# | Rt (min) | m/z | Putative identification | Chemical formula | Error (ppm) |
---|---|---|---|---|---|
1 | 1.42 | 371.059 | Caffeoyl glucaric acid | C15H15O11 | -8.0 |
2 | 3.22 | 285.058 | Genistate xylopyranoside | C12H13O8 | -12.5 |
3 | 3.45 | 397.167 | Benzoyl ornithine glycoside | C18H25N2O8 | 13.5 |
4 | 4.13 | 658.154 | Glutathionyl-caffeoyl quinic acid | C26H32N3O15S | -1.7 |
5 | 4.70 | 431.153 | Benzyl alcohol dihexoside | C19H27O11 | -6.6 |
6 | 4.95 | 353.085 | Caffeoyl quinic acid | C16H17O9 | -7.9 |
7 | 5.30 | 353.084 | Caffeoyl quinic acid | C16H17O9 | -10.7 |
8 | 5.51 | 367.158 | Dihydroxy dimethoxy prenylchalcone | C22H24O5 | 7.9 |
9 | 6.40 | 401.140 | Benzoyl alcohol pentose glycoside | C18H25O10 | -13.2 |
10 | 6.79 | 385.110 | Sinapoyl glycoside | C17H21O10 | -10.4 |
11 | 7.52 | 387.163 | Hydroxyjasmonic acid glycoside | C18H28O9 | -7.8 |
12 | 8.38 | 476.155 | Unknown | C26H24N2O7 | -8.1 |
13 | 8.63 | 367.100 | Feruloyl quinic acid | C17H20O9 | -9.3 |
14 | 9.37 | 296.061 | Benzoyl oxindole acetic acid | C17H14NO4 | -10.9 |
15 | 9.86 | 245.090 | Acetyl tryptophan | C13H13N2O3 | -12.9 |
16 | 10.35 | 344.112 | Feruloyl noradrenaline | C18H18NO6 | -5.6 |
17 | 10.74 | 298.107 | Coumaroyl dopamine | C17H17NO4 | -4.9 |
18 | 10.99 | 444.165 | Coumaroyl tyramine glycoside | C17H17NO3 | 20.6 |
19 | 11.20 | 460.160 | Unknown | C23H26NO9 | -2.8 |
20 | 11.21 | 609.145 | Rutin | C27H30O16 | -1.8 |
21 | 11.75 | 490.170 | Feruloyl dopamine glycoside | C20H29NO13 | 27.3 |
22 | 12.97 | 328.117 | Feruloyl dopamine | C15H20NO8 | 1.9 |
23 | 13.00 | 349.183 | Acetyl feruloyl agmatine | C17H25N4O4 | -14.6 |
24 | 13.73 | 282.112 | Coumaroyl tyramine | C17H16NO3 | -5.5 |
25/6 | 13.81 | 677.282 | Unknown | C27H49O19 | -7.8 |
27 | 14.20 | 312.121 | Feruloyl tyramine | C18H18NO4 | -10.0 |
28 | 14.40 | 453.231 | Phosphatidyl glycerol (14:1(9Z)/0:0) | C20H38O9P | 11.2 |
29 | 14.59 | 1076.520 | Dehydrotomatine + FA* | C51H82NO23 | -7.7 |
30 | 14.83 | 1078.560 | α-Tomatine + FA* | C51H83NO23 | 14.8 |
31 | 15.02 | 423.184 | Phosphatidic acid (8:0/8:0) | C19H37O8P | 15.7 |
32 | 15.20 | 447.220 | Unknown | C21H35O10 | -7.9 |
33 | 15.25 | 423.221 | Phosphatidic acid (8:0/8:0) | C19H37O8P | 13.4 |
34 | 15.32 | 495.255 | Palmitoyl-glycero-phosphatidyl serine | C22H43NO9P | -14.3 |
35 | 16.25 | 495.257 | Palmitoyl-glycero-phosphatidyl serine | C22H43NO9P | -16.6 |
36 | 16.30 | 581.281 | Phosphatidyl inositol (17:2(9Z.12Z)/0:0) | C26H46O12P | 13.3 |
37 | 16.72 | 327.214 | Trihydroxyoctadecadienoic acid | C18H31O5 | -11.2 |
38 | 16.82 | 333.188 | Hydroxydecanoic acid rhamnoside | C16H29O7 | -11.6 |
39 | 17.41 | 329.231 | Trihydroxyoctadecenoic acid | C18H33O5 | -7.1 |