Dataset

Lithocholic acid; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81615 contains the MS mass spectrum of Lithocholic acid with the InChIkey SMEROWZSTRWXGI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)
SMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChI Key SMEROWZSTRWXGI-UHFFFAOYSA-N
Molecular Formula C24H40O3
Exact Mass 376.298 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-Washington_State_Univ-BML81615
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10009061 NMRShiftDB
    MCULE-1781204332 Mcule
    PD055983 ProbesDrugs
    SCHEMBL75701 SureChEMBL
    500165 PubChem
    The data in this table is sourced from UniChem at EBI.