Dataset

trans-Ferulic acid

This MassBank record with Accession MSBNK-RIKEN-PR307162 contains the MS2 mass spectrum of trans-Ferulic acid with the InChIkey KSEBMYQBYZTDHS-UHFFFAOYSA-N.

Chemical Info

molecular Image
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(O)C=CC(C=CC(O)=O)=C1
InChI Key KSEBMYQBYZTDHS-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.186 g/mol

Data and Resources

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-PR307162
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:28:15.302093
MetadataModified 2025-02-09T18:27:12.614231
MetadataPublished 2019-03-28
Related Molecule
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.