Dataset

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

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101405_F638 contains the MS2 mass spectrum of N-ACETYLGALACTOSAMINE with the InChIkey OVRNDRQMDRJTHS-JAJWTYFOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
InChI Key OVRNDRQMDRJTHS-JAJWTYFOSA-N
Molecular Formula C8H15NO6
Exact Mass 221.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101405_F638
Version
Author
Maintainer
Language
MetadataPublished 2021-12-15
Related Molecule
  • N-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    244426 Brenda
    KM15WK8O5T FDA SRS
    440552 PubChem
    16484849 PubChem: Thomson Pharma
    37392 Brenda
    HMDB0000853 Human Metabolome Database
    203757 Brenda
    28497 Rhea
    ZINC000003861733 ZINC
    MTBLC28497 Metabolights
    108030 Brenda
    160965 Brenda
    81683 Brenda
    5367 Brenda
    SCHEMBL152744 SureChEMBL
    CHEMBL39064 ChEMBL
    28497 ChEBI
    C05021 KEGG Ligand
    NGA PDBe
    J1.797.265K Nikkaji
    229225 Brenda
    104484 Brenda
    47994 Brenda
    The data in this table is sourced from UniChem at EBI.