Dataset

Propyzamide

This MassBank record with Accession MSBNK-Athens_Univ-AU232103 contains the MS2 mass spectrum of Propyzamide with the InChIkey PHNUZKMIPFFYSO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
SMILES	CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C
InChI Key	PHNUZKMIPFFYSO-UHFFFAOYSA-N
Molecular Formula	C12H11Cl2NO
Exact Mass	255.022 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU232103
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:50:19.777906
MetadataModified	2025-02-08T19:15:32.125068
MetadataPublished	2019-05-29

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
32154	PubChem
PD118386	ProbesDrugs
14892877	PubChem: Thomson Pharma
11097-11-3	ACToR
23950-58-5	ACToR
2EZ95375S0	FDA SRS
502045	eMolecules
CB8182391	ChemicalBook
20209127	NMRShiftDB
SCHEMBL55124	SureChEMBL
CHEMBL283487	ChEMBL
C14333	KEGG Ligand
34935	ChEBI
MCULE-7506333827	Mcule
DTXSID2020420	EPA CompTox Dashboard
50099949	BindingDB
J1.873B	Nikkaji
HMDB0256847	Human Metabolome Database
HUDVEI	CCDC
ZINC000002014897	ZINC
The data in this table is sourced from UniChem at EBI.