Dataset

(4-METHOXYPHENYL)ACETIC ACID

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010380 contains the MS mass spectrum of (4-METHOXYPHENYL)ACETIC ACID with the InChIkey NRPFNQUDKRYCNX-UHFFFAOYSA-N.

Chemical Info

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

Data and Resources

(4-METHOXYPHENYL)ACETIC 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-JP010380
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:58:00.061171
MetadataModified	2024-01-11T15:58:00.257106
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1760597	ChEMBL
55501	ChEBI
527276	eMolecules
7690	PubChem
PD124018	ProbesDrugs
104-01-8	ACToR
SCHEMBL240822	SureChEMBL
15388767	PubChem: Thomson Pharma
20033063	NMRShiftDB
MCULE-9247963107	Mcule
J10.116H	Nikkaji
CB5113770	ChemicalBook
231634	BindingDB
HMDB0002072	Human Metabolome Database
AJP2V8U5K6	FDA SRS
16186	Brenda
MTBLC55501	Metabolights
DTXSID1059288	EPA CompTox Dashboard
HY-W004206	MedChemExpress
ZINC000000157067	ZINC
The data in this table is sourced from UniChem at EBI.