Dataset

Gentisyl alcohol

This MassBank record with Accession MSBNK-AAFC-AC000722 contains the MS2 mass spectrum of Gentisyl alcohol with the InChIkey PUZSUVGRVHEUQO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2
SMILES C1=CC(=C(C=C1O)CO)O
InChI Key PUZSUVGRVHEUQO-UHFFFAOYSA-N
Molecular Formula C7H8O3
Exact Mass 140.047 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-AAFC-AC000722
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:21.548760
MetadataModified 2024-01-11T09:23:21.714307
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL448800 ChEMBL
C10792 KEGG Ligand
5325 Rhea
5325 ChEBI
ZINC000000900388 ZINC
DTXSID60197804 EPA CompTox Dashboard
188287 PubChem
MTBLC5325 Metabolights
15321484 PubChem: Thomson Pharma
495-08-9 ACToR
SCHEMBL829492 SureChEMBL
T8T2WY38GH FDA SRS
20204151 NMRShiftDB
J11.774I Nikkaji
The data in this table is sourced from UniChem at EBI.