Dataset

para-Hydroxyatorvastatin; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01156202 contains the MS2 mass spectrum of para-Hydroxyatorvastatin with the InChIkey SOZOATLLFFVAPM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)
SMILES CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O
InChI Key SOZOATLLFFVAPM-UHFFFAOYSA-N
Molecular Formula C33H35FN2O6
Exact Mass 574.248 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01156202
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MetadataPublished 2024-05-08
Related Molecule
  • 7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:168285 chebi
    5067255 surechembl
    3364535 pubchem
    7359 gtopdb
    PD024734 probes_and_drugs
    HMDB0061014 hmdb
    The data in this table is sourced from UniChem at EBI.