Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H10O3/c1-6-3-8(11)5-9(4-6)12-7(2)10/h3-5,11H,1-2H3
SMILES	CC(=O)Oc1cc(C)cc(c1)O
InChI Key	WNNFOAQKFKIJQP-UHFFFAOYSA-N
Molecular Formula	C9H10O3
Exact Mass	166.174 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:15:40.057967
MetadataModified	2024-09-08T02:15:40.057971
MetadataPublished	2024-01-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
22722640	PubChem
J152.643J	Nikkaji
SCHEMBL6749439	SureChEMBL
The data in this table is sourced from UniChem at EBI.