Dataset

Famphur

This MassBank record with Accession MSBNK-Eawag-EQ01136307 contains the MS2 mass spectrum of Famphur with the InChIkey JISACBWYRJHSMG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3
SMILES CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI Key JISACBWYRJHSMG-UHFFFAOYSA-N
Molecular Formula C10H16NO5PS2
Exact Mass 325.021 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-EQ01136307
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:14:37.235437
MetadataModified 2025-02-09T10:04:38.898719
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18658 KEGG Ligand
38677 ChEBI
CHEMBL1525287 ChEMBL
RUWCER CCDC
J4.136J Nikkaji
ZINC000002041376 ZINC
DTXSID7041966 EPA CompTox Dashboard
CB5696518 ChemicalBook
DB11408 DrugBank
PD014044 ProbesDrugs
02UOP4Z0O0 FDA SRS
52-85-7 ACToR
SCHEMBL119176 SureChEMBL
15347428 PubChem: Thomson Pharma
5859 PubChem
31216720 eMolecules
The data in this table is sourced from UniChem at EBI.