Itaconic acid

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Systematic / IUPAC Name: 2-Methylenesuccinic acid

ID: Reference1306

Other Names: Butanedioic acid, methylene-;
Propylenedicarboxylic acid;
Succinic acid, methylene-;
2-Propene-1,2-dicarboxylic acid;
2-Methylidenebutanedioic acid ; more

Formula: C5H6O4

Class: Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 173
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 7/31/2024 1:25:41 PM
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Identificators

InChI InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChI Key LVHBHZANLOWSRM-UHFFFAOYSA-N
Canonical SMILES C=C(CC(=O)O)C(=O)O
CAS 144368218
Splash
Other Names Butanedioic acid, methylene-;
Propylenedicarboxylic acid;
Succinic acid, methylene-;
2-Propene-1,2-dicarboxylic acid;
2-Methylidenebutanedioic acid;
Butanedioic acid, 2-methylene-;
3-Carboxy-3-butenoic acid;
Itaconate

In Other Databases

PubChem 811
ChEMBL CHEMBL359159
KEGG C00490
HMDb HMDB02092
ChEBI CHEBI:30838
ChemIDPlus 000097654; 005363699; 025711266; 025948338; 025119704; 026102567; 026124801; 026713542; 026745197; 030174675
ChemSpider 789
Wikipedia Itaconic_acid