2-Methylhippuric acid

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Systematic / IUPAC Name: 2-[(2-Methylbenzoyl)amino]acetic acid

ID: Reference165

Other Names: N-(2-Methylbenzoyl)glycine;
o-Methylhippuric acid;
Glycine, N-(2-methylbenzoyl)-;
N-(Methylbenzoyl)glycine;
Glycine, N-(methylbenzoyl)- ; more

Formula: C10H11NO3

Class: Endogenous Metabolites

Spectral Data

2-Methylhippuric 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
No. of Spectral Trees 2
No. of Spectra 264
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/12/2014 2:52:39 PM
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Identificators

InChI InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI Key YOEBAVRJHRCKRE-UHFFFAOYSA-N
Canonical SMILES CC1=CC=CC=C1C(=O)NCC(=O)O
CAS 42013207
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Other Names N-(2-Methylbenzoyl)glycine;
o-Methylhippuric acid;
Glycine, N-(2-methylbenzoyl)-;
N-(Methylbenzoyl)glycine;
Glycine, N-(methylbenzoyl)-;
o-Toluric acid;
N-(o-Toluoyl)glycine

In Other Databases

ChemIDPlus 042013207; 066940327
ChemSpider 82742
ChEMBL CHEMBL457228
PubChem 91637
ChEBI CHEBI:68455
HMDb HMDB11723