Dataset

3,4-Dimethoxycinnamic acid

This MassBank record with Accession MSBNK-RIKEN-PR302374 contains the MS2 mass spectrum of 3,4-Dimethoxycinnamic acid with the InChIkey HJBWJAPEBGSQPR-GQCTYLIASA-N.

Chemical Info

InChI	InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
SMILES	COC1=C(OC)C=C(\C=C\C(O)=O)C=C1
InChI Key	HJBWJAPEBGSQPR-GQCTYLIASA-N
Molecular Formula	C11H12O4
Exact Mass	208.213 g/mol

Data and Resources

3,4-Dimethoxycinnamic 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-RIKEN-PR302374
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:36.030197
MetadataModified	2024-01-11T20:42:36.203661
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
536893	eMolecules
717531	PubChem
PD002140	ProbesDrugs
BVZ841PVJL	FDA SRS
14892123	PubChem: Thomson Pharma
SCHEMBL81317	SureChEMBL
2316-26-9	ACToR
14737-89-4	ACToR
20040371	NMRShiftDB
CB1119956	ChemicalBook
HMDB0034315	Human Metabolome Database
200293	Brenda
HY-N1778	MedChemExpress
86549	ChEBI
MCULE-4648711215	Mcule
LSM-44076	LINCS
50341141	BindingDB
J208.407D	Nikkaji
J227.171K	Nikkaji
CEMJOT	CCDC
ZINC000000116202	ZINC
CB8119955	ChemicalBook
CHEMBL320295	ChEMBL
The data in this table is sourced from UniChem at EBI.