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. 2020 Oct 21;5(43):27933–27943. doi: 10.1021/acsomega.0c03266

Table 2. UHPLC–PDA-Based ESI/MS–MS Identification and Fragmentation of Withanolides and Withanosides.

sr. no. retention time (min) analyte molecular formula molecular weight polarity precursor ion MS/MS
1 15.67 withanoside IV C40H62O15 782 –ve 781 [C40H61O15]- 781 – (m/z 764), (m/z 619), (m/z 221)
2 17.11 withanoside VII C40H62O15 782 +ve 783 [C40H63O15]+ 783 – (m/z 441), (m/z 423), (m/z 405), (m/z 279)
3 18.12 viscosalactone B C28H40O7 488 +ve 489 [C28H41O7]+ 489 – (m/z 453), (m/z 435), (m/z 317), (m/z 299), (m/z 281)
4 18.30 27-hydroxywithanone C28H38O7 486 +ve 487 [C28H39O7]+ 487 – (m/z 429), (m/z 319), (m/z 297), (m/z 264)
5 20.70 dihydrowithaferin A C28H40O6 472 +ve 473 [C28H41O6]+ 473 – (m/z 301), (m/z 283)
6 20.94 withaferin A C28H38O6 470 –ve 469 [C28H37O6]- 469 – (m/z 451), (m/z 436), (m/z 311), (m/z 122)
7 22.45 withanoside V C40H62O14 766 +ve 767 [C40H63O14]+ 767 – (m/z 425), (m/z 407), (m/z 253)
8 24.09 12-deoxywithastramonolide C28H38O6 470 +ve 471 [C28H39O6]+ 471 – (m/z 171), (m/z 299)
9 25.80 withanolide A C28H38O6 470 –ve 469 [C28H37O6]- 469 – (m/z 451), (m/z 433), (m/z 283)
10 26.10 withanone C28H38O6 470 –ve 469 [C28H37O6]- 469 – (m/z 451), (m/z 433), (m/z 297)
11 30.65 withanolide B C28H38O5 454 +ve 455 [C28H39O5]+ 455 – (m/z 437), (m/z 327), (m/z 289), (m/z 261)