Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C48H30N6/c1-4-10-43-37(7-1)40(31-13-19-49-20-14-31)28-46(52-43)34-25-35(47-29-41(32-15-21-50-22-16-32)38-8-2-5-11-44(38)53-47)27-36(26-34)48-30-42(33-17-23-51-24-18-33)39-9-3-6-12-45(39)54-48/h1-30H
SMILES n1ccc(cc1)c1cc(nc2c1cccc2)c1cc(cc(c1)c1nc2ccccc2c(c1)c1ccncc1)c1nc2ccccc2c(c1)c1ccncc1
InChI Key JTRLIYPGUAYPND-UHFFFAOYSA-N
Molecular Formula C48H30N6
Exact Mass 690.792 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JTRLIYPGUAYPND-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/JTRLIYPGUAYPND-UHFFFAOYSA-N/CHMO0000563
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-03
Related Molecule
  • 2-[3,5-bis(4-pyridin-4-ylquinolin-2-yl)phenyl]-4-pyridin-4-ylquinoline
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL10057630 SureChEMBL
    68021335 PubChem
    J3.001.168F Nikkaji
    CB02717621 ChemicalBook
    The data in this table is sourced from UniChem at EBI.