Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H12IN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
SMILES	Ic1ccc2c(c1)C(C)(C)C(=N2)C
InChI Key	GCSMQZIBGLQVLL-UHFFFAOYSA-N
Molecular Formula	C11H12IN
Exact Mass	285.124 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GCSMQZIBGLQVLL-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/GCSMQZIBGLQVLL-UHFFFAOYSA-N/Mass
Version
Author	Alex Braun
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:55:14.762522
MetadataModified	2024-09-07T14:50:40.811401
MetadataPublished	2019-03-25

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL2344035	SureChEMBL
49686572	PubChem: Thomson Pharma
J1.770.238F	Nikkaji
21858026	PubChem
The data in this table is sourced from UniChem at EBI.