Dataset

PFEtS

This MassBank record with Accession MSBNK-Eawag-EQ01143552 contains the MS2 mass spectrum of PFEtS with the InChIkey GKNWQHIXXANPTN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)
SMILES C(C(F)(F)S(=O)(=O)O)(F)(F)F
InChI Key GKNWQHIXXANPTN-UHFFFAOYSA-N
Molecular Formula C2HF5O3S
Exact Mass 199.957 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-EQ01143552
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:34:04.857993
MetadataModified 2025-02-09T10:34:05.021006
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB1971495 ChemicalBook
ZINC000038392247 ZINC
J1.223.766I Nikkaji
DTXSID30870511 EPA CompTox Dashboard
10219841 PubChem
15220009 PubChem: Thomson Pharma
SCHEMBL105340 SureChEMBL
The data in this table is sourced from UniChem at EBI.