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• (1R,3'S,4S,6R,7R,17R)-7-hydroxy-3',6,7-trimethyl-14-oxidospiro[2,9-dioxa-14-a... Molecule

  InChIKey	NKRQJWQYBNTAEV-SAJQNFQWSA-N
  Molecular Formula	C18H25NO7

  

  
  

  Related Dataset(s)

  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Jacobine N-oxide; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+

• (1R,3'S,4S,6R,7R,17R)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricycl... Molecule

  InChIKey	IAPHXJRHXBQDQJ-WKMWQDDRSA-N
  Molecular Formula	C18H25NO6

  

  
  

  Related Dataset(s)

  • Jacobine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Jacobine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+

• Chaetoglobosin A; 50335-03-0; 73AYL68TNX; (1R,3E,6R,7E,9S,11E,13R,14S,16R,17S... Molecule

  InChIKey	OUMWCYMRLMEZJH-VOXRAUTJSA-N
  Molecular Formula	C32H36N2O5

  

  
  

  Related Dataset(s)

  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
  • Chaetoglobosin A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

• (1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid Molecule

  InChIKey	JDFOIACPOPEQLS-XCBNKYQSSA-N
  Molecular Formula	C10H18O2

  

  
  

  Related Dataset(s)

  • D-CAMPHOLIC ACID; EI-B; MS

• (1R,3R,3aR,6aS)-2-methyl-5-(4-methylphenyl)-4,6-dioxo-3-phenyl-1,3,3a,6a-tetr... Molecule

  InChIKey	JCGYPVYGWLSUNO-MANSERQUSA-N
  Molecular Formula	C21H19N3O2

  

  
  

  Related Dataset(s)

  • 4-CYANO-5-METHYL-6-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-CIS); EI-B; MS

• (1R,3R,4R,6S)-6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxocyclohexane-1-c... Molecule

  InChIKey	MHZVWXOKIRZLCJ-XZQMCIKJSA-N
  Molecular Formula	C14H20O4

  

  
  

  Related Dataset(s)

  • Frequentin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Frequentin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Frequentin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • Frequentin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
  • Frequentin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

• (1R,3R,4R,7R,8E,11S,12S)-7-hydroxy-1,4-dimethyl-6-oxo-12-prop-1-en-2-yltricyc... Molecule

  InChIKey	QXVAWAHULUVLPT-FHIBGDQLSA-N
  Molecular Formula	C20H28O3

  

  
  

  Related Dataset(s)

  • Traversianal; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • Traversianal; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Traversianal; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Traversianal; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
  • Traversianal; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

• (1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid Molecule

  InChIKey	WVMWZWGZRAXUBK-SYTVJDICSA-N
  Molecular Formula	C7H10O6

  

  
  

  Related Dataset(s)

  • 5-Dehydroquinic acid; GC-EI-TOF; MS; n TMS; RT:719.580 sec
  • 5-Dehydroquinic acid; EI-B; MS; n TMS; RT: 779.12 s

• (1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihyd... Molecule

  InChIKey	YDDUMTOHNYZQPO-RVXRWRFUSA-N
  Molecular Formula	C25H24O12

  

  
  

  Related Dataset(s)

  • Cynarine; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
  • Cynarine; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
  • Cynarine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
  • Cynarine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
  • Cynarine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
  • Cynarine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
  • Cynarine; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
  • Cynarine; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
  • 1,3-Dicaffeoylquinic acid; LC-ESI-QQ; MS2
  • Cynarine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
  • 1,5-Dicaffeoylquinic acid; LC-ESI-QQ; MS2
  • Cynarine; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV

• (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy... Molecule

  InChIKey	CWVRJTMFETXNAD-NXLLHMKUSA-N
  Molecular Formula	C16H18O9

  

  
  

  Related Dataset(s)

  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
  • Neochlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

• (1R,3R,5S,8Z,12S,13R)-12-hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatr... Molecule

  InChIKey	FONRUOAYELOHDC-PVYSAULZSA-N
  Molecular Formula	C20H30O4

  

  
  

  Related Dataset(s)

  • 11-EPI-SINULARIOLIDE; EI-B; MS

• (1R,3R,6R,7S,8S,10R,11R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-m... Molecule

  InChIKey	SQOJOAFXDQDRGF-MMQTXUMRSA-N
  Molecular Formula	C20H24O10

  

  
  

  Related Dataset(s)

  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Ginkgolide B; LC-ESI-QQQ; MS; [M+H]+
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Ginkgolide B; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Ginkgolide B; LC-ESI-QTOF; MS2
  • Ginkgolide B; LC-ESI-QTOF; MS2

• ISORORIDIN E; NSC267693; 64726-84-7 Molecule

  InChIKey	KEEQQEKLEZRLDS-JULYGXFESA-N
  Molecular Formula	C29H38O8

  

  
  

  Related Dataset(s)

  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • iso-Roridine E; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+

• (1R,3R,8R,12E,18E,20E,24R,25S,26S)-5,13,25-trimethylspiro[2,10,16,23-tetraoxa... Molecule

  InChIKey	GXCGYHWSYNQVHU-UGAPSZEOSA-N
  Molecular Formula	C27H32O8

  

  
  

  Related Dataset(s)

  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Verrucarin J; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+

• (1R,3R,8R,12S,13R,17R,18E,20Z,24R,25S,26S)-12-hydroxy-17-[(1R)-1-hydroxyethyl... Molecule

  InChIKey	NSFWWJIQIKBZMJ-PAGWOCKZSA-N
  Molecular Formula	C29H40O9

  

  
  

  Related Dataset(s)

  • Roridin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
  • Roridin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+

• (1R,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione Molecule

  InChIKey	IAJIIJBMBCZPSW-DTWKUNHWSA-N
  Molecular Formula	C16H16O4

  

  
  

  Related Dataset(s)

  • Eleutherin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
  • Eleutherin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
  • Eleutherin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
  • Eleutherin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
  • Eleutherin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

• (1R,3S,3aR,6aS)-2-methyl-5-(4-methylphenyl)-4,6-dioxo-3-phenyl-1,3,3a,6a-tetr... Molecule

  InChIKey	JCGYPVYGWLSUNO-WJFTUGDTSA-N
  Molecular Formula	C21H19N3O2

  

  
  

  Related Dataset(s)

  • 4-CYANO-5-METHYL-6-PHENYL-2-(PARA-TOLYL)PERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE (3A,4-TRANS-6,6A-TRANS); EI-B; MS

• (1R,3S,4S,5S)-4-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-1,5-dimethylcyclopent... Molecule

  InChIKey	PEQRNFISRBKXOW-BTFPBAQTSA-N

  

  
  

  Related Dataset(s)

  • 10-Cycloneren-3,5,7-triol[1]
  • 10-Cycloneren-3,5,7-triol[2]

• (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methy... Molecule

  InChIKey	UNFWWIHTNXNPBV-WXKVUWSESA-N
  Molecular Formula	C14H24N2O7

  

  
  

  Related Dataset(s)

  • Specitinomycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
  • Specitinomycin; LC-ESI-IT; MS3; m/z: 333/189; [M+H]+
  • Specitinomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
  • Specitinomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
  • Specitinomycin; LC-ESI-IT; MS2; m/z: 333; [M+H]+
  • Specitinomycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
  • Specitinomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
  • Specitinomycin; LC-ESI-IT; MS3; m/z: 333/140; [M+H]+

• (1R,3S,5S,8E,12S,13R)-12-hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatr... Molecule

  InChIKey	FONRUOAYELOHDC-ZOOQSLMQSA-N
  Molecular Formula	C20H30O4

  

  
  

  Related Dataset(s)

  • SINULARIOLIDE; EI-B; MS

You can also access this registry using the API (see API Docs).