Dataset

Methandrostenolone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100106_EF88 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_N100106_EF88
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:58.241437
MetadataModified 2024-01-11T09:29:58.427493
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
METHANDROSTENOLONE rxnorm
NEQQEH CCDC
J5.252C Nikkaji
1734 DrugCentral
ZINC000003875469 ZINC
LMST02020013 LipidMaps
DTXSID2023276 EPA CompTox Dashboard
6810 ChEBI
CHEMBL1418176 ChEMBL
29537664 eMolecules
520782 eMolecules
DB13586 DrugBank
CB0502711 ChemicalBook
CB7113183 ChemicalBook
HMDB0041925 Human Metabolome Database
PD014157 ProbesDrugs
COZ1R7EOCC FDA SRS
72-63-9 ACToR
14873807 PubChem: Thomson Pharma
MCULE-1812806265 Mcule
6300 PubChem
SCHEMBL140928 SureChEMBL
The data in this table is sourced from UniChem at EBI.