Dataset

13-cis Retinoic acid

This MassBank record with Accession MSBNK-Eawag-EQ01098704 contains the MS2 mass spectrum of 13-cis Retinoic acid with the InChIkey SHGAZHPCJJPHSC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)
SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI Key SHGAZHPCJJPHSC-UHFFFAOYSA-N
Molecular Formula C20H28O2
Exact Mass 300.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01098704
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:00:55.206067
MetadataModified 2025-02-09T10:00:55.407377
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1235644 ChEMBL
26536 ChEBI
HMDB0244343 Human Metabolome Database
TUDSIU CCDC
MCULE-2591910021 Mcule
31231681 eMolecules
5538 PubChem
PD003380 ProbesDrugs
LSM-2135 LINCS
MTBLC26536 Metabolights
PA451746 PharmGKB
PA450128 PharmGKB
The data in this table is sourced from UniChem at EBI.