Dataset

Pravastatin; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016262 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(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O
InChI Key TUZYXOIXSAXUGO-UHFFFAOYSA-N
Molecular Formula C23H36O7
Exact Mass 424.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016262
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MetadataPublished 2023-11-10
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.