Dataset

Lovastatin; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-HBM4EU-HB003990 contains the MS2 mass spectrum of Lovastatin with the InChIkey PCZOHLXUXFIOCF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3
SMILES CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
InChI Key PCZOHLXUXFIOCF-UHFFFAOYSA-N
Molecular Formula C24H36O5
Exact Mass 404.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-HBM4EU-HB003990
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Maintainer
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MetadataPublished 2021-10-11
Related Molecule
  • [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    803 rcsb_pdb
    CHEMBL3186637 chembl
    1130742 surechembl
    3962 pubchem
    2739 gtopdb
    PD065512 probes_and_drugs
    20381 brenda
    803 pdbe
    HMDB0248085 hmdb
    Molport-009-675-680 molport
    The data in this table is sourced from UniChem at EBI.