Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H9N9O6/c1-25-10(22)4-7(16-19-13)5(11(23)26-2)9(18-21-15)6(12(24)27-3)8(4)17-20-14/h1-3H3
SMILES [N-]=[N+]=Nc1c(C(=O)OC)c(N=[N+]=[N-])c(c(c1C(=O)OC)N=[N+]=[N-])C(=O)OC
InChI Key DHWXSONNLZCPDN-UHFFFAOYSA-N
Molecular Formula C12H9N9O6
Exact Mass 375.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHWXSONNLZCPDN-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/DHWXSONNLZCPDN-UHFFFAOYSA-N/CHMO0000498
Version
Author Danny Wagner
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • trimethyl 2,4,6-triazidobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407579 PubChem
    The data in this table is sourced from UniChem at EBI.