Dataset

Triadimefon

This MassBank record with Accession MSBNK-Eawag-EQ01131754 contains the MS2 mass spectrum of Triadimefon with the InChIkey WURBVZBTWMNKQT-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
SMILES	CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl
InChI Key	WURBVZBTWMNKQT-UHFFFAOYSA-N
Molecular Formula	C14H16ClN3O2
Exact Mass	293.093 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01131754
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T13:46:16.043100
MetadataModified	2025-02-09T09:56:53.583864
MetadataPublished	2023-04-27

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C11156	KEGG Ligand
CHEMBL520897	ChEMBL
HMDB0259142	Human Metabolome Database
84002	ChEBI
J1.896A	Nikkaji
50295561	BindingDB
HY-123037	MedChemExpress
1HW039CJF0	FDA SRS
DTXSID3023897	EPA CompTox Dashboard
CB7426290	ChemicalBook
11562	Brenda
14052	Brenda
MCULE-3287013666	Mcule
39385	PubChem
93779-51-2	ACToR
LSM-4424	LINCS
60073062	NMRShiftDB
PD000952	ProbesDrugs
SCHEMBL21204	SureChEMBL
14922624	PubChem: Thomson Pharma
43121-43-3	ACToR
508563	eMolecules
The data in this table is sourced from UniChem at EBI.