Dataset

Dehydroisoandrosterone-3-sulfate; GC-EI-TOF; MS; n TMS; RT:922.099 sec

This MassBank record with Accession MSBNK-Osaka_Univ-OUF00161 contains the MS mass spectrum of Dehydroisoandrosterone-3-sulfate with the InChIkey CZWCKYRVOZZJNM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)
SMILES OS(=O)(=O)OC(C4)CC(=C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1
InChI Key CZWCKYRVOZZJNM-UHFFFAOYSA-N
Molecular Formula C19H28O5S
Exact Mass 368.166 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Osaka_Univ-OUF00161
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MetadataPublished 2016-01-19
Related Molecule
  • (10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL141691 chembl
    12871723 surechembl
    5244 pubchem
    PD074434 probes_and_drugs
    HMDB0247812 hmdb
    The data in this table is sourced from UniChem at EBI.