Dataset

Methomyl

This MassBank record with Accession MSBNK-Athens_Univ-AU261901 contains the MS2 mass spectrum of Methomyl with the InChIkey UHXUZOCRWCRNSJ-QPJJXVBHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+
SMILES CNC(=O)O\N=C(/C)SC
InChI Key UHXUZOCRWCRNSJ-QPJJXVBHSA-N
Molecular Formula C5H10N2O2S
Exact Mass 162.046 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU261901
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:14:39.846547
MetadataModified 2025-02-08T19:11:45.796467
MetadataPublished 2019-05-30
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL552761 ChEMBL
C11196 KEGG Ligand
J3.448G Nikkaji
CIWREF CCDC
1NQ08HN02S FDA SRS
SCHEMBL27111 SureChEMBL
20208473 NMRShiftDB
ZINC000004652497 ZINC
HMDB0031804 Human Metabolome Database
18393 Brenda
5353758 PubChem
14867449 PubChem: Thomson Pharma
19928-35-9 ACToR
The data in this table is sourced from UniChem at EBI.