Dataset

17alpha-Methyltestosterone; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU281601 contains the MS2 mass spectrum of 17alpha-Methyltestosterone with the InChIkey GCKMFJBGXUYNAG-HLXURNFRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30O2/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/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key GCKMFJBGXUYNAG-HLXURNFRSA-N
Molecular Formula C20H30O2
Exact Mass 302.225 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-AU281601
Version
Author
Maintainer
Language
MetadataPublished 2019-05-31
Related Molecule
  • (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C07198 KEGG Ligand
    CHEMBL1395 ChEMBL
    27436 ChEBI
    SAM001246682 NIH Clinical Collection
    METHYLTESTOSTERONE DailyMed
    METHYLTESTOSTERONE rxnorm
    METHITEST rxnorm
    TESTRED rxnorm
    17-METHYLTESTOSTERONE clinicaltrials
    METHYLTESTOSTERONE clinicaltrials
    METANDREN clinicaltrials
    VIRILON clinicaltrials
    TESTRED clinicaltrials
    ORETON clinicaltrials
    DTXSID1033664 EPA CompTox Dashboard
    LMST02020029 LipidMaps
    3356 DrugCentral
    6945 Guide to Pharmacology
    J1.385D Nikkaji
    SAZLAG CCDC
    50410531 BindingDB
    HMDB0015655 Human Metabolome Database
    CB4213510 ChemicalBook
    methyltestosterone DailyMed
    ZINC000003814422 ZINC
    55876 Brenda
    29309 Brenda
    SCHEMBL18657 SureChEMBL
    MCULE-5274452426 Mcule
    6010 PubChem
    260025 Brenda
    PD003096 ProbesDrugs
    methyltestosterone Atlas
    DB06710 DrugBank
    14800583 PubChem: Thomson Pharma
    LSM-5902 LINCS
    1300-17-0 ACToR
    14776222 PubChem: Thomson Pharma
    V9EFU16ZIF FDA SRS
    29533708 eMolecules
    30513091 eMolecules
    The data in this table is sourced from UniChem at EBI.