Dataset

allo-Ile, (2R,3S)-2-Amino-3-methylvaleric acid, (2R,3S)-2-amino-3-methylpentanoic acid, (2R,3S)-2-Amino-3-methylpentanoic acid, D-Alloisoleucine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT209750 contains the MS2 mass spectrum of allo-Ile, (2R,3S)-2-Amino-3-methylvaleric acid, (2R,3S)-2-amino-3-methylpentanoic acid, (2R,3S)-2-Amino-3-methylpentanoic acid, D-Alloisoleucine with the InChIkey AGPKZVBTJJNPAG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
SMILES CCC(C)C(C(=O)O)N
InChI Key AGPKZVBTJJNPAG-UHFFFAOYSA-N
Molecular Formula C6H13NO2
Exact Mass 131.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT209750
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MetadataPublished 2008-07-29
Related Molecule
  • 2-amino-3-methylpentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.