Table 1.
No. | Name | Formula | Rt | [M + H]+ | [M − H]− | Methanol | Dichloromethane |
---|---|---|---|---|---|---|---|
1 1 | Citric acid | C6H8O7 | 2.57 | 191.01918 | ++ | + | |
2 1 | Gallic acid (3,4,5-Trihydroxybenzoic acid) | C7H6O5 | 3.25 | 169.01370 | + | - | |
3 | Gallic acid sulfate | C7H6O8S | 3.55 | 248.97051 | + | - | |
4 2 | 3-O-Methylgallic acid-5-O-sulfate | C8H8O8S | 8.69 | 262.98616 | + | - | |
5 | Uralenneoside | C12H14O8 | 11.09 | 285.06105 | + | - | |
6 | (Trihydroxyphenyl)propanoic acid hexoside-O-sulfate | C15H20O13S | 11.80 | 439.05464 | + | - | |
7 | Benzylhexose sulfate | C13H18O9S | 11.95 | 349.05933 | + | - | |
8 | Dihydroxy-methoxybenzoic acid | C8H8O5 | 12.13 | 183.02935 | + | - | |
9 | Feruloylhexose sulfate | C16H20O12S | 12.50 | 435.05972 | + | - | |
10 | Caffeoylhexose sulfate | C15H18O12S | 12.79 | 421.04408 | + | - | |
11 | Caffeic acid sulfate | C9H8O7S | 13.89 | 258.99125 | + | - | |
12 | Coumaroylhexose sulfate | C15H18O11S | 13.92 | 405.04916 | + | - | |
13 | p-Coumaric acid 4-O-sulfate | C9H8O6S | 14.26 | 242.99634 | + | - | |
14 | Unidentified sulfate (Vanillin derivative) | C20H22O9S | 15.11 | 437.09063 | + | - | |
15 | Butenylpyrocatechol sulfate or isomer | C10H12O5S | 15.54 | 243.03272 | ++ | + | |
16 | Phenylethylhexose sulfate | C14H20O9S | 15.71 | 363.07498 | ++ | + | |
17 | 12-Hydroxyjasmonic acid sulfate or Tuberonic acid sulfate | C12H18O7S | 16.19 | 305.06950 | + | - | |
18 | Caffeoylpentose sulfate | C14H16O11S | 16.40 | 391.03351 | + | - | |
19 | Ferulic acid 4-O-sulfate | C10H10O7S | 16.51 | 273.00690 | + | - | |
20 | Butanoylpyrocatechol sulfate or isomer | C10H14O5S | 16.69 | 245.04837 | ++ | + | |
21 | Lyoniresinol sulfate | C22H28O11S | 17.59 | 499.12741 | + | - | |
22 | Lariciresinol or isomer sulfate | C20H24O9S | 18.21 | 439.10628 | + | - | |
23 | Isololiolide | C11H16O3 | 18.54 | 197.11777 | + | ++ | |
24 | Loliolide | C11H16O3 | 19.75 | 197.11777 | + | ++ | |
25 | 3-O-Methylellagic acid-4′-O-glucoside | C21H18O13 | 21.30 | 477.06692 | + | - | |
26 | 3,3′-Di-O-methylellagic acid-4-O-glucoside | C22H20O13 | 21.76 | 491.08257 | + | - | |
27 | Isorhamnetin-O-pentosylhexoside | C27H30O16 | 21.99 | 609.14556 | + | - | |
28 | N-cis-Feruloyltyramine | C18H19NO4 | 22.28 | 314.13924 | + | ++ | |
29 | Ellagic acid | C14H6O8 | 22.79 | 300.99845 | + | - | |
30 | 3-O-Methylellagic acid-4-O-sulfate | C15H8O11S | 24.10 | 394.97091 | + | - | |
31 | Kaempferol sulfate isomer 1 | C15H10O9S | 24.53 | 364.99673 | + | - | |
32 | N-trans-Feruloyltyramine | C18H19NO4 | 24.55 | 314.13924 | + | ++ | |
33 | 3,3′-Di-O-methylellagic acid-4-O-sulfate | C16H10O11S | 24.82 | 408.98656 | + | - | |
34 | 3-O-Methylellagic acid | C15H8O8 | 25.19 | 315.01410 | + | - | |
35 | N1,N5,N10-Tricoumaroylspermidine isomer 1 | C34H37N3O6 | 26.22 | 582.26042 | ++ | + | |
36 | Dihydroactinidiolide | C11H16O2 | 26.58 | 181.12286 | + | ++ | |
37 | Kaempferol sulfate isomer 2 | C15H10O9S | 26.60 | 364.99673 | + | - | |
38 | 3,3′,4-Tri-O-methylellagic acid-4′-O-sulfate | C17H12O11S | 26.99 | 423.00221 | ++ | + | |
39 | N1,N5,N10-Tricoumaroylspermidine isomer 2 | C34H37N3O6 | 27.25 | 582.26042 | + | - | |
40 | 3,3′-Di-O-methylellagic acid | C16H10O8 | 27.45 | 329.02975 | + | ++ | |
41 | N1,N5,N10-Tricoumaroylspermidine isomer 3 | C34H37N3O6 | 28.10 | 582.26042 | + | - | |
42 | N1,N5,N10-Tricoumaroylspermidine isomer 4 | C34H37N3O6 | 28.86 | 582.26042 | + | - | |
43 | 3,3′,4-Tri-O-methylellagic acid | C17H12O8 | 29.90 | 343.04540 | + | - | |
44 | Malyngic acid | C18H32O5 | 32.28 | 327.21715 | + | ++ | |
45 | Hydroxyoctadecatrienoic acid isomer 1 | C18H30O3 | 39.73 | 293.21167 | - | + | |
46 | Hydroxyoctadecatrienoic acid isomer 2 | C18H30O3 | 39.95 | 293.21167 | - | + | |
47 | Oxophytodienoic acid | C18H28O3 | 40.00 | 291.19603 | - | + | |
48 | Hexadecanedioic acid | C16H30O4 | 40.53 | 285.20659 | - | + | |
49 | Hydroxyoctadecatrienoic acid isomer 3 | C18H30O3 | 41.11 | 293.21167 | - | + | |
50 | Hydroxyoctadecadienoic acid | C18H32O3 | 41.16 | 295.22732 | - | + | |
51 | Pheophytin A | C55H74N4O5 | 62.57 | 871.57375 | + | ++ |
HPLC-ESI-MS/MS: high-performance liquid chromatography coupled with electrospray ionization mass spectrometry. Rt: retention time. +: Presence; ++: Presence in higher abundance; -: Absence. 1 Confirmed by standard. 2 Hussein [15].