Dataset

3-Hydroxystanozolol; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002918 contains the MS mass spectrum of 3-Hydroxystanozolol with the InChIkey SWPAIUOYLTYQKK-YEZTZDHTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NNC5=O)C
InChI Key SWPAIUOYLTYQKK-YEZTZDHTSA-N
Molecular Formula C21H32N2O2
Exact Mass 344.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002918
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1S,2S,10S,13R,14S,17S,18S)-17-hydroxy-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icos-4(8)-en-5-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31226340 eMolecules
    J942.064I Nikkaji
    HMDB0006001 Human Metabolome Database
    J481.472J Nikkaji
    01AEG6W4Y9 FDA SRS
    DTXSID50558682 EPA CompTox Dashboard
    ZINC000038600322 ZINC
    56372384 PubChem: Thomson Pharma
    14299601 PubChem
    192613 ChEBI
    PD061119 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.