Dataset

Xylazine; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01058402 contains the MS2 mass spectrum of Xylazine with the InChIkey BPICBUSOMSTKRF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
SMILES CC1=C(C(=CC=C1)C)NC2=NCCCS2
InChI Key BPICBUSOMSTKRF-UHFFFAOYSA-N
Molecular Formula C12H16N2S
Exact Mass 220.103 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01058402
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MetadataPublished 2024-06-14
Related Molecule
  • N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11477 drugbank
    CHEBI:92386 chebi
    CHEMBL297362 chembl
    15487 surechembl
    5707 pubchem
    2KFG9TP5V8 fdasrs
    523 gtopdb
    PD001454 probes_and_drugs
    DMPHTZ CCDC
    HMDB0259938 hmdb
    DTXSID3040643 comptox
    5644 drugcentral
    50027069 bindingdb
    50225286 bindingdb
    The data in this table is sourced from UniChem at EBI.