Dataset

15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-HBM4EU-HB004080 contains the MS2 mass spectrum of 15 Acetoxyscirpenol with the InChIkey IRXDUBNENLKYTC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
SMILES CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
InChI Key IRXDUBNENLKYTC-UHFFFAOYSA-N
Molecular Formula C17H24O6
Exact Mass 324.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-HBM4EU-HB004080
Version
Author
Maintainer
Language
MetadataPublished 2021-10-11
Related Molecule
  • (10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:175144 chebi
    CHEBI:201482 chebi
    429922 pubchem
    PD044464 probes_and_drugs
    HMDB0035848 hmdb
    The data in this table is sourced from UniChem at EBI.