Dataset

Morphothion

This MassBank record with Accession MSBNK-Eawag-EQ01128306 contains the MS2 mass spectrum of Morphothion with the InChIkey NTHGWXIWFHGPLK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3
SMILES COP(=S)(OC)SCC(=O)N1CCOCC1
InChI Key NTHGWXIWFHGPLK-UHFFFAOYSA-N
Molecular Formula C8H16NO4PS2
Exact Mass 285.026 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-EQ01128306
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:23:32.249376
MetadataModified 2025-02-09T09:54:47.221627
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL118076 SureChEMBL
16770162 PubChem: Thomson Pharma
7V9MBL2263 FDA SRS
144-41-2 ACToR
8952 PubChem
J96.880C Nikkaji
CB8851590 ChemicalBook
DTXSID9042172 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.