Dataset

Drospirenone; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU280802 contains the MS2 mass spectrum of Drospirenone with the InChIkey METQSPRSQINEEU-HXCATZOESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
SMILES [H][C@@]12[C@@H]3C[C@@H]3[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H]2C[C@H]2C2=CC(=O)CC[C@]12C
InChI Key METQSPRSQINEEU-HXCATZOESA-N
Molecular Formula C24H30O3
Exact Mass 366.219 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-AU280802
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Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • (1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    CHEMBL1509 chembl
    153316 surechembl
    68873 pubchem
    N295J34A25 fdasrs
    PD009518 probes_and_drugs
    XEZTON CCDC
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    HMDB0015467 hmdb
    DTXSID7046465 comptox
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    968 drugcentral
    150275 bindingdb
    The data in this table is sourced from UniChem at EBI.