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Table 1 Summary of fragment and neutral loss (NL) screening from the fluorinated tail and polar head, respectively, in the study. Normal font subclasses recognized from both tail and head, bold subclasses only from headgroup, italicized subclass from tail

From: Comprehensive nontargeted analysis of fluorosurfactant byproducts and reaction products in wastewater from semiconductor manufacturing

By tail

By head

[CnF2n+1]

[CnF2n+1O]

[CnF2n-1]

[CnF2n-1O]

[CnF2n-3]

HFa

No prior fragments or NL from fluorinated tail

[SO2N]

FASAAs

E-FASAs

E-FASAAs

H-FASAAs

   

FASAs

H-FASAs

[SO2F]

PFSAi

N-Alkyl FASAAs

      

[SO3]

FASEEs

  

H2-E-PFSAs

H2-E-PFSAs

H-PFSAs

n:2 FTSAs

H2-E-PFSA

PFSAs

[HSO2]

N-Alkyl FASAs

FASEE mono-ol

monoacids

E-FASEs

U-FASEs

E–H-FASEs

U-E-FASEs

  

FASEs

H-FASEs

Miscellaneous FASEs

FASAcALs

FASAcAL hydrates/ hemiacetals

[SO2NC2H4O]

FASEE mono-ol

monoacids

E-FASEs

U-FASEs

H-E-FASEs

U-E-FASEs

  

FASEs

H-FASEs

Miscellaneous FASEs

[SO2N(C2H4O)2]

FASEEs

     

H-FASEEs

CO2a

PFCAs

U-E-PFCAs

PFdiCAs

 

U-PFCAs

U-E-PFCAs

PFdiCAs

U-E-PFCAs

PFdiCAs

  

CO2HFa

H-E-PFCAs

H2-E-PFCAs

H-E-PFCAs

H-PFCAs

H-E-PFCAs

   

CnH2nCO2a,b

FASAAs

FASPrAs

N-Alkyl FASAAs

FASEE diacids FASEE mono-ol monoacids

E-FASAAs

H-FASAAs

    

X = SO3, CONH,..a

      

Miscellaneous FASAs

Miscellaneous FASEs

No prior fragments and NL from headgroup

 

E-PFCAs

     
  1. aNeutral losses from MS2 spectra
  2. bThe neutral loss from sulfonamido carboxylic acid is “CnH2nCO2”, exemplified by sulfonamido acetic acid (CH2CO2 58.0055) and sulfonamido propanoic acid (C2H4CO2 72.0211)