3-Methylcrotonylglycine

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Systematic / IUPAC Name: 2-(3-Methylbut-2-enoylamino)acetic acid

ID: Reference210

Other Names: β-Methylcrotonylglycine;
3-Methylcrotonyl glycine;
N-(3-Methyl-2-butenoyl)glycine;
N-(3-Methylbut-2-enoyl)glycine;
N-(3-Methyl-1-oxo-2-butenyl)glycine

Formula: C7H11NO3

Class: Endogenous Metabolites

Spectral Data

3-Methylcrotonylglycine 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 165
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2014 10:42:59 AM
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Identificators

InChI InChI=1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key PFWQSHXPNKRLIV-UHFFFAOYSA-N
Canonical SMILES CC(=CC(=O)NCC(=O)O)C
CAS 33008070
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Other Names β-Methylcrotonylglycine;
3-Methylcrotonyl glycine;
N-(3-Methyl-2-butenoyl)glycine;
N-(3-Methylbut-2-enoyl)glycine;
N-(3-Methyl-1-oxo-2-butenyl)glycine;
Glycine, N-(3-methyl-1-oxo-2-butenyl)-

In Other Databases

PubChem 169485
ChemSpider 148224; 21232150
ChemIDPlus 033008070
ChEBI CHEBI:68499
HMDb HMDB00459