Dataset

Urocanic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82313 contains the MS mass spectrum of Urocanic acid with the InChIkey LOIYMIARKYCTBW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)
SMILES C1=C(NC=N1)C=CC(=O)O
InChI Key LOIYMIARKYCTBW-UHFFFAOYSA-N
Molecular Formula C6H6N2O2
Exact Mass 138.043 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-Washington_State_Univ-BML82313
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:07.681160
MetadataModified 2024-01-11T22:28:07.825850
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0062562 Human Metabolome Database
MTBLC27248 Metabolights
1178 PubChem
PD034250 ProbesDrugs
UROCAN CCDC
MCULE-7002606160 Mcule
27248 ChEBI
The data in this table is sourced from UniChem at EBI.