Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H9N3O4/c15-17-16-12-7-10(14(20)21)5-6-11(12)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)(H,20,21)
SMILES [N-]=[N+]=Nc1cc(ccc1c1ccc(cc1)C(=O)O)C(=O)O
InChI Key RRDNELKBAPFEBO-UHFFFAOYSA-N
Molecular Formula C14H9N3O4
Exact Mass 283.239 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RRDNELKBAPFEBO-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/RRDNELKBAPFEBO-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:32:31.929262
MetadataModified 2024-09-07T18:28:30.957049
MetadataPublished 2020-08-08
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.460.201H Nikkaji
SCHEMBL18100911 SureChEMBL
122209615 PubChem
The data in this table is sourced from UniChem at EBI.