Dataset

4-Methoxycinnamic acid

This MassBank record with Accession MSBNK-RIKEN-PR305749 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-PR305749
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:44.119252
MetadataModified	2024-01-11T20:42:44.296742
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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