Dataset

N-ACETYLLEUCINE; LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101801_F638 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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License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101801_F638
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MetadataPublished 2021-12-15
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.