Dataset

Norethisterone / norethindrone

This MassBank record with Accession MSBNK-UFZ-UF415003 contains the MS2 mass spectrum of Norethisterone / norethindrone with the InChIkey VIKNJXKGJWUCNN-XGXHKTLJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
InChI Key VIKNJXKGJWUCNN-XGXHKTLJSA-N
Molecular Formula C20H26O2
Exact Mass 298.193 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-UFZ-UF415003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:43:34.030382
MetadataModified 2025-02-09T19:48:01.194702
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0014855 Human Metabolome Database
ZINC000085205451 ZINC
norethindrone DailyMed
CB0455127 ChemicalBook
SCHEMBL23390 SureChEMBL
MCULE-9156628994 Mcule
14873691 PubChem: Thomson Pharma
PA450651 PharmGKB
6230 PubChem
14873694 PubChem: Thomson Pharma
norethindrone-norethisterone Selleck
68-22-4 ACToR
LSM-4061 LINCS
T18F433X4S FDA SRS
PD003185 ProbesDrugs
29541867 eMolecules
511539 eMolecules
DB00717 DrugBank
2880 Guide to Pharmacology
1962 DrugCentral
DTXSID9023380 EPA CompTox Dashboard
HY-B0554 MedChemExpress
CAMILA clinicaltrials
NORLUTIN clinicaltrials
NORETHISTERONE clinicaltrials
NORETHINDRONE clinicaltrials
NOR-QD clinicaltrials
MICRONOR clinicaltrials
COMBIPATCH rxnorm
FEMHRT rxnorm
NORETHINDRONE rxnorm
NORETHINDRONE DailyMed
LMST02030097 LipidMaps
50148732 BindingDB
NETIND CCDC
J1.416H Nikkaji
C05028 KEGG Ligand
NDR PDBe
CHEMBL1162 ChEMBL
7627 ChEBI
SAM002564223 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.