Dataset

trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, (E)-3-phenylprop-2-enoic acid, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT201050 contains the MS2 mass spectrum of trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, (E)-3-phenylprop-2-enoic acid, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid with the InChIkey WBYWAXJHAXSJNI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)
SMILES C1=CC=C(C=C1)C=CC(=O)O
InChI Key WBYWAXJHAXSJNI-UHFFFAOYSA-N
Molecular Formula C9H8O2
Exact Mass 148.161 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-PT201050
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:08:13.998656
MetadataModified 2024-01-11T21:08:14.156024
MetadataPublished 2008-07-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC27386 Metabolights
DTXSID40110056 EPA CompTox Dashboard
CINMAC CCDC
8784 PubChem
MCULE-4051659199 Mcule
10006448 NMRShiftDB
PD013623 ProbesDrugs
9045-22-1 ACToR
104521-37-1 ACToR
101921-26-0 ACToR
27386 ChEBI
The data in this table is sourced from UniChem at EBI.