Methylsuccinic acid

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Systematic / IUPAC Name: 2-Methylsuccinic acid

ID: Reference1337

Other Names: Methylsuccinic acid;
2-Methylbutanedioic acid;
Butanedioic acid, methyl-;
Succinic acid, methyl-;
1,2-Propanedicarboxylic acid ; more

Formula: C5H8O4

Class: Endogenous Metabolites

Spectral Data

Methylsuccinic 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 184
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 11:12:28 AM
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Identificators

InChI InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
InChI Key WXUAQHNMJWJLTG-UHFFFAOYSA-N
Canonical SMILES CC(CC(=O)O)C(=O)O
CAS 498215
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Other Names Methylsuccinic acid;
2-Methylbutanedioic acid;
Butanedioic acid, methyl-;
Succinic acid, methyl-;
1,2-Propanedicarboxylic acid;
Butanedioic acid, 2-methyl-;
Methylbutanedioic acid;
Pyrotartaric acid

In Other Databases

ChemSpider 9922
ChemIDPlus 000498215
HMDb HMDB01844
PubChem 10349