Dataset

electrospray ionisation mass spectrometry (ESMS)

dataset for electrospray ionisation mass spectrometry (ESMS)

Chemical Information

molecular Image
InChI InChI=1S/C15H22N4O4/c20-6-8-22-10-12-23-11-9-21-7-5-19-13-15(17-18-19)14-3-1-2-4-16-14/h1-4,13,20H,5-12H2
SMILES OCCOCCOCCOCCn1nnc(c1)c1ccccn1
InChI Key GJRAKKLOMLNBAU-UHFFFAOYSA-N
Molecular Formula C15H22N4O4
Exact Mass 322.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJRAKKLOMLNBAU-UHFFFAOYSA-N/CHMO0000482
License URL
Source https://www.chemotion-repository.net/inchikey/GJRAKKLOMLNBAU-UHFFFAOYSA-N/CHMO0000482
Version
Author Luis Guillermo Moreno Alcántar
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-12-22
Related Molecule
  • 2-[2-[2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol
    • Field Value
    Measurement Technique electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.480.402H Nikkaji
    122370622 PubChem
    The data in this table is sourced from UniChem at EBI.