Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)
SMILES OC(=O)c1c(N=[N+]=[N-])c(C(=O)O)c(c(c1N=[N+]=[N-])C(=O)O)N=[N+]=[N-]
InChI Key LSJVJAOCLWCAPE-UHFFFAOYSA-N
Molecular Formula C9H3N9O6
Exact Mass 333.177 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LSJVJAOCLWCAPE-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/LSJVJAOCLWCAPE-UHFFFAOYSA-N/CHMO0000480
Version
Author Danny Wagner
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • 2,4,6-triazidobenzene-1,3,5-tricarboxylic acid
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407590 pubchem
    The data in this table is sourced from UniChem at EBI.