Dataset

Tebuconazole

This MassBank record with Accession MSBNK-Eawag-EQ00032708 contains the MS2 mass spectrum of Tebuconazole with the InChIkey PXMNMQRDXWABCY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
SMILES	CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
InChI Key	PXMNMQRDXWABCY-UHFFFAOYSA-N
Molecular Formula	C16H22ClN3O
Exact Mass	307.145 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-EQ00032708
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:31:57.759641
MetadataModified	2025-02-09T09:31:57.969703
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID9032113	EPA CompTox Dashboard
401ATW8TRW	FDA SRS
HY-B0852	MedChemExpress
50486193	BindingDB
HMDB0258762	Human Metabolome Database
83779	ChEBI
J1.629.792E	Nikkaji
CHEMBL487186	ChEMBL
C18489	KEGG Ligand
CB1350463	ChemicalBook
CB82131223	ChemicalBook
9974	Brenda
MCULE-5404194440	Mcule
86102	PubChem
PD077301	ProbesDrugs
14849880	PubChem: Thomson Pharma
107534-96-3	ACToR
SCHEMBL21789	SureChEMBL
80443-41-0	ACToR
664876	eMolecules
The data in this table is sourced from UniChem at EBI.