Dataset

Dihydrotestosterone; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU280504 contains the MS2 mass spectrum of Dihydrotestosterone with the InChIkey NVKAWKQGWWIWPM-ABEVXSGRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
InChI Key NVKAWKQGWWIWPM-ABEVXSGRSA-N
Molecular Formula C19H30O2
Exact Mass 290.225 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-AU280504
Version
Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
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    ZINC000003814360 ZINC
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    105443 Brenda
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    MTBLC16330 Metabolights
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    13107 Brenda
    107938 Brenda
    2055 Brenda
    MCULE-5987413622 Mcule
    174924 Brenda
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    DB02901 DrugBank
    DTXSID9022364 EPA CompTox Dashboard
    3927 DrugCentral
    LMST02020042 LipidMaps
    2856 Guide to Pharmacology
    J39.503J Nikkaji
    HANDRO CCDC
    18161 BindingDB
    50366473 BindingDB
    3455 Guide to Pharmacology
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    The data in this table is sourced from UniChem at EBI.