Dataset

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

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS097502 contains the MS2 mass spectrum of (2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, D-Alloisoleucine, (2R,3S)-2-Amino-3-methylvaleric acid 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-PS097502
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MetadataPublished 2009-02-09
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.