Dataset

Chaetoviridin A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000545 contains the MS2 mass spectrum of Chaetoviridin A with the InChIkey HWSQVPGTQUYLEQ-CCBHEJLASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12-,13+,23-/m0/s1
SMILES CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3(C(=C(C(=O)O3)C(=O)[C@@H](C)[C@@H](C)O)C2=CO1)C)Cl
InChI Key HWSQVPGTQUYLEQ-CCBHEJLASA-N
Molecular Formula C23H25ClO6
Exact Mass 432.134 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-AC000545
Version
Author
Maintainer
Language
MetadataPublished 2017-07-07
Related Molecule
  • (6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]furo[2,3-h]isochromene-6,8-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    128252-98-2 ACToR
    15501790 PubChem: Thomson Pharma
    60079609 NMRShiftDB
    6450533 PubChem
    MTBLC67610 Metabolights
    DTXSID80893270 EPA CompTox Dashboard
    67610 ChEBI
    J350.902H Nikkaji
    CHEMBL1802150 ChEMBL
    The data in this table is sourced from UniChem at EBI.