Dataset

Norethisterone / norethindrone; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF415003 contains the MS2 mass spectrum of Norethisterone / norethindrone with the InChIkey VIKNJXKGJWUCNN-XGXHKTLJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
InChI Key VIKNJXKGJWUCNN-XGXHKTLJSA-N
Molecular Formula C20H26O2
Exact Mass 298.193 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-UFZ-UF415003
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00717 drugbank
    CHEBI:7627 chebi
    LMST02030097 lipidmaps
    NDR rcsb_pdb
    CHEMBL1162 chembl
    23390 surechembl
    6230 pubchem
    T18F433X4S fdasrs
    PD003185 probes_and_drugs
    NETIND CCDC
    HMDB0014855 hmdb
    Molport-002-507-131 molport
    1962 drugcentral
    50148732 bindingdb
    The data in this table is sourced from UniChem at EBI.