23,26)",ZCCRXBYKWLDBSD-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,1.139714655353392,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,2.57,255325,95,95,ZCCRXBYKWLDBSD,http://masst-records.gnps2.org/masst_records/library_table/95.blob?_blob_column=fp_pattern,441,http://masst-records.gnps2.org/masst_records/library_table/95.blob?_blob_column=fp_morgan,52
96,96,CCMSLIB00000001642,,[M+H]1+,isolated,Antanapeptin B,739.21,738.456764944,1,positive,C=CCCCC1OC(=O)C(C(C)CC)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)OC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)NC(=O)C1C,"InChI=1S/C41H62N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h11,14,16-17,19-20,25-28,30-35H,1,12-13,15,18,21-24H2,2-10H3,(H,42,46)",LZACOZXZESEOFK-UHFFFAOYSA-N,,ion trap,ESI,,GNPS-LIBRARY,343.5521229319907,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.54,428910,96,96,LZACOZXZESEOFK,http://masst-records.gnps2.org/masst_records/library_table/96.blob?_blob_column=fp_pattern,660,http://masst-records.gnps2.org/masst_records/library_table/96.blob?_blob_column=fp_morgan,82
97,97,CCMSLIB00000001643,,[M+Na]1+,isolated,Saliniketal A,418.256,395.267173284,1,positive,CC(=CC=CC(C)C(N)=O)C(O)C(C)C(O)C(C)C1OC2(C)CCC(O2)C1C,"InChI=1S/C22H37NO5/c1-12(8-7-9-13(2)21(23)26)18(24)15(4)19(25)16(5)20-14(3)17-10-11-22(6,27-17)28-20/h7-9,13-20,24-25H,10-11H2,1-6H3,(H2,23,26)",ZCCRXBYKWLDBSD-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.9465191781897504,Organic compounds,Lipids and lipid-like molecules,Prenol lipids,Sesquiterpenoids,Sesquiterpenoids,2.57,278022,97,97,ZCCRXBYKWLDBSD,http://masst-records.gnps2.org/masst_records/library_table/97.blob?_blob_column=fp_pattern,441,http://masst-records.gnps2.org/masst_records/library_table/97.blob?_blob_column=fp_morgan,52
98,98,CCMSLIB00000001644,,[M+H]1+,isolated,Dolastatin_10,785.23,784.492104896,1,positive,CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nccs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C,"InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)",OFDNQWIFNXBECV-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,342.9457005464546,Organic compounds,Organic acids and derivatives,Peptidomimetics,Hybrid peptides,Hybrid peptides,0.32,435775,98,98,OFDNQWIFNXBECV,http://masst-records.gnps2.org/masst_records/library_table/98.blob?_blob_column=fp_pattern,630,http://masst-records.gnps2.org/masst_records/library_table/98.blob?_blob_column=fp_morgan,89
99,99,CCMSLIB00000001645,,[M+H]1+,isolated,Enterocin,445.113,444.1056468399999,1,positive,COc1cc(C2C3(O)C(O)C4CC2(O)C(O)(C(=O)O4)C3C(=O)c2ccccc2)oc(=O)c1,"InChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3",CTBBEXWJRAPJIZ-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,0.1637919179349871,Organic compounds,Organic oxygen compounds,Organooxygen compounds,Carbonyl compounds,Alkyl-phenylketones,1.32,304143,99,99,CTBBEXWJRAPJIZ,http://masst-records.gnps2.org/masst_records/library_table/99.blob?_blob_column=fp_pattern,776,http://masst-records.gnps2.org/masst_records/library_table/99.blob?_blob_column=fp_morgan,56
100,100,CCMSLIB00000001646,,[M+H]1+,isolated,Dolastatin_12,969.29,968.59465538,1,positive,CCC(C)C1OC(=O)C(C)C(CC)NC(=O)C(C)N(C)C(=O)C(C)(C)C(=O)C(C)NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C(CC(C)C)N(C)C(=O)CNC1=O,"InChI=1S/C50H80N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-41H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)",MLDFWFKDAWCBSV-UHFFFAOYSA-N,,qtof,ESI,,GNPS-LIBRARY,321.7155499713646,Organic compounds,Organic acids and derivatives,Peptidomimetics,Depsipeptides,Cyclic depsipeptides,1.15,455758,100,100,MLDFWFKDAWCBSV,http://masst-records.gnps2.org/masst_records/library_table/100.blob?_blob_column=fp_pattern,799,http://masst-records.gnps2.org/masst_records/library_table/100.blob?_blob_column=fp_morgan,85