Dataset

N-ACETYLLEUCINE; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101801_EF88 contains the MS2 mass spectrum of N-ACETYLLEUCINE 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

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101801_EF88
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MetadataPublished 2021-12-14
Related Molecule
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    • 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
    HMDB0011756 hmdb
    Molport-001-792-394 molport
    The data in this table is sourced from UniChem at EBI.