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. 2022 Oct 29;11(21):2910. doi: 10.3390/plants11212910

Table 2.

Metabolite profiling of extracts from Cladium mariscus (sawgrass) seeds by HPLC-ESI-MS/MS.

Nº Name Formula RT [M + H]+ [M − H]− Water Acetone Aq.
Acetone		 Ethanol Aq.
Ethanol
1 1 Quinic acid C7H12O6 2.00 191.05557 + + + + +
2 Malic acid C4H6O5 2.17 133.01370 + + + + +
3 1 Shikimic acid C7H10O5 2.29 173.04500 + + + + +
4 Nicotinamide C6H6N2O 2.44 123.05584 + + + + +
5 Citric acid C6H8O7 2.57 191.01918 + + + + +
6 1 Gallic acid (3,4,5-Trihydroxybenzoic acid) C7H6O5 3.33 169.01370 + + + + +
7 Gallocatechin C15H14O7 5.74 305.06613 - + + + +
8 Procyanidin C isomer 1 C45H38O18 4.11 865.19799 + - - - -
9 Trihydroxybenzoic acid C7H6O5 5.84 169.01370 + + + + +
10 Protocatechuic acid (3,4-Dihydroxybenzoic acid) C7H6O4 5.96 153.01879 + + + + +
11 Vanilloylhexose C14H18O9 7.81 329.08726 + + + + +
12 Hydroxybenzoic acid isomer 1 C7H6O3 9.37 137.02387 + + + + +
13 Hydroxybenzoic acid isomer 2 C7H6O3 10.42 137.02387 + + + + +
14 Procyanidin B isomer 1 C30H26O12 11.19 577.13460 + + + + +
15 Uralenneoside C12H14O8 11.24 285.06105 + + + + +
16 Procyanidin B isomer 2 C30H26O12 12.41 577.13460 + + + + +
17 Hydroxybenzaldehyde C7H6O2 12.96 123.04461 + + + + +
18 Benzoic acid C7H6O2 12.97 121.02896 - - + - -
19 Procyanidin C isomer 2 C45H38O18 13.31 865.19799 + - - - -
20 1 Epigallocatechin C15H14O7 13.52 305.06613 - + + + +
21 1 Catechin C15H14O6 13.57 289.07121 + + + + +
22 Vanillic acid (4-Hydroxy-3-methoxybenzoic acid) C8H8O4 14.06 167.03445 + + + + +
23 1 Chlorogenic acid (3-O-Caffeoylquinic acid) C16H18O9 14.38 355.10291 + + + + +
24 Caffeic acid C9H8O4 14.63 179.03444 + + + + +
25 Procyanidin B isomer 3 C30H26O12 15.21 577.13460 + - + - +
26 1 Vanillin (4-Hydroxy-3-methoxybenzaldehyde) C8H8O3 15.91 153.05517 + + + + +
27 Procyanidin B isomer 4 C30H26O12 16.92 577.13460 + - + - +
28 Unidentified glucoside C14H24O10 17.06 351.12912 + - + - +
29 Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde) C9H10O4 17.45 183.06574 + + + + +
30 1-Benzofuranecarbaldehyde C9H6O2 17.90 147.04461 + + + + +
31 1 4-Coumaric acid C9H8O3 17.94 163.03952 + + + + +
32 Caffeoylshikimic acid C16H16O8 17.97 335.07670 + - - - -
33 1 Taxifolin (Dihydroquercetin) C15H12O7 19.25 303.05048 + + + + +
34 Scytalone or isomer C10H10O4 19.32 195.06574 + + + + +
35 1 Ferulic acid C10H10O4 19.34 193.05009 + + + + +
36 Isoorientin (Luteolin-6-C-glucoside) C21H20O11 20.36 449.10839 - + + + +
37 Cudranin (Oxyresveratrol) C14H12O4 20.38 245.08139 - + + + +
38 Sinapyl aldehyde (3,5-Dimethoxy-4-hydroxycinnamaldehyde) C11H12O4 20.42 209.08139 - + - + -
39 Isoferulic acid C10H10O4 20.51 193.05009 + - - + -
40 Isovitexin (Apigenin-6-C-glucoside) C21H20O10 21.98 433.11348 + + + + +
41 Luteolin-O-hexoside C21H20O11 22.06 447.09274 - + + + +
42 1 Isoquercitrin (Quercetin-3-O-glucoside) C21H20O12 22.56 463.08765 - + + + +
43 1 Resveratrol C14H12O3 22.83 229.08647 - + + + +
44 Luteolin-C-pentoside C20H18O10 23.13 419.09783 - + - - -
45 Lumichrome C12H10N4O2 23.80 243.08821 + - + - +
46 Methoxy-trihydroxy(iso)flavone isomer 1 C16H12O6 24.34 299.05556 + + + + +
47 N-trans-Feruloyltyramine C18H19NO4 24.53 314.13924 + + + + +
48 Azelaic acid (Nonanedioic acid) C9H16O4 24.63 187.09704 + + + + +
49 1 Eriodictyol (3′,4′,5,7-Tetrahydroxyflavanone) C15H12O6 24.89 287.05556 + + + + +
50 Pentahydroxy(iso)flavone C15H10O7 25.40 303.05048 - + + + +
51 Methoxy-pentahydroxy(iso)flavone C16H12O8 25.56 331.04540 - + + + +
52 Tetrahydroxyxanthone C13H8O6 25.84 259.02427 - + + - +
53 Methoxy-trihydroxy(iso)flavone isomer 2 C16H12O6 26.01 299.05556 + + + + +
54 Methoxy-trihydroxy(iso)flavone isomer 3 C16H12O6 26.38 299.05556 - + + + +
55 1 Quercetin (3,3′,4′,5,7-Pentahydroxyflavone) C15H10O7 26.72 301.03483 + + + - +
56 1 Luteolin (3′,4′,5,7-Tetrahydroxyflavone) C15H10O6 27.55 285.03991 + + + + +
57 Methoxy-trihydroxy(iso)flavone isomer 4 C16H12O6 27.70 299.05556 - + + + +
58 Sebacic acid (Decanedioic acid) C10H18O4 28.11 201.11268 + + + + +
59 1 Apigenin (4′,5,7-Trihydroxyflavone) C15H10O5 29.44 269.04500 + + + + +
60 Dimethoxy-tetrahydroxy(iso)flavone C17H14O8 29.51 345.06105 - + + + +
61 Dimethoxy-trihydroxy(iso)flavone isomer 1 C17H14O7 29.57 329.06613 - + - + -
62 Chrysoeriol (3′-Methoxy-4′,5,7-trihydroxyflavone) C16H12O6 29.63 299.05556 + + + + +
63 Dimethoxy-trihydroxy(iso)flavone isomer 2 C17H14O7 30.45 329.06613 - + - + -
64 Undecanedioic acid C11H20O4 31.02 215.12834 + + + + +
65 Dimethoxy-trihydroxy(iso)flavone isomer 3 C17H14O7 31.36 329.06613 - + - + -
66 Hydroxydodecenoic acid C12H22O3 32.47 213.14907 + + + + +
67 Pinellic acid C18H34O5 33.61 329.23280 + - + + +
68 Hydroxyoctadecadienoic acid C18H32O3 41.09 295.22732 + + + + +
69 1 α-Linolenic acid C18H30O2 44.82 277.21676 - + + + +
70 2-Hydroxyhexadecanoic acid C16H32O3 45.11 271.22732 - + + + +
71 1 Linoleic acid C18H32O2 45.81 279.23241 + + + + +
72 1 Oleic acid C18H34O2 46.89 281.24806 + + + + +

1 Confirmed by standard. + compound present; - compound not present.