Dataset

Nandrolone

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100406_FB57 contains the MS2 mass spectrum of Nandrolone with the InChIkey NPAGDVCDWIYMMC-IZPLOLCNSA-N.

Chemical Info

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]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34
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-Antwerp_Univ-METOX_N100406_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:14.143254
MetadataModified 2024-01-11T09:32:14.301741
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SLM:000501177 SwissLipids
42617 Brenda
5459 Brenda
MTBLC7466 Metabolights
104355 Brenda
HMDB0002725 Human Metabolome Database
PA164746281 PharmGKB
24579 Brenda
7466 Rhea
CB5681525 ChemicalBook
511433 eMolecules
14771089 PubChem: Thomson Pharma
9904 PubChem
60059463 NMRShiftDB
PD003204 ProbesDrugs
6PG9VR430D FDA SRS
LSM-5630 LINCS
434-22-0 ACToR
257561 Brenda
SCHEMBL20140 SureChEMBL
C07254 KEGG Ligand
CHEMBL757 ChEMBL
SAM001246751 NIH Clinical Collection
7466 ChEBI
NANDROLONE DailyMed
225717 Brenda
NANDROLONE rxnorm
NANDROLONE clinicaltrials
50080092 BindingDB
J5.731B Nikkaji
6949 Guide to Pharmacology
NOTEST CCDC
DTXSID7023350 EPA CompTox Dashboard
MCULE-1657159254 Mcule
ZINC000003814379 ZINC
DB13169 DrugBank
1879 DrugCentral
LMST02010044 LipidMaps
6VW PDBe
The data in this table is sourced from UniChem at EBI.