Dataset

N-ACETYL-L-ACOSAMINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005475 contains the MS mass spectrum of N-ACETYL-L-ACOSAMINE with the InChIkey KJUOTNQKCLKJFB-GEVIPFJHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H15NO4/c1-5(11)8(13)7(3-4-10)9-6(2)12/h4-5,7-8,11,13H,3H2,1-2H3,(H,9,12)/t5-,7-,8-/m0/s1
SMILES O=CCC([H])(NC(C)=O)C([H])(O)C([H])(C)O
InChI Key KJUOTNQKCLKJFB-GEVIPFJHSA-N
Molecular Formula C8H15NO4
Exact Mass 189.100 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-Fac_Eng_Univ_Tokyo-JP005475
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N-[(3S,4R,5S)-4,5-dihydroxy-1-oxohexan-3-yl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101323131 PubChem
    J187.490J Nikkaji
    The data in this table is sourced from UniChem at EBI.