Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H12N6/c1-2-3-4-9-7-16(15-13-9)10-8(5-11)6-12-14-10/h6-7H,2-4H2,1H3,(H,12,14)
SMILES CCCCc1nnn(c1)c1n[nH]cc1C#N
InChI Key USLFBJCHBNQGJB-UHFFFAOYSA-N
Molecular Formula C10H12N6
Exact Mass 216.242 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/USLFBJCHBNQGJB-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/USLFBJCHBNQGJB-UHFFFAOYSA-N/CHMO0000470
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:49:21.107299
MetadataModified 2024-09-08T02:49:21.107304
MetadataPublished 2024-02-14
Field Value
Measurement Technique mass spectrometry
Measurement Variables