Mesaconic acid

enlarge

Systematic / IUPAC Name: (2E)-2-Methyl-2-butenedioic acid

ID: Reference1535

Other Names: 2-Methylfumaric acid;
Fumaric acid, methyl-;
trans-2-Methyl-2-butenedioic acid;
2-Methylfumarate;
2-Butenedioic acid, 2-methyl-, (E)- ; more

Formula: C5H6O4

Class: Endogenous Metabolites

Spectral Data

Mesaconic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 122
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/25/2016 11:09:02 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChI Key HNEGQIOMVPPMNR-NSCUHMNNSA-N
Canonical SMILES CC(=CC(=O)O)C(=O)O
CAS 498248
Splash
Other Names 2-Methylfumaric acid;
Fumaric acid, methyl-;
trans-2-Methyl-2-butenedioic acid;
2-Methylfumarate;
2-Butenedioic acid, 2-methyl-, (E)-;
2-Methylbut-2-enedioic acid;
2-Butenedioic acid, 2-methyl-, (2E)-;
Methylfumarate;
(2E)-2-Methyl-2-butenedioate;
Mesaconate

In Other Databases

ChemSpider 10289044
KEGG C01732
ChEBI CHEBI:16600
Wikipedia Mesaconic acid
HMDb HMDB00749
PubChem 638129