Dataset

11-Deoxycortisol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103108_EF88 contains the MS2 mass spectrum of 11-Deoxycortisol with the InChIkey WHBHBVVOGNECLV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3
SMILES CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C
InChI Key WHBHBVVOGNECLV-UHFFFAOYSA-N
Molecular Formula C21H30O4
Exact Mass 346.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103108_EF88
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:51.491017
MetadataModified 2024-01-11T09:31:51.658243
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1218673 eMolecules
LSM-36903 LINCS
125417 ChEBI
PD002890 ProbesDrugs
601-05-8 ACToR
SCHEMBL13352414 SureChEMBL
227112 PubChem
HMDB0257139 Human Metabolome Database
MCULE-9765892541 Mcule
CHEMBL1705958 ChEMBL
SAM001246889 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.