Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C23H18N4O3/c24-12-16-8-9-17-18(11-16)21-20(30-23(17)28)7-4-10-29-14-19-22(21)25-26-27(19)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11H,4,7,10,13-14H2
SMILES N#Cc1ccc2c(c1)c1-c3nnn(c3COCCCc1oc2=O)Cc1ccccc1
InChI Key QAIBZKCRJKJHGY-UHFFFAOYSA-N
Molecular Formula C23H18N4O3
Exact Mass 398.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QAIBZKCRJKJHGY-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/QAIBZKCRJKJHGY-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:04:15.233397
MetadataModified 2024-09-08T01:04:15.233403
MetadataPublished 2023-06-02
Field Value
Measurement Technique high-resolution electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168301072 PubChem
The data in this table is sourced from UniChem at EBI.