Dataset

ALPHA-PICOLINE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005290 contains the MS mass spectrum of ALPHA-PICOLINE with the InChIkey BSKHPKMHTQYZBB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
SMILES Cc(c1)nccc1
InChI Key BSKHPKMHTQYZBB-UHFFFAOYSA-N
Molecular Formula C6H7N
Exact Mass 93.058 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-JP005290
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-methylpyridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZZZHKQ CCDC
    DTXSID9021899 EPA CompTox Dashboard
    J5.087C Nikkaji
    CHEMBL15732 ChEMBL
    C14447 KEGG Ligand
    ZINC000038192546 ZINC
    32588 Brenda
    91119 Brenda
    146223 Brenda
    109443 Brenda
    CB3237870 ChemicalBook
    HMDB0061888 Human Metabolome Database
    SCHEMBL2684 SureChEMBL
    10008743 NMRShiftDB
    MCULE-3857746542 Mcule
    50415 ChEBI
    3716Q16Q6A FDA SRS
    52962-96-6 ACToR
    109-06-8 ACToR
    1333-41-1 ACToR
    7975 PubChem
    14867150 PubChem: Thomson Pharma
    478534 eMolecules
    The data in this table is sourced from UniChem at EBI.