Dataset

DL-Leucine; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81126 contains the MS mass spectrum of DL-Leucine with the InChIkey ROHFNLRQFUQHCH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
SMILES CC(C)CC(C(=O)O)N
InChI Key ROHFNLRQFUQHCH-UHFFFAOYSA-N
Molecular Formula C6H13NO2
Exact Mass 131.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81126
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-4-methylpentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:25017 chebi
    LMFA01100048 lipidmaps
    CHEMBL46575 chembl
    3888 surechembl
    5255803 pubchem
    857 pubchem
    1QSS9D5DR6 fdasrs
    3312 gtopdb
    PD098604 probes_and_drugs
    DLLEUC CCDC
    126785 brenda
    20253 brenda
    240752 brenda
    43092 brenda
    45498 brenda
    90931 brenda
    Molport-001-780-225 molport
    The data in this table is sourced from UniChem at EBI.