Table 2.
Molecular species of polar lipids (phospholipids, glycolipids, glycosphingolipids and betaines) identified in the olive (Olea europaea L. cv. Galega vulgar) pulp by HILIC-LC-ESI-MS and MS/MS.
| Lipid Name | m/z | tR (min) | Acyl Chain Composition |
|---|---|---|---|
| Class(C:N) | [M + H]+ | ||
| PC(24:0(OH)) | 638.4399 | 11.93 | 16:0-8:0(OH) |
| PC(26:2) | 646.4436 | 10.13 | 8:1-18:1 |
| PC(16:0/C8CHO)* | 650.4400 | 10.93 | 16:0/C8CHO |
| PC(26:2(OH)) | 662.4403 | 10.83 | 18:1-8:1(OH) |
| PC(26:1(OH)) | 664.4585 | 11.63 | 18:1-8:0(OH) |
| PC(16:0/C8COOH)* | 666.4348 | 10.83 | 16:0/C8COOH |
| PC(27:2(OH)) | 676.4560 | 10.63 | 18:1-9:1(OH) |
| PC(28:3(OH)) | 688.4554 | 10.53 | 18:1-10:2(OH) |
| PC(30:3)a) | 700.4895 | 10.03 | 30:3 |
| PC(29:2(OH)) | 704.4867 | 10.43 | 18:1-11:1(OH) |
| PC(32:2) | 730.5379 | 9.63 | 16:1-16:1 |
| PC(32:1) | 732.5539 | 9.63 | 16:0-16:1 and 14:0-18:1 |
| PC(32:2(OH)) | 746.5316 | 9.83 | 16:0-16:2(OH) and 16:1-16:1(OH) and 18:1-14:1(OH) |
| PC(33:1) | 746.5671 | 9.53 | 16:0-17:1 |
| PC(32:1(OH)) | 748.5476 | 9.83 | 18:1-14:0(OH) and 16:0-16:1(OH) |
| PC(34:4) | 754.5372 | 9.53 | 16:1-18:3 |
| PC(34:3) | 756.5545 | 9.43 | 16:0-18:3 and 16:1-18:2 |
| PC(34:2) | 758.5699 | 9.43 | 16:0-18:2 and 16:1-18:1 |
| PC(34:1) | 760.5854 | 9.43 | 16:0-18:1 |
| PC(34:4(OH)) | 770.5338 | 9.73 | 17:1-17:3(OH) and 18:1-16:3(OH) and 18:2-16:2(OH) |
| PC(35:3) | 770.5697 | 9.43 | 18:2-17:1 |
| PC(35:2) | 772.5848 | 9.23 | 18:1-17:1 |
| PC(34:3(OH)) | 772.5487 | 9.63 | 16:0-18:3(OH) and 16:1-18:2(OH) and 18:1-16:2(OH) |
| PC(34:2(OH)) | 774.5646 | 9.63 | 16:1-18:1(OH) and 16:0-18:2(OH) and 18:1-16:1(OH) |
| PC(35:1) | 774.5998 | 9.23 | 18:1-17:0 |
| PC(34:1(OH)) | 776.5799 | 9.63 | 16:0-18:1(OH) |
| PC(36:6) | 778.5380 | 9.43 | 18:3-18:3 |
| PC(36:5) | 780.5512 | 9.43 | 18:3-18:2 |
| PC(36:4) | 782.5689 | 9.33 | 18:2-18:2 and 18:3-18:1 |
| PC(36:3) | 784.5853 | 9.23 | 18:1-18:2 |
| PC(36:2) | 786.6009 | 9.03 | 18:1-18:1 |
| PC(34:1(2OH)) | 792.5756 | 8.83 | 16:0-18:1(2OH) |
| PC(36:5(OH)) | 796.5476 | 9.63 | 18:2-18:3(OH) |
| PC(37:4) | 796.5829 | 9.13 | 18:1-19:3 and 18:2-19:2 |
| PC(36:4(OH)) | 798.5647 | 9.43 | 18:1-18:3(OH) and 18:2-18:2(OH) |
| PC(36:3(OH)) | 800.5798 | 9.33 | 18:1-18:2(OH) and 18:2-18:1(OH) |
| PC(37:2) | 800.6156 | 9.03 | 19:0-18:2 and 18:1-19:1 |
| PC(36:2(OH)) | 802.5949 | 9.43 | 18:1-18:1(OH) |
| PC(38:3) | 812.6140 | 8.93 | 18:1-20:2 and 18:2-20:1 |
| PC(38:2) | 814.6318 | 8.93 | 18:1-20:1 |
| PC(38:1) | 816.6452 | 8.83 | 18:1-20:0 |
| PC(36:3(2OH)) | 816.5755 | 8.73 | 18:1-18:2(2OH) |
| PC(36:2(2OH)) | 818.5908 | 8.73 | 18:1-18:1(2OH) |
| PC(40:2) | 842.6611 | 8.83 | 18:1-22:1 and 18:2-22:0 |
| PC(40:1) | 844.6812 | 8.73 | 18:1-22:0 |
| PC(41:1) | 858.6943 | 8.66 | 18:1-23:0 |
| PC(42:1) | 872.7111 | 8.63 | 18:1-24:0 |
| PC(43:1) | 886.7261 | 8.53 | 18:1-25:0 |
| [M + H]+ | |||
| LPC(16:1) | 494.3245 | 14.03 | 16:1 |
| LPC(16:0) | 496.3402 | 13.73 | 16:0 |
| LPC(18:3) | 518.3224 | 13.73 | 18:3 |
| LPC(18:2) | 520.3404 | 13.63 | 18:2 |
| LPC(18:1) | 522.3559 | 13.43 | 18:1 |
| LPC(18:2(OH)) | 536.3355 | 14.53 | 18:2(OH) |
| LPC(18:1(OH)) | 538.3511 | 14.63 | 18:1(OH) |
| LPC(20:1) | 550.3876 | 12.93 | 20:1 |
| LPC(20:0) | 552.4025 | 12.73 | 20:0 |
| LPC(18:1(2OH)) | 554.3457 | 13.13 | 18:1(2OH) |
| LPC(22:0) | 580.4359 | 12.42 | 22:0 |
| LPC(24:0) | 608.4664 | 11.93 | 24:0 |
| [M + H]+ | |||
| PE(30:3)a) | 658.4426 | 4.54 | |
| PE(34:2) | 716.5216 | 4.34 | 16:1-18:1 and 16:0-18:2 |
| PE(34:1) | 718.5380 | 4.34 | 16:0-18:1 |
| PE(36:4)* | 740.5216 | 4.34 | |
| PE(36:3) | 742.5388 | 4.34 | 18:1-18:2 |
| PE(36:2) | 744.5538 | 4.24 | 18:1-18:1 and 18:0-18:2 and 17:1-19:1 |
| [M − H]− | |||
| PG(34:1) | 747.5175 | 2.49 | 16:0-18:1 |
| PG(36:2)* | 773.5332 | 2.49 | |
| [M + H]+ | |||
| SM(d34:1) | 703.5755 | 11.33 | |
| SM(d36:1) | 731.6054 | 11.13 | |
| SM(t38:1)* | 775.6330 | 10.63 | |
| SM(d41:1) | 801.6875 | 10.53 | |
| SM(t40:0) | 805.6792 | 10.83 | |
| SM(d42:2) | 813.6870 | 10.53 | |
| SM(d42:1) | 815.6969 | 10.53 | |
| SM(t41:1)* | 817.6834 | 10.33 | |
| SM(t41:0) | 819.6953 | 10.73 | |
| [M + NH4]+ | |||
| MGDG(34:4) | 768.5644 | 3.34 | 16:1-18:3 |
| MGDG(34:2)* | 772.5932 | 3.34 | |
| MGDG(34:1)* | 774.6076 | 3.34 | |
| MGDG(36:6) | 792.5622 | 3.34 | 18:3-18:3 and 18:4-18:2 |
| MGDG(36:4) | 796.5934 | 3.34 | 18:2-18:2 and 18:3-18:1 |
| MGDG(36:3) | 798.6091 | 3.24 | 18:1-18:2 and 18:3-18:0 |
| MGDG(36:2) | 800.6250 | 3.34 | 18:1-18:1 |
| MGDG(38:1)* | 830.6714 | 3.24 | |
| MGDG(40:4)* | 852.6562 | 3.24 | |
| [M + NH4]+ | |||
| DGMG(18:3)* | 694.4022 | 3.64 | 18:3 |
| DGMG(18:1)* | 698.4317 | 3.64 | 18:1 |
| [M + NH4]+ | |||
| DGDG(34:4)* | 930.6154 | 3.54 | |
| DGDG(34:3) | 932.6315 | 3.54 | 16:0-18:3 |
| DGDG(34:2) | 934.6437 | 3.54 | 16:1-18:1 and 16:0-18:2 |
| DGDG(34:1) | 936.6621 | 3.54 | 16:0-18:1 |
| DGDG(36:6) | 954.6150 | 3.54 | 18:3-18:3 and 18:4-18:2 |
| DGDG(36:4) | 958.6467 | 3.54 | 18:1-18:3 and 18:2-18:2 |
| DGDG(36:3) | 960.6582 | 3.54 | 18:2-18:1 and 18:0-18:3 |
| DGDG(36:2) | 962.6775 | 3.54 | 18:1-18:1 and 18:2-18:0 |
| [M + H]+ | |||
| HexCer(d34:2(OH)) | 714.5518 | 3.34 | d18:2-16:0-OH |
| HexCer(d34:1(OH)) | 716.5669 | 3.34 | d18:1-16:0-OH |
| HexCer(t40:1(OH)) | 816.6555 | 3.24 | t18:1-22:0-OH |
| HexCer(t42:1(OH)) | 844.6874 | 3.24 | t18:1-24:0-OH |
| HexCer(t44:1((OH)2)) | 872.7195 | 3.24 | t18:1-26:0-((OH)2) |
| [M + H]+ | |||
| MGTS(16:0) | 474.3793 | 6.44 | 16:0 |
| [M + H]+ | |||
| DGTS(34:2) | 736.6082 | 5.04 | 16:0-18:2 and 16:1-18:1 |
| DGTS(34:1) | 738.6213 | 5.04 | 16:0-18:1 |
| DGTS(36:4) | 760.6095 | 4.94 | 18:2-18:2 |
| DGTS(36:3) | 762.6238 | 4.94 | 18:2-18:1 |
| DGTS(36:2) | 764.6404 | 4.94 | 18:1-18:1 |
All the molecular species were identified by MS/MS, exact mass and retention time, except the molecular species with an asterisk (*) that were identified only by exact mass and by retention time. a) The fatty acyl chains of these species were not identified by MS/MS since no informative negative mode spectrum could be acquired. tR, retention time. A detailed list of the polar lipid molecular species with the chemical formulas, observed and theoretical m/z values and mass errors are listed in Table S2 of Supplementary material.