Dataset

n-phenylpropanamide

This MassBank record with Accession MSBNK-UvA_IBED-UI000801 contains the MS2 mass spectrum of n-phenylpropanamide with the InChIkey ZTHRQJQJODGZHV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
SMILES CCC(=O)NC1=CC=CC=C1
InChI Key ZTHRQJQJODGZHV-UHFFFAOYSA-N
Molecular Formula C9H11NO
Exact Mass 149.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UvA_IBED-UI000801
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T19:56:38.237968
MetadataModified 2025-02-09T19:56:38.439234
MetadataPublished 2024-08-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
UYP5ZQI00T FDA SRS
SCHEMBL9706 SureChEMBL
620-71-3 ACToR
14992184 PubChem: Thomson Pharma
1060361 eMolecules
12107 PubChem
MCULE-9489768560 Mcule
20209268 NMRShiftDB
ZINC000000399967 ZINC
CHEMBL1870645 ChEMBL
DTXSID0060721 EPA CompTox Dashboard
HMDB0255232 Human Metabolome Database
CB3206021 ChemicalBook
J6.825J Nikkaji
The data in this table is sourced from UniChem at EBI.