Dataset

Metribuzin-desamino

This MassBank record with Accession MSBNK-Athens_Univ-AU206505 contains the MS2 mass spectrum of Metribuzin-desamino with the InChIkey MIWRSUQXSCLDNV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)
SMILES CSC1=NC(=O)C(=NN1)C(C)(C)C
InChI Key MIWRSUQXSCLDNV-UHFFFAOYSA-N
Molecular Formula C8H13N3OS
Exact Mass 199.078 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-AU206505
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:44.471049
MetadataModified 2025-02-08T19:18:41.028119
MetadataPublished 2015-12-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15731601 eMolecules
182534 ChEBI
DTXSID0052839 EPA CompTox Dashboard
135502804 PubChem
ZINC000004624403 ZINC
CHEMBL3561702 ChEMBL
SCHEMBL11059491 SureChEMBL
MCULE-4945409051 Mcule
J124.926F Nikkaji
XEMROA CCDC
The data in this table is sourced from UniChem at EBI.