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. 2013 Sep 13;8(9):e71946. doi: 10.1371/journal.pone.0071946

Table 1. Identification of crocins in C. ancyrensis tepals and stigmas by UPLC-UV/MS.

Peak number Presence Tepals Stigmas R t (min) UV λmax (nm) Fragmentation pattern m/z Tentative identification
1 1.02 446, 475 (ES+) 1647.00, 999.00, 587.00, 325.00 Trans-Crocetin +8 gluc
2 1.14 447, 469 (ES+) 1485.00, 1461.50, 1299.50, 999.36 Trans-Crocetin +7 gluc
3 1.32 445,470 (ES−) 1323.51, 649.14, 975.35 Trans-Crocetin +6 gluc
4 1.60 442, 468 (ES+) 1648.00, 1145.10, 827.23, 651.25, 489.20, 325.11 Trans-Crocetin +8 gluc
5 1.90 444, 462 (sh) (ES+) 1297.00, 1135.37, 811.30, 487.16, 325.12 Trans-Crocetin +6gluc
6 1.99 328, 443, 468 (ES−) 1300.48, 975.36 Cis-Crocetin +6 gluc
7 2.23 327, 444, 468 (ES+) 1323.48, 1134.21 Cis-Crocetin +6 gluc
8 4.12 419 (ES−) 921.00, 624.00, 479.00 Trans-Crocetin +4 rham
9 4.36 328, 440, 470 (sh) (ES+) 1297.44, 1135.37, 973.33, 811.28, 649.22, 487.17, 325.11(ES−) 1623.53 Cis-Crocetin +8 gluc
10 4.71 428 (ES−) 1123.45 Trans-Crocetin +4 rham
11 6.95 443, (sh) (ES−) 975.35 Trans-Crocetin +4 Gluc
12 7.86 306, 414, 460 (ES−) 773.29 Cis-Crocetin +3 rham
13 8.31 328, 437, 470 (sh) (ES−) 1299.5, 975.45, 324.10 Cis-Crocetin +6 gluc
14 8.45 438, 462 (ES−) 1136.00, 975.36 Trans-Crocetin +5 gluc
15 8.47 429, 445 (ES−) 961.00 Trans-Crocetin +3 gluc +1 rham
16 8.96 436, 461 (ES−) 1255.43, 1103.53, 813.00 Trans-Crocetin +3 gluc +2 rham
17 9.17 312, 429, 450 (sh) (ES−) 1398.60, 973.29, 799.34 Cis-Crocetin +3 gluc +4 rham
18 9.35 312, 430 (ES−) 961.39, 647.20 Cis-Crocetin +3 gluc+1 rham
19 9.84 313, 418, 435 (sh) (ES−) 959.37 Cis-Crocetin +3 gluc +1 rham
20 9.96 312, 431 (ES−) 959.37 Cis-Crocetin +3 gluc +1 rham
21 10.18 313, 424 (ES−) 961.40 Cis-Crocetin +3 gluc +1 rham
22 10.35 435, 460 (ES−) 551.20, 324.10 Trans-Crocetin +2 gluc
23 10.63 426, 440 (sh) (ES−) 637.29, 324.10 Trans-Crocetin +1 gluc +1 rham

Data from negative and positive mode.