Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C17H16N4/c1-11(2)18-16-13-8-4-3-7-12(13)15-17(20-16)21-10-6-5-9-14(21)19-15/h3-11H,1-2H3,(H,18,20)
SMILES CC(Nc1nc2c(c3c1cccc3)nc1n2cccc1)C
InChI Key NNQKMYYBCPGPGY-UHFFFAOYSA-N
Molecular Formula C17H16N4
Exact Mass 276.336 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NNQKMYYBCPGPGY-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/NNQKMYYBCPGPGY-UHFFFAOYSA-N/CHMO0000563
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-16
Related Molecule
  • N-propan-2-yl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-amine
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197174 PubChem
    The data in this table is sourced from UniChem at EBI.