Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C30H21N9O6/c31-37-34-25-22(28(40)43-16-19-10-4-1-5-11-19)26(35-38-32)24(30(42)45-18-21-14-8-3-9-15-21)27(36-39-33)23(25)29(41)44-17-20-12-6-2-7-13-20/h1-15H,16-18H2
SMILES O=C(c1c(N=[N+]=[N-])c(C(=O)OCc2ccccc2)c(c(c1N=[N+]=[N-])C(=O)OCc1ccccc1)N=[N+]=[N-])OCc1ccccc1
InChI Key KOPNHBUFTQTRII-UHFFFAOYSA-N
Molecular Formula C30H21N9O6
Exact Mass 603.544 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KOPNHBUFTQTRII-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/KOPNHBUFTQTRII-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • tribenzyl 2,4,6-triazidobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407588 PubChem
    The data in this table is sourced from UniChem at EBI.