Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C13H11F2N5O/c1-8(21)20-7-10-6-19(17-13(10)16-18-20)5-9-2-11(14)4-12(15)3-9/h2-4,6H,5,7H2,1H3
SMILES Fc1cc(cc(c1)F)Cn1cc2c(n1)N=NN(C2)C(=O)C
InChI Key CEFFSZUXPZAWPN-UHFFFAOYSA-N
Molecular Formula C13H11F2N5O
Exact Mass 291.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CEFFSZUXPZAWPN-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/CEFFSZUXPZAWPN-UHFFFAOYSA-N/CHMO0000563
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-07-11
Related Molecule
  • 1-[6-[(3,5-difluorophenyl)methyl]-4H-pyrazolo[3,4-d]triazin-3-yl]ethanone
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155928544 PubChem
    The data in this table is sourced from UniChem at EBI.