Dataset

19-Nortestosterone; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311106934 contains the MS2 mass spectrum of 19-Nortestosterone with the InChIkey NPAGDVCDWIYMMC-IZPLOLCNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
InChI Key NPAGDVCDWIYMMC-IZPLOLCNSA-N
Molecular Formula C18H26O2
Exact Mass 274.193 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311106934
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Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C07254 KEGG Ligand
    CHEMBL757 ChEMBL
    SAM001246751 NIH Clinical Collection
    7466 ChEBI
    SLM:000501177 SwissLipids
    NANDROLONE DailyMed
    50080092 BindingDB
    NANDROLONE rxnorm
    NANDROLONE clinicaltrials
    MCULE-1657159254 Mcule
    DTXSID7023350 EPA CompTox Dashboard
    6VW PDBe
    DB13169 DrugBank
    LMST02010044 LipidMaps
    1879 DrugCentral
    J5.731B Nikkaji
    6949 Guide to Pharmacology
    NOTEST CCDC
    225717 Brenda
    14771089 PubChem: Thomson Pharma
    9904 PubChem
    60059463 NMRShiftDB
    PD003204 ProbesDrugs
    6PG9VR430D FDA SRS
    LSM-5630 LINCS
    434-22-0 ACToR
    257561 Brenda
    511433 eMolecules
    5459 Brenda
    42617 Brenda
    HMDB0002725 Human Metabolome Database
    PA164746281 PharmGKB
    7466 Rhea
    CB5681525 ChemicalBook
    ZINC000003814379 ZINC
    MTBLC7466 Metabolights
    104355 Brenda
    24579 Brenda
    SCHEMBL20140 SureChEMBL
    The data in this table is sourced from UniChem at EBI.