Table 1.
No. | RT (min) | Precursor Ion [M–H]- | Ion Formula | Negative Ions MS2 m/z (% in MS) | Structural Assignment | Extracts | |||
---|---|---|---|---|---|---|---|---|---|
SLE- EtOH |
SLE- H2O |
PLE- EtOH |
PLE- H2O |
||||||
1 | 0.5 | 133.0131 a | C4H5O5 | - | Malic acid | + | + | + | + |
2 | 0.59 | 191.0186 a | C6H7O7 | - | Citric acid | + | + | + | + |
3 | 0.65 | 117.0182 a | C4H5O4 | - | Succinic acid | + | + | + | + |
4 | 0.72 | 191.0550 | C7H11O6 | - | Quinic acid | + | + | + | + |
5 | 2.35 | 289.0716 a | C15H13O6 | - | Catechin | + | - | + | + |
6 | 2.55 | 325.0925 b,c | C15H17O8 | 145.0291 (50.3) | p-coumaric acid hexoside | + | - | + | + |
7 | 2.95 | 431.0979 b,c | C21H19O10 | 147.0075 (4.7) 241.0498 (10.2) 269.0448 (100) |
Apigenin-7-glucoside | + | - | + | - |
8 | 3.65 | 163.0402 a | C9H7O3 | - | p-coumaric acid | + | + | + | + |
9 | 3.95 | 447.0571 b,c | C20H15O12 | 300.9986 (100) | Quercetin-3-rhamnoside | + | + | + | + |
10 | 4.15 | 300.9987 a | C14H5O8 | - | Ellagic acid | + | + | + | + |
11 | 4.35 | 477.0674 a,b | C14H17O13 | 301.0356 (100) 151.0035 (8.4) |
Quercetin-3-glucuronide | + | + | + | + |
12 | 4.75 | 447.0931 b,c | C21H19O11 | 285.0374 (100) | Kaempferol-hexoside | + | + | + | + |
13 | 4.85 | 461.07726 a,b | C21H17O12 | 285.0372 (100) | Kaempferol-3-glucuronide | + | + | + | + |
14 | 5.1 | 137.0243 b,c | C7H5O3 | - | Hydroxybenzoic acid | + | + | + | + |
15 | 5.6 | 593.1297 a,b | C30H25O13 | 145.0303 (9.3) 285.0420 (100) 447.0932 (49.5) |
Tiliroside | + | + | + | + |
a Confirmed by a standard; b Confirmed by comparison with the literature data; c Confirmed by parent ion mass using open access chemical databases (Chemspider, MetFusion).