Dataset

Oleanolic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00591 contains the MS2 mass spectrum of Oleanolic acid with the InChIkey MIJYXULNPSFWEK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)
SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
InChI Key MIJYXULNPSFWEK-UHFFFAOYSA-N
Molecular Formula C30H48O3
Exact Mass 456.360 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-BML00591
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    619166 PubChem
    MCULE-3143886740 Mcule
    6857215 eMolecules
    SCHEMBL13395360 SureChEMBL
    508-02-1 ACToR
    PD027196 ProbesDrugs
    60021663 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.