Dataset

3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS047301 contains the MS2 mass spectrum of 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid with the InChIkey LOIYMIARKYCTBW-UHFFFAOYSA-N.

Chemical Info

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	138.126 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS047301
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:32.213149
MetadataModified	2024-01-11T21:06:32.385563
MetadataPublished	2009-02-09

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.