Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3
SMILES CC(COC(=O)c1c(N)c(C(=O)OCC(C)C)c(c(c1N)C(=O)OCC(C)C)N)C
InChI Key MZVWXNMVEPSDOD-UHFFFAOYSA-N
Molecular Formula C21H33N3O6
Exact Mass 423.503 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MZVWXNMVEPSDOD-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/MZVWXNMVEPSDOD-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • tris(2-methylpropyl) 2,4,6-triaminobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407592 PubChem
    The data in this table is sourced from UniChem at EBI.