Table 4.
Metabolites putatively identified in the MeOH extract of C. sativa (Marrone di Roccadaspide) chestnuts.
| N. | Compound | Rt (min) | Molecular Formula | [M-H]− | [(M+FA)-H]− | Delta (ppm) | Product ions (m/z) |
|---|---|---|---|---|---|---|---|
| 60 | Ellagic acid # | 7.28 | C14H6O8 | 300.9989 | 0.47 | 284, 257, 229, 201, 185, 145 | |
| 90 | l-PI (18:2) | 19.06 | C27H49O12P | 595.2880 | 0.28 | 415, 315, 279, 241, 223 | |
| 93 | l-PI (16:0) | 19.11 | C25H49O12P | 571.2883 | 0.95 | 391, 315, 255, 241, 223 | |
| 95 | NA-GPE (18:2) | 19.28 | C23H44O7NP | 476.2774 | 0.43 | 402, 384, 214, 171, 153 | |
| 97 | SQMG (18:2) | 19.62 | C27H48O11S | 579.2836 | 0.36 | 299, 279, 225 | |
| 98 | SQMG (16:0) | 19.68 | C25H48O11S | 555.2839 | 1.05 | 299, 255, 225 | |
| 129 | NA-GPE (18:1) | 19.89 | C23H46O7NP | 478.2931 | 0.57 | 404, 386, 171, 153 | |
| 130 | l-PG (18:2) | 20.06 | C24H45O9P | 507.2719 | 0.26 | 415, 279, 245, 227, 153 | |
| 101 | l-PG (16:0) | 20.17 | C22H45O9P | 483.2722 | 0.86 | 391, 255, 245, 227, 153 | |
| 131 | SQMG (18:1) | 20.17 | C27H50O11S | 581.2994 | 0.64 | 563, 299, 281, 225 | |
| 100 | DGMG (18:3) | 20.52 | C33H56O14 | 675.3587 | 721.3639 | 0.10 | 397 |
| 132 | Bartogenic acid # | 20.69 | C30H46O7 | 517.3163 | 0.58 | 499, 455, | |
| 102 | l-PG (18:1) | 20.80 | C24H47O9P | 509.2878 | 0.81 | 417, 281, | |
| 133 | DGMG (18:2) | 21.20 | C33H58O14 | 677.3751 | 723.3796 | 1.15 | 415, 397, 235 |
| 134 | DGMG (16:0) | 21.31 | C31H58O14 | 653.3751 | 699.3802 | 1.19 | 415, 397, |
| 103 | l-PA (18:3) | 21.65 | C21H37O7P | 431.2193 | 0.03 | 413, 153 | |
| 135 | DGMG (18:1) | 22.11 | C33H60O14 | 679.3905 | 725.3952 | 0.83 | 415, 397, 235 |
| 104 | l-PC (16:0) | 22.45 | C24H50O7NP | 540.3297 | 0.21 | 480, 255 | |
| 105 | l-PA (18:2) | 22.51 | C21H39O7P | 433.2351 | 0.40 | 415, 279, 153 | |
| 107 | l-PA (16:0) | 22.74 | C19H39O7P | 409.2352 | 0.50 | 391, 255, 153 | |
| 136 | l-PEth (18:2) | 23.42 | C23H43O7P | 461.2664 | 0.33 | 415, 279, 181 | |
| 137 | l-PEth (16:0) | 23.71 | C21H43O7P | 437.2661 | −0.43 | 255, 181 | |
| 111 | l-PA (18:1) | 23.77 | C21H41O7P | 435.2508 | 0.47 | 417, 391, 281, 153 | |
| 138 | MGMG (18:2) | 24.97 | C27H48O9 | 515.3218 | 561.3273 | 0.74 | 279, 253, 235 |
| 139 | MGMG (16:0) | 25.20 | C25H48O9 | 491.3215 | 537.3274 | 0.08 | 255, 253, 235 |
| 140 | l-PEth (18:1) | 24.97 | C23H45O7P | 463.2822 | 0.55 | 281, 181 | |
| 141 | MGMG (18:1) | 26.69 | C27H50O9 | 517.3375 | 563.3439 | 0.68 | 281, 253, 235 |
| 122 | GlyCer (t18:1; h16:0) | 41.88 | C40H77O10N | 730.5461 | 776.5514 | −0.40 | 568, 550, 326, 271 |
| 142 | SQDG (16:0; 18:2) | 43.48 | C43H78O12S | 817.5129 | −0.10 | 723, 561, 537, 279, 225 | |
| 143 | SQDG (16:0; 18:2) | 44.50 | C43H78O12S | 817.5147 | 2.06 | 723, 561, 537, 279, 255, 225 | |
| 144 | PE (18:3, 18:2) | 44.88 | C41H72O8NP | 736.4924 | 1.70 | 458, 456, 279, 277, 255 | |
| 124 | GlyCer (d18:2; h16:0) | 45.44 | C40H75O9N | 712.5363 | 758.5417 | 0.72 | 550, 532, 312, 296, 271, 253, 225 |
| 145 | SQDG (16:0; 18:1) | 46.33 | C43H80O12S | 819.5280 | −0.80 | 563, 537, 281, 255, 225 | |
| 146 | PE (16:0; 18:3) | 46.22 | C39H72O8NP | 712.4899 | −1.76 | 456, 277, 255 | |
| 147 | PE (18:2; 18:2) | 46.81 | C41H74O8NP | 738.5067 | −0.16 | 476, 458, 279 | |
| 148 | DGDG (18:2; 18:2) | 48.10 | C51H88O15 | 939.6033 | 985.6087 | −0.66 | 677, 659, 415, 397, 279 |
| 149 | PG (16:0;18:2) | 48.31 | C40H75O10P | 745.5022 | 1.06 | 507, 489, 483, 465, 415, 391, 279, 255 | |
| 150 | PE (16:0; 18:2) | 48.85 | C39H74O8NP | 714.5063 | −0.76 | 458, 434, 279, 255 | |
| 151 | PE (18:2; 18:1) | 49.28 | C41H76O8NP | 740.5226 | 0.13 | 478, 476, 460, 458, 281, 279 | |
| 152 | MGDG (16:0; 12:2) | 50.44 | C37H66O10 | 669.4580 | 1.17 | 499, 431, 413, 255 |
# The identification of this compound was corroborated by comparison with standards.