Dataset

2,6-Xylidine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF414604 contains the MS2 mass spectrum of 2,6-Xylidine with the InChIkey UFFBMTHBGFGIHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
SMILES CC1=CC=CC(C)=C1N
InChI Key UFFBMTHBGFGIHF-UHFFFAOYSA-N
Molecular Formula C8H11N
Exact Mass 121.089 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-UFZ-UF414604
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 2,6-dimethylaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28738 chebi
    CHEMBL1340793 chembl
    106244 surechembl
    6896 pubchem
    4FT62OX08D fdasrs
    PD065540 probes_and_drugs
    CVMAMA CCDC
    207265 brenda
    233356 brenda
    233357 brenda
    HMDB0060677 hmdb
    Molport-000-871-481 molport
    The data in this table is sourced from UniChem at EBI.