Dataset

ABIETIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001059 contains the MS mass spectrum of ABIETIC ACID TRIMETHYLSILYL ESTER with the InChIkey RXWFRYPIQODUHW-KKSHJYNMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3/t19-,20+,22+,23+/m0/s1
SMILES CC(C)C(C3)=CC(=C2)C([H])(C3)C(C)(C1)C([H])(C2)C(C)(CC1)C(=O)O[Si](C)(C)C
InChI Key RXWFRYPIQODUHW-KKSHJYNMSA-N
Molecular Formula C23H38O2Si
Exact Mass 374.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001059
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • trimethylsilyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22295333 pubchem
    DTXSID801362093 comptox
    The data in this table is sourced from UniChem at EBI.