Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C22H19NO4/c1-26-21(24)17-12-6-8-14-19(17)23(16-10-4-3-5-11-16)20-15-9-7-13-18(20)22(25)27-2/h3-15H,1-2H3
SMILES COC(=O)c1ccccc1N(c1ccccc1C(=O)OC)c1ccccc1
InChI Key GLEIMPRXYUXSOU-UHFFFAOYSA-N
Exact Mass 361.391 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GLEIMPRXYUXSOU-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/GLEIMPRXYUXSOU-UHFFFAOYSA-N/CHMO0000498
Version
Author Janine Haug
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-09-16
Related Molecule
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL13353027 SureChEMBL
13450289 PubChem
The data in this table is sourced from UniChem at EBI.