Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C18H21N9O6/c1-7(2)31-16(28)10-13(22-25-19)11(17(29)32-8(3)4)15(24-27-21)12(14(10)23-26-20)18(30)33-9(5)6/h7-9H,1-6H3
SMILES CC(OC(=O)c1c(N=[N+]=[N-])c(C(=O)OC(C)C)c(c(c1N=[N+]=[N-])C(=O)OC(C)C)N=[N+]=[N-])C
InChI Key ROXLWZLNQXFRED-UHFFFAOYSA-N
Molecular Formula C18H21N9O6
Exact Mass 459.416 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ROXLWZLNQXFRED-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/ROXLWZLNQXFRED-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • tripropan-2-yl 2,4,6-triazidobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407580 PubChem
    The data in this table is sourced from UniChem at EBI.