Dataset

CINNAMIC ACID ETHYL ESTER

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008063 contains the MS mass spectrum of CINNAMIC ACID ETHYL ESTER with the InChIkey KBEBGUQPQBELIU-CMDGGOBGSA-N.

Chemical Info

InChI	InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
SMILES	CCOC(=O)C=Cc(c1)cccc1
InChI Key	KBEBGUQPQBELIU-CMDGGOBGSA-N
Molecular Formula	C11H12O2
Exact Mass	176.084 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-Fac_Eng_Univ_Tokyo-JP008063
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:12:07.189787
MetadataModified	2025-02-09T12:50:15.704409
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
637758	PubChem
PD158441	ProbesDrugs
C023P3M5JJ	FDA SRS
15219600	PubChem: Thomson Pharma
4192-77-2	ACToR
103-36-6	ACToR
SCHEMBL112445	SureChEMBL
478796	eMolecules
107401	Brenda
ZINC000012358720	ZINC
140064	Brenda
CB9226049	ChemicalBook
10009219	NMRShiftDB
10025085	NMRShiftDB
C06359	KEGG Ligand
CHEMBL318196	ChEMBL
CB04796895	ChemicalBook
HY-Y0121	MedChemExpress
4895	ChEBI
BIDMOQ	CCDC
J2.849E	Nikkaji
J45.977A	Nikkaji
The data in this table is sourced from UniChem at EBI.