Dataset

Viridicatumtoxin; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H]-

This MassBank record with Accession MSBNK-AAFC-AC000766 contains the MS2 mass spectrum of Viridicatumtoxin with the InChIkey FNSQKFOXORBCCC-WBWZXODPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1
SMILES CC1=CCCC([C@@]12CC3=C4[C@@H]([C@]5(CC(=O)C(=C([C@]5(C(=O)C4=C(C6=C3C2=C(C=C6O)OC)O)O)O)C(=O)N)O)O)(C)C
InChI Key FNSQKFOXORBCCC-WBWZXODPSA-N
Molecular Formula C30H31NO10
Exact Mass 565.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000766
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (3'S,4'S,6S,9'S)-3',4',8',9',12',14'-hexahydroxy-16'-methoxy-1,5,5-trimethyl-6',10'-dioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    54686377 PubChem
    70043932 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.