Table 2.
Peak | RT, min | Compound | Characteristic Ions 1, m/z | Calculated Elemental Composition 2 | HRMS-MS/MS Fragments (ESI+), m/z | Parent Scan of Aglycone Fragment 3 (ESI+), Ion, m/z | |
---|---|---|---|---|---|---|---|
[M + H]+ | [M − H]− | ||||||
1 | 6, 2 | Chlorogenic acid isomer | 355.103 | 353.085 | C16H18O9 | - | - |
2 | 9, 0 | Chlorogenic acid | 355.103 | 353.085 | C16H18O9 | - | - |
3 | 10, 0 | Chlorogenic acid isomer | 355.103 | 353.085 | C16H18O9 | - | - |
4 | 11, 1 | Quercetin 3-O-diglucoside | 627.153 | 625.138 | C27H30O17 | 465.100 | 627, 465 (303) |
303.049 | |||||||
5 | 15, 1 | Quercetin 3-O-galactosyl-rhamnoside | 611.159 | 609.142 | C27H30O16 | 449.108 | 611, 449 (303) |
303.050 | |||||||
6 | 16, 5 | Acylated quercetin diglycoside | 755.202 | 753.185 | C33H38O20 | 449.106 | 755, 449, (303) |
303.049 | |||||||
7 | 16, 9 | Rutin | 611.157 | 609.143 | C27H30O16 | 465.102 | 611, 465, (303) |
303.049 | |||||||
8 | 17, 2 | Hyperoside | 465.102 | 463.085 | C21H20O12 | 303.049 | 465 (303) |
9 | 17, 6 | Luteolin 7-O-glucoside | 449.107 | 447.089 | C21H20O11 | 287.054 | 449 (287) |
10 | 18, 0 | Acylated kaempferol diglycoside | 739.207 | 737.190 | C33H38O19 | 433.113 | 739, 433, (287) |
287.054 | |||||||
11 | 18, 5 | Acylated quercetin glycoside | 609.145 | 607.127 | C27H28O16 | 303.049 | 609 (303) |
12 | 18, 5 | Kaempferol 3-O-rutinoside | 595.163 | 593.331 | C27H30O15 | - | 595 (287) |
13 | 19, 5 | Apigenin 7-O-glucoside | 433.113 | 431.096 | C21H20O10 | 271.059 | 433 (271) |
14 | 20, 1 | Rosmarinic acid | - | 359.075 | C18H16O8 | - | - |
15 | 20, 3 | Acylated kaempferol glycoside | 593.146 | 591.133 | C27H28O15 | 287.056 | (287) |
16 | 22, 7 | Luteolin | 287.054 | 285.040 | C15H10O6 | - | - |
17 | 25, 2 | Apigenin | 271.058 | 269.045 | C15H10O5 | - | - |
1 HRMS data, 2 mass difference within ± 5 mDa, 3 m/z of aglycone fragment in brackets, bold—identified by comparison to reference compounds.