Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C12H9N3S/c1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9/h1-8,13H/b14-8+
SMILES	c1ccc([nH]1)/C=N/c1nc2c(s1)cccc2
InChI Key	MHSZCQKGNCQJGP-RIYZIHGNSA-N
Molecular Formula	C12H9N3S
Exact Mass	227.285 g/mol

Data and Resources

• electron ionisation mass spectrometry (EI-MS)HTML
  Explore

  • More information
  • Go to resource

• electron-ionisation...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MHSZCQKGNCQJGP-RIYZIHGNSA-N/CHMO0000480
License URL
Source	https://www.chemotion-repository.net/inchikey/MHSZCQKGNCQJGP-RIYZIHGNSA-N/CHMO0000480
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:19:04.513333
MetadataModified	2024-09-08T03:19:04.513339
MetadataPublished	2024-04-17

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
135607246	PubChem
CHEMBL4103506	ChEMBL
The data in this table is sourced from UniChem at EBI.