Pick N° | Tr (min) | [M-H]− (m/z) | [2 M-H]− (m/z) | EC | Mass errors (ppm) | RDBeq | Fragment ions (m/z) | Tentative identification | References |
---|---|---|---|---|---|---|---|---|---|
1 | 2.30 | 311.0768 | C14H15O8 | 0.3 | 7.5 | 137.0236 93.0335 | caffeic acid 4-O-pentoside | [33] | |
2 | 2.38 | 311.0768 | C14H15O8 | 0.6 | 7.5 | 137.0236 93.0346 | caffeic acid 4-O-pentosside | [33] | |
3 | 2.60 | 341.0868 | C15H17O9 | 1.5 | 7.5 | 167.0317 | Caffeic acid 4-O-glucoside | [33] | |
4 | 2.80 | 353.0878 | C16H17O9 | 1.4 | 8.5 | 191.0558 173.0451 | caffeoylquinic acid | [34] | |
5 | 3.71 | 163.0386 | C9H7O3 | −5.5 | 6.5 | Coumaric acid | [14] | ||
6 | 6.21 | 207.0656 | C11H11O4 | −0.5 | 6.5 | 3.4-Dimethyl caffeic acid (DMCA) | [33] | ||
7 | 6.26 | 165.0543 | C9H9O3 | −5.5 | 5.5 | Phloretic acid | [34] | ||
8 | 10.332 | 477.3204 | C28H45O6 | −2.5 | 6.5 | 431.3155 415.2839 | Terpenoid derivative | ||
9 | 12.36 | 503.3375 | C30H47O6 | 0.4 | 7.5 | 487.3423 441.3373 | Triterpenoid | ||
10 | 12.42 | 487.3424 | C30H47O5 | 0.2 | 7.5 | Triterpenoid | |||
11 | 13.503 | 473.3275 | C29H45O5 | 1.7 | 7.5 | 411.3252 325.1831 | Triterpenoid | ||
12 | 13.7 | 469.3315 | C30H45O4 | −0.6 | 8.5 | 415.3215 325.1845 | Triterpenoid | ||
13 | 13.82 | 487.3419 | C30H47O5 | −0.8 | 7.5 | 425.3147 | Triterpenoid | ||
14 | 14.399 | 485.3278 | C30H45O5 | 2.3 | 8.5 | 471.3471 441.3362 | Triterpenoid | ||
15 | 14.57 | 487.3427 | C30H47O5 | 0.8 | 7.5 | 459.347 | Triterpenoid | ||
16 | 15.01 | 485.3278 | C30H45O5 | 0 | 8.5 | 433.3362 325.1843 | Triterpenoid | ||
17 | 15.07 | 471.3468 | C30H47O4 | 0.5 | 7.5 | 453.3362 427.357 | Maslinic or corosolic or cycloanostoic acid derivatives | ||
18 | 15.374 | 469.3315 | C30H45O4 | −0.6 | 8.5 | 425.3418 | Triterpenoid | ||
19 | 15.857 | 299.2596 | C18H35O3 | 0.3 | 1.5 | 3-hydroxystearic acid | |||
20 | 16.2 | 431.3159 | C27H43O4 | −0.5 | 6.5 | 369.3164 | Terpenoid derivative | ||
21 | 16.40 | 455.3513 | 911.7104 | C30H47O3 C60H95O6 | −2.4 -2.7 | 7.5 13.5 | Mangiferolic or isomangiferolic acids | ||
22 | 16.42 | 501.3576 | C31H49O5 | −0.8 | 7.5 | Triterpenoid | |||
23 | 16.46 | 469.3313 | 939.6696 | C30H45O4 C60H91O8 | −1.1 −2.7 | 8.5 13.5 | Ambolic acid | ||
24 | 16.63 | 453.3368 | 907.6818 | C30H45O3 C60H91O6 | −0.2 −0.2 | 8.5 15.5 | Mangiferonic acid | ||
25 | 16.91 | 471.347 | 943.7007 | C30H47O4 C60H95O8 | −0.8 −2.1 | 7.5 13.5 | 409.3465 | Maslinic or corosolic or cycloanostoic acid derivatives | |
26 | 17.17 | 471.3467 | C30H47O4 | −0.4 | 7.5 | 455.3512 393.3148 | Maslinic or corosolic or cycloanostoic acid derivatives | ||
27 | 17.38 | 471.3467 | C30H47O4 | −0.8 | 7.5 | 409.347 393.3148 | Maslinic or corosolic or cycloanostoic acid derivatives | ||
28 | 17.96 | 455.3525 | C30H47O3 | −2 | 7.5 | Mangiferolic or isomangiferolic acids | |||
29 | 18.02 | 457.3676 | 915.7413 | C30H49O3 C60H99O6 | −1.3 −2.1 | 6.5 11.5 | 457.3644 | Ocotillone isomer | [38] |