Dataset

10-2-FTS; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01143955 contains the MS2 mass spectrum of 10-2-FTS with the InChIkey AJMAYLFJZQYRHN-UHFFFAOYSA-N.

Chemical Information

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-EQ01143955
Version
Author
Maintainer
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MetadataPublished 2024-05-15
Related Molecule
  • 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1826363 surechembl
    23136180 pubchem
    Molport-039-016-512 molport
    The data in this table is sourced from UniChem at EBI.