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. 2020 Aug 11;9(8):733. doi: 10.3390/antiox9080733

Table 2.

Phytochemical composition of the analyzed M. alba leaves.

Cmpd RT (min) m/z Exp Molecular Formula Tentative Identification Presence
I K F V
Organic Acids
2 1.9 191.0572 C7H11O6 Quinic acid + + + +
Benzoic Acids
3 5.1 315.0722 C13H15O9 Protocatechuic acid hexoside + + + +
4 5.6 459.1122 C19H23O13 Parishin E +
26 10.5 469.1704 C22H29O11 Rengyoside D +
28 10.8 135.0455 C8H7O2 Methyl salicyl aldehyde +
36 14.5 221.1179 C13H17O3 Hexyl salicylate + + + +
52 24.3 265.1448 C15H21O4 Gingerol + + + +
Cinnamic Acids
5 5.8 353.0881 C16H17O9 Neochlorogenic acid + + + +
7 6.6 353.0865 C16H17O9 Chlorogenic acid + + + +
8 6.7 353.0876 C16H17O9 Cryptochlorogenic acid + + + +
9 6.9 359.0758 C18H15O8 Rosemarinic acid + + + +
11 7.2 353.085 C16H17O9 Chlorogenic acid isomer + + + +
22 9.3 515.1186 C25H23O12 Caffeoylquinic acid hexoside +
31 12.1 207.0659 C11H11O4 Dimethoxy-cinnamic acid + + + +
32 12.6 163.0391 C9H7O3 Coumaric acid + + +
Flavonoids
6 6.2 625.1420 C27H29O17 Quercetin dihexoside + + + +
12 7.3 755.2031 C33H39O20 Kaempferol rutinoside hexoside +
14 7.7 609.1469 C27H29O16 Rutin isomer 1 + +
15 8.0 609.1467 C27H29O16 Rutin isomer 2 + + + +
17 8.4 463.0879 C21H19O12 Quercetin-3-glucoside + + + +
18 8.6 593.1510 C27H29O15 Kaempferol-3-o-rutinoside + + + +
19 8.7 505.0990 C23H21O13 Quercetin-3-O-(6-acetylglucoside) isomer 1 + + +
20 9.0 447.0908 C21H19O11 Kaempferol 3-o-glucoside + + + +
21 9.2 505.0997 C23H21O13 Quercetin-3-O-(6-acetylglucoside) isomer 2 + + +
23 9.4 489.1040 C23H21O12 Kaempferol-3-o-6″-o-acetyl-β-d glucopyranoside isomer 1 + + +
24 9.7 505.0997 C23H21O13 Quercetin-3-O-(6-acetylglucoside) isomer 3 + + +
25 10.0 489.1040 C23H21O12 Kaempferol-3-o-6″-o-acetyl-β-d glucopyranoside isomer 2 + + +
30 11.5 301.0357 C15H9O7 Quercetin + + + +
Fatty Acids
33 13.1 183.1398 C11H19O2 Undecenoic acid + + + +
34 13.7 309.2057 C18H29O4 Linoleic acid hydroperoxide isomer 1 + + + +
35 13.9 309.2057 C18H29O4 Linoleic acid hydroperoxide isomer 2 + + + +
37 15.7 309.2074 C18H29O4 Linoleic acid hydroperoxide isomer 3 + + + +
44 18.6 337.2356 C20H33O4 Dihydroxy eicosatrienoic acid +
46 19.2 293.2161 C18H29O3 Hydroxy octadecatrienoic acid isomer 1 + + +
47 19.5 293.2161 C18H29O3 Hydroxy octadecatrienoic acid isomer 2 + + +
48 20.6 291.1949 C18H27O3 Hydroxyperoxy octadecatrienoic acid + + +
49 20.9 561.3249 C28H49O11 Dioxo-penta-oxatritriacontanedioic acid +
50 21.2 295.2252 C18H31O3 Hydroxy octadecadienoic acid + + +
51 21.5 221.1530 C14H21O2 Myristic acid + + + +
55 29.4 277.2155 C18H29O2 Linolenic acid + + + +
56 33.0 279.2315 C18H31O2 Linoleic acid + + + +
Others
1 1.9 341.1100 C12H21O11 Sugar + + + +
13 7.6 481.1332 C22H25O12 Fumaroprotocetraric acid isomer 1 + + + +
16 8.3 481.1338 C22H25O12 Fumaroprotocetraric acid isomer 2 + +
42 17.7 593.2674 C30H41O12 Aceroside VIII + + +
54 27.1 555.2819 C28H43O11 Picrasinoside F +
Unknowns
10 7.1 431.1905 C20H31O10 Unk 1 +
27 10.5 459.2232 C22H35O10 Unk 2 +
29 11.2 357.0613 C18H13O8 Unk 3 +
38 16.0 721.3611 C34H57O16 Unk 4 + + + +
39 16.4 721.3620 C34H57O16 Unk 5 + + + +
40 17.0 562.3133 C26H36 N13O2 Unk 6 + + + +
41 17.4 552.2667 C24H42NO13 Unk 7 +
43 18.5 559.3124 C28H47O11 Unk 8 + + + +
45 18.9 559.3105 C28H47O11 Unk 9 + + + +
53 26.5 481.2502 C25H37O9 Unk 10 +

I: Italia; K: Kokuso; F: Filipina; and V: Valenciana Temprana. (+) Presence in the Methanolic extract.