Table 2.
Polar lipids putatively identified in fresh and roasted “Nocciola Piemonte” extracts by using a RP-C4 column for the chromatographic separation.
| n° | Compound | Rt (min) | Molecular Formula |
[M-H]- | [(M+FA)-H]- | Error (ppm) |
Characteristic product ions | NPR | NPF |
|---|---|---|---|---|---|---|---|---|---|
| 72 | l-PG (16:0) | 12.57b | C22H45O9P | 483.2722 | -1.29 | 391, 255, 245, 227, 153 | – | + | |
| 73 | l-PA (18:2) | 12.88b | C21H39O7P | 433.2349 | -0.11 | 415, 279, 153, 135 | + | + | |
| 74 | l-PG (16:0) | 12.93b | C22H45O9P | 483.2722 | 0.86 | 391, 255, 245, 227, 153 | + | + | |
| 75 | l-PG (18:1) | 13.29b | C24H47O9P | 509.2874 | -0.03 | 417, 281, 245, 227, 153 | + | + | |
| 76 | l-PG (18:1) | 13.54b | C24H47O9P | 509.2870 | -0.86 | 417, 281, 245, 227, 153 | + | + | |
| 77 | l-PA (18:2) | 13.59b | C21H39O7P | 433.2350 | 0.12 | 415, 279, 153, 135 | + | + | |
| 78 | l-PA (18:1) | 13.75b | C21H41O7P | 435.2500 | -1.42 | 417, 281, 153, 135 | – | + | |
| 79 | l-PA (16:0) | 14.06b | C19H39O7P | 409.2359 | 2.21 | 391, 255, 153 | – | + | |
| 80 | l-PA (18:1) | 14.67b | C21H41O7P | 435.2504 | -0.43 | 417, 281, 153, 135 | – | + | |
| 81 | PI (18:2-1O;16:0) | 19.78a | C43H79O14P | 849.5112 | -1.34 | 831, 687, 593, 553, 431, 391, 315, 295, 255, 241 | + | - | |
| 82 | PI (18:2-1O;18:1) | 20.50a | C45H81O14P | 875.5273 | -0.84 | 857, 713, 611, 593, 579, 431, 417, 315, 295, 281 | + | – | |
| 83 | PI (18:1;18:2-1O) | 22.29a | C45H81O14P | 875.5299 | 2.16 | 713, 611, 593, 579, 431, 417, 315, 297, 295, 281 | + | – | |
| 84 | PI (18:2;16:1) | 23.67a | C43H77O13P | 831.5022 | 0.49a | 577, 569, 551, 389, 297, 279, 253, 241 | + | + | |
| 85 | PI (18:3; 16:0) | 23.73a | C43H77O13P | 831.5030 | 1.46 | 575, 389, 277, 255, 241 | + | + | |
| 86 | PI (18:2;18:2) | 24.34a | C45H79O13P | 857.5177 | 0.26 | 595, 577, 433, 415, 315, 297, 279, 241 | + | + | |
| 87 | GlcCer (d18:2; h16:0) | 24.76a | C40H75O9N | 712.5353 | -0.74 | 550, 532, 271, 225; MS3(550): 532, 314, 312, 296, 271, 270, 253, 235, 225 | + | + | |
| 88 | PI (16:0;18:2) | 25.48a | C43H79O13P | 833.5174 | -0.09 | 595, 577, 571, 553, 415, 391, 315, 297, 279, 255, 241 | + | + | |
| 89 | PI (18:1;18:2) | 26.63a | C45H81O13P | 859.5334 | 0.35 | 597, 595, 579, 577, 435, 417, 315, 297, 281, 279, 241 | + | + | |
| 90 | PI (16:0;18:1) | 28.08a | C43H81O13P | 835.5334 | 0.41 | 673, 579, 571, 553, 417, 391, 315, 297, 281, 255, 241 | + | + | |
| 91 | GlcCer (d18:2; h18:0) | 28.86a | C42H79O9N | 740.5677 | 0.86 | 578, 560; MS3(578): 560, 530, 342, 340, 324, 299, 298, 281, 253 | + | + | |
| 92 | PI (18:1;18:1) | 29.48a | C45H83O13P | 861.5492 | 0.53 | 699, 597, 579, 435, 417, 315, 297, 281, 241 | + | + | |
| 93 | PE (18:2; 18:2) | 29.85a | C41H74O8NP | 738.5078 | 1.36 | 476, 458, 279 | + | + | |
| 94 | SQDG (16:0; 18:1) | 30.83a | C43H80O12S | 819.5277 | -1.18 | 563, 555, 537, 281, 255; MS3(563): 545, 519, 299, 225 | + | + | |
| 95 | SQDG (18:1; 18:1) | 32.33a | C45H82O12S | 845.5431 | -1.46 | 581, 563, 281; MS3(563): 299, 225 | + | + | |
| 96 | PG (16:0;18:2) | 31.35a | C40H75O10P | 745.5005 | -1.15 | 671, 507, 489, 483, 465, 415, 391, 279, 255, 227 | + | + | |
| 97 | PE (16:0; 18:2) | 31.81a | C39H74O8NP | 714.5075 | 0,92 | 476, 458, 452, 434, 279, 255 | + | + | |
| 98 | PG (18:1;18:2) | 32.80a | C42H77O10P | 771.5182 | 1.42 | 697, 509, 507, 491, 489, 417, 415, 281, 279, 245 | + | + | |
| 99 | PI (18:0;18:1) | 32.90a | C45H85O13P | 863.5647 | 0,36 | 599, 581, 437, 419, 315, 297, 283, 281, 241 | + | + | |
| 100 | PE (18:2; 18:1) | 33.11a | C41H76O8NP | 740.5232 | 0,99 | 478, 476, 460, 458, 281, 279 | + | + | |
| 101 | PC (18:2;18:2) | 34.24a | C44H80O8NP | 826.5597 | 0.52 | 766, 504, 279 | + | + | |
| 102 | PG (16:0;18:1) | 34.76a | C40H77O10P | 747.5176 | 0.69 | 673, 509, 491, 483, 465, 417, 391, 281, 255, 245, 227 | + | + | |
| 103 | PE (16:0; 18:1) | 35.18a | C39H76O8NP | 716.5234 | 1,25 | 452, 434, 391, 281, 255 | + | + | |
| 104 | SQDG (18:0; 18:1) | 35.95a | C45H84O12S | 847.5591 | -0.98 | 565, 563, 283, 281; MS3(563): 225 | + | + | |
| 105 | PG (18:1;18:1) | 36.31a | C42H79O10P | 773.5339 | 1.50 | 699, 509, 491, 435, 417, 281, 227 | + | + | |
| 106 | PC (16:0;18:2) | 36.57a | C42H80O8NP | 802.5600 | 0.92 | 742, 504, 480, 279, 255 | + | + | |
| 107 | PE (18:1; 18:1) | 36.68a | C41H78O8NP | 742.5391 | 1,33 | 486, 478, 460, 281 | + | + | |
| 108 | PA (18:2;18:2) | 37.96b | C39H69O8P | 695.4647 | 0.13 | 433, 415, 279 | – | + | |
| 109 | PC (18:2;18:1) | 37.98a | C44H82O8NP | 828.5746 | -0.39 | 768, 506, 504, 488, 486, 281, 279 | + | + | |
| 110 | PA (18:1;18:2) | 40.45b | C39H71O8P | 697.4814 | 1.57 | 435, 433, 417, 415, 281, 279 | + | + | |
| 111 | PA (16:0;18:2) | 40.82b | C37H69O8P | 671.4647 | 0.04 | 433, 415, 409, 391, 279, 255 | - | + | |
| 112 | PC (16:0;18:1) | 40.99a | C42H82O8NP | 804.5750 | 0.12 | 744, 488, 480, 462, 281, 255 | + | + | |
| 113 | PC (18:1;18:1) | 42.55a | C44H84O8NP | 830.5911 | 0.60 | 770, 506, 488, 281 | + | + | |
| 114 | PA (16:0;18:1) | 45.71b | C37H71O8P | 673.4810 | 1.01 | 435, 417, 409, 391, 281, 255 | + | + | |
| 115 | PA (18:1;18:1) | 46.84b | C39H73O8P | 699.4966 | 1.01 | 435, 417, 281 | + | + | |
| 116 | PA (18:1;20:2) | 49.31b | C41H75O8P | 725.5107 | -0.84 | 461, 443, 417, 307, 281 | – | + | |
| 117 | PC (18:1;18:0) | 49.59a | C44H86O8NP | 832.6050 | -1.41 | 772, 508, 283 | + | + | |
| 118 | PA (18:1;18:0) | 50.82b | C39H75O8P | 701.5110 | -0.59 | 437, 419, 417, 283, 281 | – | + | |
| 119 | PA (18:1;20:1) | 52.42b | C41H77O8P | 727.5267 | -0.56 | 463, 445, 417, 309, 281 | – | + |
aderived by LC-HRMS analysis of NPR on Symmetry C4 column in negative ion mode; bderived by LC-HRMS analysis of NPF on Symmetry C4 column in negative ion mode.
In GlcCer nomenclature, the 2-hydroxylated fatty acids are indicated by the letter “h” added to their lipid number (i.e., h16:0).
+: metabolites present in the extract; -: metabolites absent in the extract. The 18-carbon hydroxylated acyl chain is abbreviated as 18:2-1O to indicate two double bond equivalent and one oxygen atom beyond the carbonyl group.