Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C15H15N9O6/c1-4-28-13(25)7-10(19-22-16)8(14(26)29-5-2)12(21-24-18)9(11(7)20-23-17)15(27)30-6-3/h4-6H2,1-3H3
SMILES CCOC(=O)c1c(N=[N+]=[N-])c(C(=O)OCC)c(c(c1N=[N+]=[N-])C(=O)OCC)N=[N+]=[N-]
InChI Key ZFITVFRKCNNFJG-UHFFFAOYSA-N
Molecular Formula C15H15N9O6
Exact Mass 417.336 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZFITVFRKCNNFJG-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ZFITVFRKCNNFJG-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • triethyl 2,4,6-triazidobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407582 PubChem
    The data in this table is sourced from UniChem at EBI.