Dataset

electrospray ionisation mass spectrometry (ESMS)

dataset for electrospray ionisation mass spectrometry (ESMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H12O3/c1-11-9(12-2)7-4-3-5-8(10)6-7/h3-6,9-10H,1-2H3
SMILES COC(c1cccc(c1)O)OC
InChI Key CJTUFUALQDKYIB-UHFFFAOYSA-N
Molecular Formula C9H12O3
Exact Mass 168.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CJTUFUALQDKYIB-UHFFFAOYSA-N/CHMO0000482
License URL
Source https://www.chemotion-repository.net/inchikey/CJTUFUALQDKYIB-UHFFFAOYSA-N/CHMO0000482
Version
Author Nilima Manoj Kumar
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:22:16.387988
MetadataModified 2024-09-07T22:00:36.798808
MetadataPublished 2022-04-14
Field Value
Measurement Technique electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID40460806 EPA CompTox Dashboard
J1.620.210J Nikkaji
16361611 PubChem: Thomson Pharma
11275229 PubChem
SCHEMBL8177814 SureChEMBL
The data in this table is sourced from UniChem at EBI.