Dataset

Terbufos

This MassBank record with Accession MSBNK-Eawag-EQ00353804 contains the MS2 mass spectrum of Terbufos with the InChIkey XLNZEKHULJKQBA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
SMILES CCOP(=S)(OCC)SCSC(C)(C)C
InChI Key XLNZEKHULJKQBA-UHFFFAOYSA-N
Molecular Formula C9H21O2PS3
Exact Mass 288.044 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-Eawag-EQ00353804
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:57:02.940950
MetadataModified 2025-02-09T09:57:03.163371
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60071726 NMRShiftDB
M83BN0F8R9 FDA SRS
13071-79-9 ACToR
14922425 PubChem: Thomson Pharma
509501 eMolecules
7908 Brenda
25670 PubChem
SCHEMBL23773 SureChEMBL
J8.081K Nikkaji
ZINC000002019828 ZINC
HMDB0258828 Human Metabolome Database
DTXSID2022254 EPA CompTox Dashboard
C18693 KEGG Ligand
CHEMBL1406292 ChEMBL
38960 ChEBI
The data in this table is sourced from UniChem at EBI.