Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU280402 contains the MS2 mass spectrum of Androsterone with the InChIkey QGXBDMJGAMFCBF-HLUDHZFRSA-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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
InChI Key QGXBDMJGAMFCBF-HLUDHZFRSA-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-AU280402
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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
    14873373 PubChem: Thomson Pharma
    60020601 NMRShiftDB
    PD013295 ProbesDrugs
    14775715 PubChem: Thomson Pharma
    andrstrn Recon
    53-41-8 ACToR
    AOI PDBe
    C24W7J5D5R FDA SRS
    477822 eMolecules
    16628 Brenda
    ZINC000003861550 ZINC
    6235 Brenda
    MTBLC16032 Metabolights
    HMDB0000031 Human Metabolome Database
    16032 Rhea
    477 Brenda
    5879 PubChem
    SCHEMBL269981 SureChEMBL
    ANDROSTERONE rxnorm
    HY-N0933 MedChemExpress
    17639 BindingDB
    LMST02020001 LipidMaps
    J4.145I Nikkaji
    2394 Brenda
    ANDOON CCDC
    DTXSID3036525 EPA CompTox Dashboard
    4481 Brenda
    24529 Brenda
    C00523 KEGG Ligand
    CHEMBL87285 ChEMBL
    16032 ChEBI
    The data in this table is sourced from UniChem at EBI.