Dataset

3-Hydroxycinnamic acid

This MassBank record with Accession MSBNK-RIKEN-PR302041 contains the MS2 mass spectrum of 3-Hydroxycinnamic acid with the InChIkey KKSDGJDHHZEWEP-SNAWJCMRSA-N.

Chemical Info

InChI	InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
SMILES	OC(=O)\C=C\C1=CC(O)=CC=C1
InChI Key	KKSDGJDHHZEWEP-SNAWJCMRSA-N
Molecular Formula	C9H8O3
Exact Mass	164.160 g/mol

Data and Resources

3-Hydroxycinnamic 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-PR302041
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:50:27.488928
MetadataModified	2025-02-09T18:33:16.255672
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
637541	PubChem
PD088209	ProbesDrugs
KWJ2DDJ34H	FDA SRS
15243296	PubChem: Thomson Pharma
14755-02-3	ACToR
SCHEMBL442408	SureChEMBL
494208	eMolecules
10024831	NMRShiftDB
MCULE-5006038728	Mcule
HMDB0001713	Human Metabolome Database
134775	Brenda
8432	Brenda
162505	Brenda
36315	Brenda
13193	Brenda
93988	Brenda
30578	Brenda
50821	Brenda
MTBLC32357	Metabolights
CB0468994	ChemicalBook
DTXSID00891551	EPA CompTox Dashboard
CHEMBL98521	ChEMBL
C12621	KEGG Ligand
32357	ChEBI
ZZZFKS	CCDC
50146456	BindingDB
228967	Brenda
HY-113357	MedChemExpress
J1.638A	Nikkaji
ZINC000000155996	ZINC
J136.385I	Nikkaji
CB3468995	ChemicalBook
221108	Brenda
The data in this table is sourced from UniChem at EBI.