Dataset

trans-Ferulic acid

This MassBank record with Accession MSBNK-RIKEN-PR303436 contains the MS2 mass spectrum of trans-Ferulic acid with the InChIkey KSEBMYQBYZTDHS-HWKANZROSA-N.

Chemical Info

InChI	InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
SMILES	COC1=C(O)C=CC(\C=C\C(O)=O)=C1
InChI Key	KSEBMYQBYZTDHS-HWKANZROSA-N
Molecular Formula	C10H10O4
Exact Mass	194.186 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-PR303436
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:48:55.130632
MetadataModified	2025-02-09T18:27:10.981928
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB07767	DrugBank
125299308	PubChem: Drugs of the Future
CHEMBL32749	ChEMBL
FER	PDBe
17620	ChEBI
C01494	KEGG Ligand
233988	Brenda
LSM-44126	LINCS
HY-N0060	MedChemExpress
FERULIC ACID	rxnorm
60005418	NMRShiftDB
50214744	BindingDB
GASVOL	CCDC
J7.273G	Nikkaji
J14.707I	Nikkaji
ZINC000000058258	ZINC
CB3337152	ChemicalBook
97274-61-8	ACToR
45165	Brenda
24245	Brenda
95929	Brenda
1047	Brenda
67212	Brenda
126827	Brenda
452	Brenda
93383	Brenda
HMDB0000954	Human Metabolome Database
7734	Brenda
CB0337151	ChemicalBook
DTXSID70892035	EPA CompTox Dashboard
34786	Brenda
30600	Brenda
MTBLC17620	Metabolights
MCULE-8442047802	Mcule
445858	PubChem
SODIUM FERULATE	clinicaltrials
Fumalic-acid(Ferulic-acid)	Selleck
537-98-4	ACToR
1135-24-6	ACToR
SCHEMBL15673	SureChEMBL
AVM951ZWST	FDA SRS
15322326	PubChem: Thomson Pharma
PD001909	ProbesDrugs
480325	eMolecules
The data in this table is sourced from UniChem at EBI.