Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H13NO3/c1-7(12)11-9-6-8(13-2)4-5-10(9)14-3/h4-6H,1-3H3,(H,11,12)
SMILES	COc1ccc(c(c1)NC(=O)C)OC
InChI Key	HOZRMSVNIKYCMB-UHFFFAOYSA-N
Molecular Formula	C10H13NO3
Exact Mass	195.215 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HOZRMSVNIKYCMB-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/HOZRMSVNIKYCMB-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:42:55.612721
MetadataModified	2024-09-07T14:33:31.168378
MetadataPublished	2018-09-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
BQT642LWE1	FDA SRS
15712484	PubChem: Thomson Pharma
SCHEMBL2502603	SureChEMBL
3467-59-2	ACToR
609652	eMolecules
MCULE-2618773035	Mcule
77015	PubChem
J58.396K	Nikkaji
ZINC000000135242	ZINC
DTXSID8063044	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.