Dataset

4-Methoxycinnamic acid

This MassBank record with Accession MSBNK-RIKEN-PR305701 contains the MS2 mass spectrum of 4-Methoxycinnamic acid with the InChIkey AFDXODALSZRGIH-QPJJXVBHSA-N.

Chemical Info

InChI	InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
SMILES	COC1=CC=C(C=C1)/C=C/C(=O)O
InChI Key	AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula	C10H10O3
Exact Mass	178.187 g/mol

Data and Resources

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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-RIKEN-PR305701
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:44:33.783719
MetadataModified	2025-02-09T18:30:01.273535
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL95770	ChEMBL
DTXSID1046059	EPA CompTox Dashboard
ZINC000000077999	ZINC
J60.989G	Nikkaji
J47.704D	Nikkaji
MXCINN	CCDC
HY-N1387	MedChemExpress
50146453	BindingDB
229025	Brenda
143736	ChEBI
12015924	PubChem: Drugs of the Future
K3Z	PDBe
45801	Brenda
107758	Brenda
HMDB0002040	Human Metabolome Database
74507	Brenda
5414	Brenda
95229	Brenda
29555	Brenda
CB1152939	ChemicalBook
CB8152938	ChemicalBook
MCULE-6993960877	Mcule
6G4ML8401A	FDA SRS
20073795	NMRShiftDB
SCHEMBL58699	SureChEMBL
699414	PubChem
5676-64-2	ACToR
PD061978	ProbesDrugs
943-89-5	ACToR
15219627	PubChem: Thomson Pharma
830-09-1	ACToR
527557	eMolecules
The data in this table is sourced from UniChem at EBI.