Dataset

Pravastatin; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU234257 contains the MS2 mass spectrum of Pravastatin with the InChIkey TUZYXOIXSAXUGO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)
SMILES CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12
InChI Key TUZYXOIXSAXUGO-UHFFFAOYSA-N
Molecular Formula C23H36O7
Exact Mass 424.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU234257
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:94322 chebi
    CHEMBL1617336 chembl
    967719 surechembl
    4889 pubchem
    2953 gtopdb
    PD073727 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.