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Table 2 Assignments of the seven characteristic peaks by HPLC/UV/MS

From: Quality assessment on Polygoni Multiflori Caulis using HPLC/UV/MS combined with principle component analysis

No.

RT (min)

UV λmax(nm)

MS in Neg. mode

MS2in Neg. mode

MS in Pos. mode

MS2in Pos. mode

Assignment

References

1

19.6

319

405 [M-H]-

243 [M-H-glucosyl]-

407 [M + H]+

245 [M + H-glucosyl]+

THSG

[1114]

   

451 [M-H + HCOOH]-

 

429 [M + Na]+

   
   

811 [2 M-H]-

 

245 [M + H-glucosyl]+

   

2

45.1

281

431 [M-H]-

182 [M-H-glucosyl-CO2-CO-CH3]-

433 [M + H]+

 

Emodin-8-O-β-D-glucoside

[11, 1316]

    

197 [M-H-glucosyl-CO2-CO]-

455 [M + Na]+

   
    

225 [M-H-glucosyl-CO2]-

887 [2 M + Na]+

   
    

241 [M-H-glucosyl-CO]-

271 [M + H-glucosyl]+

   
    

269 [M-H-glucosyl]-

    
   

863 [2 M-H]-

     

3

48.2

281

517 [M-H]-

225 [M-H-malonylglucosyl-CO2]-

541 [M + Na]+

 

Emodin-8-O-(6′-O-malonyl)-β-D-glucoside

[14]

    

269 [M-H-malonylglucosyl]-

271 [M + H-malonylglucosyl]+

   
   

473 [M-H-CO2]-

     

4

50.5

270

445 [M-H]-

212 [M-H-glucosyl-CH3-2CO]-

469 [M + Na]+

 

Physcion-8-O-β-D-glucoside

[11, 1316]

    

240 [M-H-glucosyl-CH3-CO]-

285 [M + H-glucosyl]+

   
    

253 [M-H-glucosyl-2CH3]-

    
    

268 [M-H-glucosyl-CH3]-

    
    

283 [M-H-glucosyl]-

    
   

491 [M-H + HCOOH]-

     
   

283 [M-H-glucosyl]-

     

5

55.8

270

487 [M-H]-

240 [M-H-acetylglucosyl-CO-CH3]-

511 [M + Na]+

 

Physcion-8-O-(6′-O-acetyl)-β-D-glucoside

[11, 16]

   

533 [M-H + HCOOH]-

 

285 [M + H-acetylglucosyl]+

   
   

283 [M-H-acetylglucosyl]-

     

6

70.1

222, 288

269 [M-H]-

182 [M-H-CO-CO2-CH3]-

271 [M + H]+

 

Emodin

[1117]

    

225 [M-H-CO2]-

    
    

241 [M-H-CO]-

    

7

73.8

223, 286

283 [M-H]-

212 [M-H-2CO-CH3]-

285 [M + H]+

 

Physcion

[1217]

    

240 [M-H-CO-CH3]-

307 [M + Na]+

   
    

255 [M-H-CO]-