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
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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
    HY-B1674 MedChemExpress
    1QSS9D5DR6 FDA SRS
    DLLEUC CCDC
    LMFA01100048 LipidMaps
    J1.285H Nikkaji
    240752 Brenda
    15297248 PubChem: Thomson Pharma
    25017 ChEBI
    CHEMBL46575 ChEMBL
    C16439 KEGG Ligand
    PA450197 PharmGKB
    126785 Brenda
    CB4365169 ChemicalBook
    MTBLC25017 Metabolights
    20253 Brenda
    45498 Brenda
    90931 Brenda
    43092 Brenda
    10016957 NMRShiftDB
    SCHEMBL3888 SureChEMBL
    MCULE-7657212416 Mcule
    25322-63-8 ACToR
    328-39-2 ACToR
    328-38-1 ACToR
    61-90-5 ACToR
    857 PubChem
    5255803 PubChem
    PD098604 ProbesDrugs
    499483 eMolecules
    The data in this table is sourced from UniChem at EBI.