Dataset

Metribuzin

This MassBank record with Accession MSBNK-Athens_Univ-AU313003 contains the MS2 mass spectrum of Metribuzin with the InChIkey FOXFZRUHNHCZPX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
SMILES CSC1=NN=C(C(=O)N1N)C(C)(C)C
InChI Key FOXFZRUHNHCZPX-UHFFFAOYSA-N
Molecular Formula C8H14N4OS
Exact Mass 214.089 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU313003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:02.487508
MetadataModified 2024-01-11T09:49:02.645983
MetadataPublished 2015-12-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB6690573 ChemicalBook
DTXSID6024204 EPA CompTox Dashboard
ZINC000000039744 ZINC
VEYGEL CCDC
HY-116954 MedChemExpress
J1.868F Nikkaji
34846 ChEBI
HMDB0254685 Human Metabolome Database
MCULE-7688611726 Mcule
20206257 NMRShiftDB
30479 PubChem
21087-64-9 ACToR
SCHEMBL66824 SureChEMBL
14892211 PubChem: Thomson Pharma
QO836138OV FDA SRS
CHEMBL1902519 ChEMBL
C14332 KEGG Ligand
1299186 eMolecules
The data in this table is sourced from UniChem at EBI.