Dataset

Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS075408 contains the MS2 mass spectrum of Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid with the InChIkey HNEGQIOMVPPMNR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)
SMILES	CC(=CC(=O)O)C(=O)O
InChI Key	HNEGQIOMVPPMNR-UHFFFAOYSA-N
Molecular Formula	C5H6O4
Exact Mass	130.099 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-PS075408
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:08:03.077743
MetadataModified	2025-02-09T19:15:39.701460
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0245226	Human Metabolome Database
WOQBAF	CCDC
874	PubChem
PD040094	ProbesDrugs
SCHEMBL5894	SureChEMBL
The data in this table is sourced from UniChem at EBI.