Dataset

3-METHOXYPHENYLACETIC ACID

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011233 contains the MS mass spectrum of 3-METHOXYPHENYLACETIC ACID with the InChIkey LEGPZHPSIPPYIO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
SMILES	COc(c1)cc(cc1)CC(O)=O
InChI Key	LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula	C9H10O3
Exact Mass	166.063 g/mol

Data and Resources

3-METHOXYPHENYLACETIC ACIDHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP011233
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:20.075651
MetadataModified	2024-01-11T15:56:20.240701
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL345053	ChEMBL
527264	eMolecules
15971154	PubChem: Thomson Pharma
15719	PubChem
1798-09-0	ACToR
SCHEMBL229067	SureChEMBL
25XLO0T6MY	FDA SRS
PD124118	ProbesDrugs
V33	PDBe
MCULE-1584714103	Mcule
J54.948G	Nikkaji
20033061	NMRShiftDB
HY-W015343	MedChemExpress
ZINC000000153280	ZINC
LUDHUN	CCDC
DTXSID70170865	EPA CompTox Dashboard
CB1350236	ChemicalBook
HMDB0059969	Human Metabolome Database
170344	Brenda
88719	ChEBI
The data in this table is sourced from UniChem at EBI.