Dataset

trans-4-hydroxycinnamic acid, 4-Coumaric acid, (E)-3-(4-hydroxyphenyl)prop-2-enoic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT104510 contains the MS2 mass spectrum of trans-4-hydroxycinnamic acid, 4-Coumaric acid, (E)-3-(4-hydroxyphenyl)prop-2-enoic acid with the InChIkey NGSWKAQJJWESNS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)
SMILES C1=CC(=CC=C1C=CC(=O)O)O
InChI Key NGSWKAQJJWESNS-UHFFFAOYSA-N
Molecular Formula C9H8O3
Exact Mass 164.160 g/mol

Data and Resources

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-PT104510
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:09:34.825332
MetadataModified 2025-02-09T19:06:36.054893
MetadataPublished 2008-07-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-2590309260 Mcule
10006420 NMRShiftDB
322 PubChem
MTBLC36090 Metabolights
PD056292 ProbesDrugs
COUMAC CCDC
DTXSID6064660 EPA CompTox Dashboard
36090 ChEBI
The data in this table is sourced from UniChem at EBI.