Dataset

Dimethirimol

This MassBank record with Accession MSBNK-Waters-WA000078 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-WA000078
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:32.868990
MetadataModified 2024-01-11T22:48:33.025198
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18784 KEGG Ligand
CHEMBL2288252 ChEMBL
81958 ChEBI
J3.070H Nikkaji
SCHEMBL54527 SureChEMBL
15414468 PubChem: Thomson Pharma
1V1RC2A67P FDA SRS
5221-53-4 ACToR
135424353 PubChem
ZINC000017061406 ZINC
DTXSID8041874 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.