Dataset

Malathion

This MassBank record with Accession MSBNK-AGILENT-AG000017 contains the MS2 mass spectrum of Malathion with the InChIkey JXSJBGJIGXNWCI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
SMILES CCOC(=O)C(CC(=O)OCC)SP(=S)(OC)OC
InChI Key JXSJBGJIGXNWCI-UHFFFAOYSA-N
Molecular Formula C10H19O6PS2
Exact Mass 330.036 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000017
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:04.295189
MetadataModified 2024-01-11T09:29:04.486692
MetadataPublished 2023-02-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00772 DrugBank
C07497 KEGG Ligand
CHEMBL1200468 ChEMBL
500877 eMolecules
20209207 NMRShiftDB
J381F Nikkaji
SCHEMBL27358 SureChEMBL
4004 PubChem
PD001937 ProbesDrugs
Malathion Atlas
14895285 PubChem: Thomson Pharma
11096-67-6 ACToR
121-75-5 ACToR
85372 BindingDB
MALATHION DailyMed
OVIDE rxnorm
MALATHION rxnorm
1626 DrugCentral
MALATHION clinicaltrials
U5N7SU872W FDA SRS
DTXSID4020791 EPA CompTox Dashboard
OVIDE clinicaltrials
141474 ChEBI
HMDB0014910 Human Metabolome Database
1888 Brenda
147039 Brenda
malathion DailyMed
PA164748092 PharmGKB
The data in this table is sourced from UniChem at EBI.