Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Information

molecular Image
InChI InChI=1S/C24H20N4O2/c29-28(30)22-13-11-21(12-14-22)27-24(16-25-26-27)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2
SMILES [O-][N+](=O)c1ccc(cc1)n1nncc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key UMGYYTZDBFRYCM-UHFFFAOYSA-N
Molecular Formula C24H20N4O2
Exact Mass 396.441 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMGYYTZDBFRYCM-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/UMGYYTZDBFRYCM-UHFFFAOYSA-N/CHMO0000473
Version
Author Mirja Dinkel
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-11
Related Molecule
  • 1-(4-nitrophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    71615772 PubChem
    The data in this table is sourced from UniChem at EBI.