Dataset

Dimethirimol

This MassBank record with Accession MSBNK-Waters-WA000077 contains the MS2 mass spectrum of Dimethirimol with the InChIkey CJHXCRMKMMBYJQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
SMILES CCCCc(c(C)1)c(O)nc(N(C)C)n1
InChI Key CJHXCRMKMMBYJQ-UHFFFAOYSA-N
Molecular Formula C11H19N3O
Exact Mass 209.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000077
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:34.800764
MetadataModified 2025-02-09T20:23:44.020998
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15414468 PubChem: Thomson Pharma
1V1RC2A67P FDA SRS
5221-53-4 ACToR
CHEMBL2288252 ChEMBL
81958 ChEBI
SCHEMBL54527 SureChEMBL
ZINC000017061406 ZINC
J3.070H Nikkaji
DTXSID8041874 EPA CompTox Dashboard
135424353 PubChem
C18784 KEGG Ligand
The data in this table is sourced from UniChem at EBI.