Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C8H6O3/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-3,9H,4H2
SMILES	O=C1COc2c1c(O)ccc2
InChI Key	ILIRETRCSDBASX-UHFFFAOYSA-N
Molecular Formula	C8H6O3
Exact Mass	150.131 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/ILIRETRCSDBASX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ILIRETRCSDBASX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:34:54.293940
MetadataModified	2024-09-08T04:34:54.293946
MetadataPublished	2024-08-30

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL1137861	SureChEMBL
17390614	PubChem: Thomson Pharma
11949510	PubChem
ZINC000036520054	ZINC
J2.696.324I	Nikkaji
The data in this table is sourced from UniChem at EBI.