Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H12N4/c17-15-16-18-10-14(11-6-2-1-3-7-11)20(16)13-9-5-4-8-12(13)19-15/h1-10H,(H2,17,19)
SMILES Nc1nc2ccccc2n2c1ncc2c1ccccc1
InChI Key LDKDBUVLGOHXSC-UHFFFAOYSA-N
Molecular Formula C16H12N4
Exact Mass 260.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDKDBUVLGOHXSC-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/LDKDBUVLGOHXSC-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:04:35.111212
MetadataModified 2024-09-07T21:44:44.544623
MetadataPublished 2022-02-11
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
58087448 PubChem: Thomson Pharma
25253403 PubChem
SCHEMBL2817520 SureChEMBL
The data in this table is sourced from UniChem at EBI.