Dataset

Methandrostenolone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100119_CC60 contains the MS2 mass spectrum of Methandrostenolone with the InChIkey XWALNWXLMVGSFR-HLXURNFRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C
InChI Key XWALNWXLMVGSFR-HLXURNFRSA-N
Molecular Formula C20H28O2
Exact Mass 300.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N100119_CC60
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:45.635621
MetadataModified 2024-01-11T09:30:45.823769
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
520782 eMolecules
29537664 eMolecules
CHEMBL1418176 ChEMBL
METHANDROSTENOLONE rxnorm
LMST02020013 LipidMaps
1734 DrugCentral
6810 ChEBI
ZINC000003875469 ZINC
DTXSID2023276 EPA CompTox Dashboard
CB7113183 ChemicalBook
CB0502711 ChemicalBook
HMDB0041925 Human Metabolome Database
DB13586 DrugBank
J5.252C Nikkaji
NEQQEH CCDC
6300 PubChem
SCHEMBL140928 SureChEMBL
MCULE-1812806265 Mcule
PD014157 ProbesDrugs
14873807 PubChem: Thomson Pharma
72-63-9 ACToR
COZ1R7EOCC FDA SRS
The data in this table is sourced from UniChem at EBI.