Dataset

trans-4-Coumaric acid

This MassBank record with Accession MSBNK-RIKEN-PR305559 contains the MS2 mass spectrum of trans-4-Coumaric 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 OC(=O)C=CC1=CC=C(O)C=C1
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305559
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:42.888940
MetadataModified 2024-01-11T20:42:43.053346
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
322 PubChem
MCULE-2590309260 Mcule
10006420 NMRShiftDB
PD056292 ProbesDrugs
MTBLC36090 Metabolights
DTXSID6064660 EPA CompTox Dashboard
COUMAC CCDC
36090 ChEBI
The data in this table is sourced from UniChem at EBI.