Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H9IO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
SMILES	Ic1ccccc1Oc1ccccc1
InChI Key	AOZLGVLVAJRLPS-UHFFFAOYSA-N
Molecular Formula	C12H9IO
Exact Mass	296.104 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/AOZLGVLVAJRLPS-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/AOZLGVLVAJRLPS-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:16:08.784504
MetadataModified	2025-01-29T16:09:16.204878
MetadataPublished	2024-10-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12889355	PubChem
SCHEMBL1869607	SureChEMBL
DTXSID10512386	EPA CompTox Dashboard
CB7836138	ChemicalBook
J892.635B	Nikkaji
ZINC000021999358	ZINC
The data in this table is sourced from UniChem at EBI.