Dataset

Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS001102 contains the MS2 mass spectrum of Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate with the InChIkey KSEBMYQBYZTDHS-UHFFFAOYSA-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)
SMILES	COC1=C(C=CC(=C1)C=CC(=O)O)O
InChI Key	KSEBMYQBYZTDHS-UHFFFAOYSA-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/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS001102
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:29:33.515435
MetadataModified	2025-02-09T19:07:16.410710
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
709	PubChem
PD055991	ProbesDrugs
193350	ChEBI
8294406	eMolecules
10009240	NMRShiftDB
GASVOL	CCDC
DTXSID5040673	EPA CompTox Dashboard
CHEMBL3185646	ChEMBL
MCULE-6127598109	Mcule
The data in this table is sourced from UniChem at EBI.