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. 2019 Aug 3;8(8):265. doi: 10.3390/plants8080265

Table 5.

Liquid chromatography-tandem mass spectrometry (LC–MS/MS) of ethyl acetate fraction of Azorella glabra.

Peak No. RT (min) [M-H]− Observed m/z [M-H]−Calculated m/z Molecular Formula MS/MS Tentative Identity mg/g DW References
1 3.17 353.0888 353.0873 C16H18O9 191, 173, 135, 127, 93, 85 Chlorogenic acid 7.12 ± 0.83 [25]
2 6.48 427.1980 427.1968 C21H32O9 367, 327, 297, 285, 179, 161, 135, 101, 73, 61, 59 Methyl chlorogenate derivative nq [26]
3 6.64 463.0859 463.0877 C21H20O12 300, 271, 255, 179, 151 Quercetin-3-O-glucoside 0.07 ± 0.00 [26,27]
4 6.68 447.0918 447.0927 C21H20O11 357, 339, 327, 311, 299, 297, 285, 269, 253, 191, 175, 149, 133, 109 Iso-orientin 13.22 ± 1.43 [28]
5 6.84 447.0910 447.0927 C21H20O11 357, 339, 327, 311, 299, 297, 285, 269, 253, 191, 175, 149, 133, 109 Orientin 104.22 ± 4.01 [28]
6 6.92 367.1038 367.1029 C17H20O9 191, 179, 161, 107 Chlorogenic acid methyl ester 12.33 ± 0.04 [26]
7 7.14 515.1180 515.1190 C25H24O12 353, 179 Cynarin isomer 0.15 ± 0.03 [29]
8 7.41 447.0921 447.0927 C21H20O11 285, 151 Luteolin-7-O-glucoside 0.65 ± 0.10 [30]
9 7.67 515.1411 515.1401 C22H28O14 353, 191, 179, 173, 161, 135 Chlorogenic acid glucoside nq
10 7.83 515.1197 515.1190 C25H24O12 353, 335, 191, 179, 161, 135 3,5-di-O-caffeoyl quinic acid 44.70 ± 4.14 [26]
11 8.07 515.1209 515.1190 C25H24O12 353, 179, 173, 135, 93 3,4-di-O-caffeoyl quinic acid 23.12 ± 1.64 [26]
12, 13, 14, 16 8.49, 8.86, 9.12, 9.56 529.1365 529.1346 C26H26O12 367, 349, 191, 179, 161, 135 Feruloyl-caffeoylquinic acid isomers nq [23]
15 9.32 285.0380 285.0399 C15H10O6 151, 133 Luteolin 0.39 ± 0.01 [25]
17 9.98 325.1651 325.1651 C17H26O6 281, 263, 235, 219, 203, 191, 151, 111, 83, 59 Unknown nq
18 10.55 853.4720 853.4738853.4679 C48H70O13C55H66O8 584, 513, 191, 179, 161, 135, 119, 113, 101, 89, 85, 71, 59 Caffeoylquinic acid derivative nq
19 10.97 649.3929 649.3952 C36H58O10 407, 191, 129, 113, 85, 75 Unknown nq
20 11.37 691.4073 691.4057 C38H60O11 631, 191, 113, 85, 95 Unknown nq
21 11.87 867.4739 867.4742 C45H72O16 513, 408, 333, 285, 191, 179, 173, 153, 139, 89 Unknown nq
22 14.14 391.1744 391.1757 C21H28O7 391, 347, 305, 287, 259, 245, 217, 165 Unknown nq
23 15.17 677.3729 677.3748 C33H58O14 415, 397, 279, 179, 161, 119, 101 Unknown nq
24 15.46 504.3098 504.3087 C29H45O7 279, 242, 224, 168, 153, 79, 59 Unknown nq
25 15.76 426.9764 426.9785 C15H8O15 407, 387, 293, 283, 255, 217, 81 Unknown nq
26 16.22 480.3083 480.3087 C27H45O7 255, 242, 224, 168, 153, 79 Unknown nq
27 16.95 579.3354 579.3381 C28H52O12 269, 255, 89 Unknown nq
28 18.10 553.3193 553.3165 C33H46O7 523, 345, 97, 84, 73 Unknown nq
29 21.16 455.3539 455.3525 C30H48O3 407, 377 Oleanolic acid 0.23 ± 0.05 [31]

Identification of compounds based on m/z, fragmentation pattern and retention time of standards. Quantities of the detected compounds were determined using commercial standards; nq = not quantified.