Dataset

Propham

This MassBank record with Accession MSBNK-Eawag-EQ01139303 contains the MS2 mass spectrum of Propham with the InChIkey VXPLXMJHHKHSOA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
SMILES CC(C)OC(=O)NC1=CC=CC=C1
InChI Key VXPLXMJHHKHSOA-UHFFFAOYSA-N
Molecular Formula C10H13NO2
Exact Mass 179.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01139303
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:24:00.786181
MetadataModified 2025-02-09T09:32:26.897701
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB2179522 ChemicalBook
ZINC000000395011 ZINC
MCULE-4687953041 Mcule
510155 eMolecules
24685 PubChem
SCHEMBL67344 SureChEMBL
15195149 PubChem: Thomson Pharma
122-42-9 ACToR
Y647G714RY FDA SRS
J2.928I Nikkaji
82035 ChEBI
DOVHOL CCDC
DTXSID7020766 EPA CompTox Dashboard
CHEMBL1080996 ChEMBL
C18887 KEGG Ligand
The data in this table is sourced from UniChem at EBI.