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. 2021 Aug 30;6(36):23460–23474. doi: 10.1021/acsomega.1c03470

Table 6. Summary of Chemical Constituents Identified in the Standardized Botanical Supplement by LC–MS/MS.

              m/z observed
 
sr.no. retention time (Rt) Rf max)a peak number MFb MWc +ve mode –ve mode references
1 2.943   208 AP1 unknown   349, 367 345, 355  
2 3.115   212 AP2 unknown   348, 370    
3 3.640   225, 262 AP3 C16H24O8 344 345, 367   (30)
4 3.866   231, 286 AP4 C16H28O8 348 371, 387 391 (30)
5 3.982     FL5 kaempferol-3.7.4′-triglucoside 773 773, 795 771, 817 (30, 35, 36)
6 4.121   238 AP6 C20H30O13 478 501 523 (30)
7 4.367   241 AP7 C20H30O13 478 501   (30)
8 4.648   245 AP8 unknown 434 435, 467    
9 4.821   245 AP9 C20H30O13 332 355, 371 377  
10 5.013   242 AP10 (C16H26O8) 346 369, 385, 410 391, 417 (30)
11 5.400   249 AP11-12 C14H20O8 316 355, 317, 339 361, 429 (30)
12 5.596   248 AP13 C22H36O12 492 515 537 (30)
13 6.019   248 AP14 unknown 360 383 473  
14 6.680   247 AP15 unknown 330 353, 376, 365, 443  
15 6.901   254 AP16 unknown 343 366, 406 387  
16 7.172 0.63 250 AP17 picrocrocin 330 353, 369, 399 376, 365, 443 (30, 36)
17 7.563   244, 262 CR18 unknown 453 454, 476 565, 497, 566  
18 7.856 0.53 442 FL19 kaempferol-3-sophoroside 610 611, 633 609, 610, 655 (30, 38, 39)
19 8.119   439 CR20 trans-5-tG-crocin 1138 329, 635, 1161 1183 (35, 38)
20 8.273   418, 436 CR21 trans-5-nG-crocin 1138 329, 635, 1161 1183 (28, 30)
21 8.530 0.16 440, 463 CR22 trans-4-GG-crocin 976 329, 681, 999, 723, 533, 1021 (2830, 36, 37, 40)
22 8.725   439, 462 CR23 unknown   794, 816    
23 8.925 0.33 437 CR24 trans-3-Gg-crocin 814 837, 832, 814, 815 859, 860, 849 (2830, 36, 40)
24 9.28   440, 463 CR25 cis-5-tG-crocin 1138   1138 (48)
25 9.446   436 CR26 trans-2-G-crocin 652 329, 547, 675, 837 697, 765, 249 (28, 30, 37, 39, 40)
26 9.516   434 CR27 cis-5-nG-crocin 1138 329, 625, 837, 1139   (30, 43)
27 9.786   431 CR28 cis-4-GG-crocin 976 329, 508, 697, 735, 999 651, 975, 1089 (30, 37, 40, 43)
28 10.259   434, 457 CR29 trans-2-gg-crocin 652 329, 651, 675, 691 697, 651, 698 (30, 3840)
29 10.279   433, 456 CR30 cis-3-Gg-crocin 814 329, 837, 675 697, 765, 859 (28, 30, 33, 37)
30 10.880   252, 427 CR31 cis-2G-crocin 652 329, 541, 675 563, 631, 517 (30, 37, 40)
31 11.122   251, 426 CR32 trans-1-g-crocin 490 554, 329, 513 535, 525, 681 (28, 30, 40)
32 11.370   255, 432 CR33 cis-2-gg-crocin 652 274, 329, 675   (28, 30, 39)
33 11.984     FL34 dihydro kaempferol 288 288, 330 286, 354  
34 13.486   425, 450 CR35 trans-crocetin 328 329, 594   (28, 30, 36, 43)
35 14.146   265 AP36 safranal 150 151, 192   (28, 30, 36, 39)
a

Wavelength.

b

Molecular formula.

c

Molecular weight.