Dataset

Myclobutanil

This MassBank record with Accession MSBNK-Eawag-EQ00295702 contains the MS2 mass spectrum of Myclobutanil with the InChIkey HZJKXKUJVSEEFU-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
SMILES	CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1
InChI Key	HZJKXKUJVSEEFU-UHFFFAOYSA-N
Molecular Formula	C15H17ClN4
Exact Mass	288.114 g/mol

Data and Resources

MyclobutanilHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00295702
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:05:04.030224
MetadataModified	2025-02-09T10:05:04.228047
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL21809	SureChEMBL
24381	Brenda
14897938	PubChem: Thomson Pharma
6336	PubChem
154144-93-1	ACToR
88671-89-0	ACToR
PD000134	ProbesDrugs
499828	eMolecules
CHEMBL1904430	ChEMBL
C18477	KEGG Ligand
CB5190849	ChemicalBook
J343.426E	Nikkaji
B6T1JTM6KZ	FDA SRS
HY-B2148	MedChemExpress
HMDB0243541	Human Metabolome Database
83729	ChEBI
J3.255.597G	Nikkaji
J3.255.598E	Nikkaji
DTXSID8024315	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.