Dataset

3-Methoxycinnamic acid

This MassBank record with Accession MSBNK-RIKEN-PR302215 contains the MS2 mass spectrum of 3-Methoxycinnamic acid with the InChIkey LZPNXAULYJPXEH-AATRIKPKSA-N.

Chemical Info

InChI	InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
SMILES	COC1=CC=CC(\C=C\C(O)=O)=C1
InChI Key	LZPNXAULYJPXEH-AATRIKPKSA-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-PR302215
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:41.976845
MetadataModified	2024-01-11T20:42:42.185430
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
16069372	PubChem: Thomson Pharma
192607	ChEBI
17570-26-2	ACToR
SCHEMBL80786	SureChEMBL
637668	PubChem
MCULE-6328059715	Mcule
J149.324H	Nikkaji
ZZZNRU	CCDC
228971	Brenda
50486904	BindingDB
ZINC000000074801	ZINC
CB8172590	ChemicalBook
J135.441H	Nikkaji
95889	Brenda
134770	Brenda
68801	Brenda
DTXSID70875904	EPA CompTox Dashboard
CB0172589	ChemicalBook
527543	eMolecules
CHEMBL95769	ChEMBL
The data in this table is sourced from UniChem at EBI.