Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU279802 contains the MS2 mass spectrum of 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-Athens_Univ-AU279802
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Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    SCHEMBL23390 SureChEMBL
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    68-22-4 ACToR
    LSM-4061 LINCS
    T18F433X4S FDA SRS
    PD003185 ProbesDrugs
    29541867 eMolecules
    511539 eMolecules
    DB00717 DrugBank
    2880 Guide to Pharmacology
    1962 DrugCentral
    DTXSID9023380 EPA CompTox Dashboard
    HY-B0554 MedChemExpress
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    MICRONOR clinicaltrials
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    LMST02030097 LipidMaps
    50148732 BindingDB
    NETIND CCDC
    J1.416H Nikkaji
    C05028 KEGG Ligand
    NDR PDBe
    CHEMBL1162 ChEMBL
    7627 ChEBI
    SAM002564223 NIH Clinical Collection
    The data in this table is sourced from UniChem at EBI.