Dataset

N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000247 contains the MS2 mass spectrum of N-Acetyl-L-Leucine with the InChIkey WXNXCEHXYPACJF-ZETCQYMHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
SMILES CC(C)C[C@H](NC(C)=O)C(O)=O
InChI Key WXNXCEHXYPACJF-ZETCQYMHSA-N
Molecular Formula C8H15NO3
Exact Mass 173.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000247
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MetadataPublished 2016-01-19
Related Molecule
  • (2S)-2-acetamido-4-methylpentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16956 drugbank
    CHEBI:17786 chebi
    LAY rcsb_pdb
    CHEMBL56021 chembl
    282372 surechembl
    70912 pubchem
    E915HL7K2O fdasrs
    PD001441 probes_and_drugs
    103259 brenda
    105357 brenda
    153792 brenda
    16378 brenda
    178084 brenda
    31554 brenda
    47385 brenda
    47790 brenda
    48051 brenda
    57225 brenda
    8146 brenda
    99974 brenda
    LAY pdbe
    HMDB0011756 hmdb
    DTXSID6045870 comptox
    NCT05163288 clinicaltrials
    Molport-001-792-394 molport
    The data in this table is sourced from UniChem at EBI.