Dataset

Cyproconazole

This MassBank record with Accession MSBNK-Eawag-EQ00008602 contains the MS2 mass spectrum of Cyproconazole with the InChIkey UFNOUKDBUJZYDE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
SMILES	CC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1
InChI Key	UFNOUKDBUJZYDE-UHFFFAOYSA-N
Molecular Formula	C15H18ClN3O
Exact Mass	291.114 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-EQ00008602
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:07:47.265173
MetadataModified	2025-02-09T10:07:47.478909
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C18456	KEGG Ligand
HMDB0250696	Human Metabolome Database
83748	ChEBI
J633.729E	Nikkaji
622B9C3E6T	FDA SRS
HY-A0277	MedChemExpress
DTXSID0032601	EPA CompTox Dashboard
CB5716689	ChemicalBook
CHEMBL2131954	ChEMBL
SCHEMBL20791	SureChEMBL
14849194	PubChem: Thomson Pharma
cyproconazole	Atlas
CyP	Atlas
94361-06-5	ACToR
113096-99-4	ACToR
PD063800	ProbesDrugs
10440369	eMolecules
86132	PubChem
CB3716690	ChemicalBook
24379	Brenda
The data in this table is sourced from UniChem at EBI.