Isoleucine

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Systematic / IUPAC Name: 2-Amino-3-methylpentanoic acid

ID: Reference7

Other Names: DL-Isoleucine;
Isoleucine, DL-;
α-Amino-β-methylvaleric acid;
Ile

Formula: C6H13NO2

Class: Endogenous Metabolites

Spectral Data

Isoleucine 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 189
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/10/2016 9:43:03 AM
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Identificators

InChI InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
InChI Key AGPKZVBTJJNPAG-UHFFFAOYSA-N
Canonical SMILES CCC(C)C(C(=O)O)N
CAS 73325
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Other Names DL-Isoleucine;
Isoleucine, DL-;
α-Amino-β-methylvaleric acid;
Ile

In Other Databases

ChemSpider 769
PubChem 791
Wikipedia Isoleucine