Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF414601 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-UF414601
Version
Author
Maintainer
Language
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
    PD065540 ProbesDrugs
    4FT62OX08D FDA SRS
    15119853 PubChem: Thomson Pharma
    SCHEMBL106244 SureChEMBL
    87-62-7 ACToR
    501674 eMolecules
    6896 PubChem
    10023590 NMRShiftDB
    MCULE-6337132025 Mcule
    207265 Brenda
    HMDB0060677 Human Metabolome Database
    ZINC000000900692 ZINC
    MTBLC28738 Metabolights
    CB8327518 ChemicalBook
    C11004 KEGG Ligand
    CHEMBL1340793 ChEMBL
    28738 ChEBI
    233356 Brenda
    233357 Brenda
    CVMAMA CCDC
    J43.456F Nikkaji
    DTXSID8026307 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.