mass spectrometry (MS)

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Chemotion - Repository

The Chemotion - Repository covers research data assigned to molecules, their properties and characterization, as well as reactions and experimental investigations. It is hosted...

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Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image

InChI	InChI=1S/C8H5I/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
SMILES	C#Cc1ccc(cc1)I
InChI Key	MYGXITKLGQBZBV-UHFFFAOYSA-N
Exact Mass	228.030 g/mol

Data and Resources

mass spectrometry (MS)HTML

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Metadata Information

Field	Value
DOI	10.14272/MYGXITKLGQBZBV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MYGXITKLGQBZBV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-22
Related Molecule

Field	Value
Measurement Technique	CHMO:0000470
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL3293990	SureChEMBL
134967418	PubChem: Thomson Pharma
CB82548519	ChemicalBook
NECNIS	CCDC
ZINC000082049682	ZINC
DTXSID30478894	EPA CompTox Dashboard
J856.618F	Nikkaji
12160833	PubChem
The data in this table is sourced from UniChem at EBI.