Dataset

10-2-FTS

This MassBank record with Accession MSBNK-Eawag-EQ01143952 contains the MS2 mass spectrum of 10-2-FTS with the InChIkey AJMAYLFJZQYRHN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H5F21O3S/c13-3(14,1-2-37(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H,34,35,36)
SMILES C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key AJMAYLFJZQYRHN-UHFFFAOYSA-N
Molecular Formula C12H5F21O3S
Exact Mass 627.962 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-EQ01143952
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:40:36.207379
MetadataModified 2025-02-09T09:40:36.404413
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
23136180 PubChem
SCHEMBL1826363 SureChEMBL
J182.399J Nikkaji
DTXSID50892578 EPA CompTox Dashboard
ZINC000164680829 ZINC
The data in this table is sourced from UniChem at EBI.