Methylmalonic acid

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Systematic / IUPAC Name: 2-Methylpropanedioic acid

ID: Reference1339

Other Names: 2-Methylmalonic acid;
Propanedioic acid, methyl-;
Malonic acid, methyl-;
1,1-Ethanedicarboxylic acid;
Methylpropanedioic acid ; more

Formula: C4H6O4

Class: Endogenous Metabolites

Spectral Data

Methylmalonic 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 226
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 9:24:58 AM
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Identificators

InChI InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChI Key ZIYVHBGGAOATLY-UHFFFAOYSA-N
Canonical SMILES CC(C(=O)O)C(=O)O
CAS 516052
Splash
Other Names 2-Methylmalonic acid;
Propanedioic acid, methyl-;
Malonic acid, methyl-;
1,1-Ethanedicarboxylic acid;
Methylpropanedioic acid;
Methylpropanedioate;
2-Methylmalonate;
α-Methylmalonic acid;
Isosuccinic acid

In Other Databases

PubChem 487
ChemIDPlus 000516052
ChemSpider 473
Wikipedia Methylmalonic acid
KEGG C02170
ChEMBL CHEMBL1232416
ChEBI CHEBI:30860
HMDb HMDB00202