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 | |
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 | ||
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 | ||
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 | ||
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 | ||
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 | ||
240 [M-H-CO-CH3]- | 307 [M + Na]+ | |||||||
255 [M-H-CO]- |