Analysis of Lipids in Green Coffee by Ultra-Performance Liquid Chromatography–Time-of-Flight Tandem Mass Spectrometry
Abstract
:1. Introduction
2. Results and Discussion
2.1. Analysis of Fatty Acid Composition in Green Coffee
2.2. Identification of Lipids
2.3. Analysis of Lipid Composition in Green Coffee
2.4. Lipids’ Content in Green Coffee
3. Materials and Methods
3.1. Materials
3.2. Methods
3.2.1. Determination of Fatty Acid Composition by Gas Chromatography
3.2.2. Determination of Lipid Composition Using UPLC-TOF-MS/MS
3.3. Data Processing
3.4. Statistical Analysis
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
References
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NO | R.Time min | m/z | Lipid Name | Adduct Type | Formula | Ontology | Content μg/g |
---|---|---|---|---|---|---|---|
1 | 6.654 | 859.6649 | ASG 28:1;O;Hex;FA 16:0 | [M+CH3COO]− | C50H88O7 | AHexCAS | 0.61 ± 0.09 |
2 | 7.182 | 887.6971 | ASG 28:1;O;Hex;FA 18:0 | [M+CH3COO]− | C52H92O7 | AHexCAS | 0.20 ± 0.02 |
3 | 6.722 | 885.6755 | ASG 28:1;O;Hex;FA 18:1 | [M+CH3COO]− | C52H90O7 | AHexCAS | 0.09 ± 0.02 |
4 | 6.316 | 883.6581 | ASG 28:1;O;Hex;FA 18:2 | [M+CH3COO]− | C52H88O7 | AHexCAS | 0.29 ± 0.05 |
5 | 6.845 | 873.6815 | ASG 29:1;O;Hex;FA 16:0 | [M+CH3COO]− | C51H90O7 | AHexSIS | 2.79 ± 0.28 |
6 | 7.355 | 901.7115 | ASG 29:1;O;Hex;FA 18:0 | [M+CH3COO]− | C53H94O7 | AHexSIS | 0.97 ± 0.17 |
7 | 6.923 | 899.6962 | ASG 29:1;O;Hex;FA 18:1 | [M+CH3COO]− | C53H92O7 | AHexSIS | 0.56 ± 0.07 |
8 | 6.508 | 897.6824 | ASG 29:1;O;Hex;FA 18:2 | [M+CH3COO]− | C53H90O7 | AHexSIS | 2.03 ± 0.21 |
9 | 6.111 | 895.6605 | ASG 29:1;O;Hex;FA 18:3 | [M+CH3COO]− | C53H88O7 | AHexSIS | 0.64 ± 0.09 |
10 | 6.689 | 871.6605 | ASG 29:2;O;Hex;FA 16:0 | [M+CH3COO]− | C51H88O7 | AHexSTS | 1.01 ± 0.15 |
11 | 7.204 | 899.6945 | ASG 29:2;O;Hex;FA 18:0 | [M+CH3COO]− | C53H92O7 | AHexSTS | 0.56 ± 0.07 |
12 | 6.349 | 895.6656 | ASG 29:2;O;Hex;FA 18:2 | [M+CH3COO]− | C53H88O7 | AHexSTS | 0.64 ± 0.09 |
13 | 5.504 | 652.5873 | Cer 40:1;4O|Cer 18:1;3O/22:0;(2OH) | [M-H]− | C40H79NO5 | Cer_AP | 0.51 ± 0.05 |
14 | 5.962 | 668.6175 | Cer 41:0;4O|Cer 18:0;3O/23:0;(2OH) | [M-H]− | C41H83NO5 | Cer_AP | 0.18 ± 0.02 |
15 | 5.71 | 666.5975 | Cer 41:1;4O|Cer 18:1;3O/23:0;(2OH) | [M-H]− | C41H81NO5 | Cer_AP | 0.22 ± 0.04 |
16 | 6.224 | 682.6332 | Cer 42:0;4O|Cer 18:0;3O/24:0;(2OH) | [M-H]− | C42H85NO5 | Cer_AP | 1.60 ± 0.28 |
17 | 5.978 | 680.6147 | Cer 42:1;4O|Cer 18:1;3O/24:0;(2OH) | [M-H]− | C42H83NO5 | Cer_AP | 1.42 ± 0.26 |
18 | 6.491 | 696.647 | Cer 43:0;4O|Cer 18:0;3O/25:0;(2OH) | [M-H]− | C43H87NO5 | Cer_AP | 0.26 ± 0.03 |
19 | 6.241 | 694.6345 | Cer 43:1;4O|Cer 18:1;3O/25:0;(2OH) | [M-H]− | C43H85NO5 | Cer_AP | 0.32 ± 0.08 |
20 | 9.529 | 838.7357 | Cer 54:6;4O|Cer 38:5;3O(FA 16:0) | [M-H]− | C54H97NO5 | Cer_EOS | 0.11 ± 0.02 |
21 | 9.561 | 864.7435 | Cer 56:7;4O|Cer 40:6;3O(FA 16:0) | [M-H]− | C56H99NO5 | Cer_EOS | 1.55 ± 0.42 |
22 | 9.186 | 862.7282 | Cer 56:8;4O|Cer 21:1;2O/17:4;O(FA 18:2) | [M-H]− | C56H97NO5 | Cer_EOS | 13.16 ± 2.96 |
23 | 8.814 | 860.702 | Cer 56:9;4O|Cer 40:8;3O(FA 16:0) | [M-H]− | C56H95NO5 | Cer_EOS | 0.26 ± 0.07 |
24 | 9.991 | 892.7689 | Cer 58:7;4O|Cer 40:6;3O(FA 18:0) | [M-H]− | C58H103NO5 | Cer_EOS | 0.7 ± 0.16 |
25 | 9.637 | 890.7576 | Cer 58:8;4O|Cer 40:7;3O(FA 18:0) | [M-H]− | C58H101NO5 | Cer_EOS | 5.81 ± 1.61 |
26 | 9.234 | 888.7432 | Cer 58:9;4O|Cer 40:6;3O(FA 18:2) | [M-H]− | C58H99NO5 | Cer_EOS | 5.51 ± 0.94 |
27 | 8.846 | 886.7294 | Cer 58:10;4O|Cer 40:7;3O(FA 18:2) | [M-H]− | C58H97NO5 | Cer_EOS | 14.84 ± 2.9 |
28 | 8.467 | 884.7048 | Cer 58:11;4O|Cer 40:8;3O(FA 18:2) | [M-H]− | C58H95NO5 | Cer_EOS | 0.64 ± 0.13 |
29 | 10.396 | 920.797 | Cer 60:7;4O|Cer 42:5;3O(FA 18:1) | [M-H]− | C60H107NO5 | Cer_EOS | 0.35 ± 0.04 |
30 | 10.062 | 918.7827 | Cer 60:8;4O|Cer 42:5;3O(FA 18:2) | [M-H]− | C60H105NO5 | Cer_EODS | 2.40 ± 0.39 |
31 | 9.664 | 916.7686 | Cer 60:9;4O|Cer 42:6;3O(FA 18:2) | [M-H]− | C60H103NO5 | Cer_EOS | 1.57 ± 0.38 |
32 | 9.299 | 914.7571 | Cer 60:10;4O|Cer 42:7;3O(FA 18:2) | [M-H]− | C60H101NO5 | Cer_EOS | 3.34 ± 0.53 |
33 | 8.88 | 912.743 | Cer 60:11;4O|Cer 42:8;3O(FA 18:2) | [M-H]− | C60H99NO5 | Cer_EOS | 2.20 ± 0.36 |
34 | 8.478 | 910.7285 | Cer 60:12;4O|Cer 42:9;3O(FA 18:2) | [M-H]− | C60H97NO5 | Cer_EOS | 2.81 ± 0.54 |
35 | 8.111 | 908.7169 | Cer 60:13;4O|Cer 42:9;3O(FA 18:3) | [M-H]− | C60H95NO5 | Cer_EOS | 0.27 ± 0.05 |
36 | 9.749 | 942.7889 | Cer 62:10;4O|Cer 44:7;3O(FA 18:2) | [M-H]− | C62H105NO5 | Cer_EOS | 1.15 ± 0.29 |
37 | 9.346 | 940.7683 | Cer 62:11;4O|Cer 44:8;3O(FA 18:2) | [M-H]− | C62H103NO5 | Cer_EOS | 0.20 ± 0.04 |
38 | 10.456 | 946.8187 | Cer 62:8;4O|Cer 44:5;3O(FA 18:2) | [M-H]− | C62H109NO5 | Cer_EOS | 0.76 ± 0.16 |
39 | 10.089 | 944.8008 | Cer 62:9;4O|Cer 44:7;3O(FA 18:1) | [M-H]− | C62H107NO5 | Cer_EOS | 0.54 ± 0.07 |
40 | 10.162 | 970.8248 | Cer 64:10;4O|Cer 46:7;3O(FA 18:2) | [M-H]− | C64H109NO5 | Cer_EOS | 0.26 ± 0.06 |
41 | 10.835 | 974.8505 | Cer 64:8;4O|Cer 40:7;3O(FA 24:0) | [M-H]− | C64H113NO5 | Cer_EOS | 0.36 ± 0.07 |
42 | 4.35 | 552.4949 | Cer 34:1;3O|Cer 18:1;3O/16:0 | [M-H]− | C34H67NO4 | Cer_NP | 0.98 ± 0.21 |
43 | 6.497 | 666.6363 | Cer 42:0;3O|Cer 18:0;3O/24:0 | [M-H]− | C42H85NO4 | Cer_NP | 0.73 ± 0.08 |
44 | 6.241 | 664.6186 | Cer 42:1;3O|Cer 18:1;3O/24:0 | [M-H]− | C42H83NO4 | Cer_NP | 0.38 ± 0.02 |
45 | 7.033 | 694.6718 | Cer 44:0;3O|Cer 18:0;3O/26:0 | [M-H]− | C44H89NO4 | Cer_NP | 0.29 ± 0.01 |
46 | 1.685 | 227.202 | FA 14:0 | [M-H]− | C14H28O2 | FA | 15.53 ± 1.00 |
47 | 2.334 | 255.2345 | FA 16:0 | [M-H]− | C16H32O2 | FA | 5727.91 ± 450.89 |
48 | 2.642 | 269.247 | FA 17:0 | [M-H]− | C17H34O2 | FA | 39.88 ± 1.53 |
49 | 2.92 | 283.2651 | FA 18:0 | [M-H]− | C18H36O2 | FA | 3086.39 ± 333.03 |
50 | 2.486 | 281.2492 | FA 18:1 | [M-H]− | C18H34O2 | FA | 1149.61 ± 143.83 |
51 | 2.058 | 279.2334 | FA 18:2 | [M-H]− | C18H32O2 | FA | 6403.60 ± 526.28 |
52 | 1.654 | 277.2187 | FA 18:3 | [M-H]− | C18H30O2 | FA | 94.98 ± 13.02 |
53 | 3.453 | 311.2959 | FA 20:0 | [M-H]− | C20H40O2 | FA | 854.03 ± 56.21 |
54 | 3.002 | 309.2787 | FA 20:1 | [M-H]− | C20H38O2 | FA | 58.09 ± 6.27 |
55 | 3.941 | 339.3272 | FA 22:0 | [M-H]− | C22H44O2 | FA | 315.63 ± 18.01 |
56 | 3.945 | 337.3143 | FA 22:1 | [M-H]− | C22H42O2 | FA | 0.38 ± 0.05 |
57 | 4.381 | 367.3573 | FA 24:0 | [M-H]− | C24H48O2 | FA | 483.68 ± 53.91 |
58 | 4.272 | 758.5736 | HexCer 36:1;4O|HexCer 18:1;3O/18:0;(2OH) | [M-H]− | C42H81NO10 | HexCer_AP | 0.72 ± 0.10 |
59 | 4.605 | 786.608 | HexCer 38:1;4O|HexCer 18:1;3O/20:0;(2OH) | [M-H]− | C44H85NO10 | HexCer_AP | 0.7 ± 0.06 |
60 | 5.02 | 814.6382 | HexCer 40:1;4O|HexCer 18:1;3O/22:0;(2OH) | [M-H]− | C46H89NO10 | HexCer_AP | 5.47 ± 0.06 |
61 | 5.27 | 828.652 | HexCer 41:1;4O|HexCer 18:1;3O/23:0;(2OH) | [M-H]− | C47H91NO10 | HexCer_AP | 0.25 ± 0.06 |
62 | 5.504 | 842.6694 | HexCer 42:1;4O|HexCer 18:1;3O/24:0;(2OH) | [M-H]− | C48H93NO10 | HexCer_AP | 3.33 ± 0.12 |
63 | 5.973 | 870.6987 | HexCer 44:1;4O|HexCer 18:1;3O/26:0;(2OH) | [M-H]− | C50H97NO10 | HexCer_AP | 0.36 ± 0.04 |
64 | 5.537 | 818.5863 | PC 34:1|PC 16:0_18:1 | [M+CH3COO]− | C42H82NO8P | PC | 10.41 ± 1.93 |
65 | 5.067 | 816.5745 | PC 34:2|PC 16:0_18:2 | [M+CH3COO]− | C42H80NO8P | PC | 30.21 ± 4.00 |
66 | 5.711 | 844.603 | PC 36:2|PC 18:1_18:1 | [M+CH3COO]− | C44H84NO8P | PC | 5.25 ± 0.81 |
67 | 5.082 | 842.5946 | PC 36:3|PC 18:1_18:2 | [M+CH3COO]− | C44H82NO8P | PC | 9.94 ± 1.88 |
68 | 4.687 | 840.5668 | PC 36:4|PC 18:2_18:2 | [M+CH3COO]− | C44H80NO8P | PC | 10.24 ± 1.85 |
69 | 3.553 | 690.5078 | PE 32:0|PE 16:0_16:0 | [M-H]− | C37H74NO8P | PE | 0.11 ± 0.01 |
70 | 4.989 | 716.5177 | PE 34:1|PE 16:0_18:1 | [M-H]− | C39H76NO8P | PE | 0.33 ± 0.07 |
71 | 4.57 | 714.5034 | PE 34:2|PE 16:0_18:2 | [M-H]− | C39H74NO8P | PE | 4.69 ± 1.06 |
72 | 5.036 | 742.5333 | PE 36:2|PE 18:0_18:2 | [M-H]− | C41H78NO8P | PE | 1.17 ± 0.2 |
73 | 4.611 | 740.5236 | PE 36:3|PE 18:1_18:2 | [M-H]− | C41H76NO8P | PE | 0.97 ± 0.19 |
74 | 4.335 | 738.5076 | PE 36:4|PE 18:2_18:2 | [M-H]− | C41H74NO8P | PE | 1.55 ± 0.17 |
75 | 5.521 | 770.5684 | PE 38:2|PE 20:0_18:2 | [M-H]− | C43H82NO8P | PE | 0.13 ± 0.05 |
76 | 4.335 | 777.5529 | PG 36:0|PG 18:0_18:0 | [M-H]− | C42H83O10P | PG | 4.18 ± 0.68 |
77 | 3.716 | 809.5223 | PI 32:0|PI 16:0_16:0 | [M-H]− | C41H79O13P | PI | 1.53 ± 0.14 |
78 | 3.76 | 835.5346 | PI 34:1|PI 16:0_18:1 | [M-H]− | C43H81O13P | PI | 13.77 ± 1.51 |
79 | 3.55 | 833.5191 | PI 34:2|PI 16:0_18:2 | [M-H]− | C43H79O13P | PI | 132.36 ± 7.38 |
80 | 3.351 | 831.4954 | PI 34:3|PI 18:0_16:3 | [M-H]− | C43H77O13P | PI | 3.09 ± 0.41 |
81 | 3.847 | 861.5472 | PI 36:2|PI 18:0_18:2 | [M-H]− | C45H83O13P | PI | 9.82 ± 1.10 |
82 | 3.588 | 859.5333 | PI 36:3|PI 16:0_20:3 | [M-H]− | C45H81O13P | PI | 4.40 ± 0.38 |
83 | 3.375 | 857.5219 | PI 36:4|PI 18:2_18:2 | [M-H]− | C45H79O13P | PI | 9.28 ± 0.84 |
84 | 4.54 | 919.6258 | PI 40:1|PI 20:0_20:1 | [M-H]− | C49H93O13P | PI | 13.94 ± 2.16 |
85 | 3.613 | 621.4358 | SG 28:1;O;Hex | [M+CH3COO]− | C34H58O6 | SHex | 0.49 ± 0.09 |
86 | 3.774 | 635.4494 | SG 29:1;O;Hex | [M+CH3COO]− | C35H60O6 | SHex | 3.51 ± 0.76 |
87 | 3.655 | 633.4337 | SG 29:2;O;Hex | [M+CH3COO]− | C35H58O6 | SHex | 1.27 ± 0.19 |
88 | 5.634 | 586.5302 | DG 32:0|DG 16:0_16:0 | [M+NH4]+ | C35H68O5 | DG | 85.39 ± 13.32 |
89 | 5.225 | 584.5154 | DG 32:1|DG 16:0_16:1 | [M+NH4]+ | C35H66O5 | DG | 2.35 ± 0.26 |
90 | 6.161 | 614.5614 | DG 34:0|DG 16:0_18:0 | [M+NH4]+ | C37H72O5 | DG | 41.68 ± 4.04 |
91 | 5.701 | 612.5468 | DG 34:1|DG 16:0_18:1 | [M+NH4]+ | C37H70O5 | DG | 206.95 ± 32.99 |
92 | 5.321 | 610.5339 | DG 34:2|DG 16:0_18:2 | [M+NH4]+ | C37H68O5 | DG | 3804.73 ± 356.39 |
93 | 5.002 | 608.5155 | DG 34:3|DG 16:0_18:3 | [M+NH4]+ | C37H66O5 | DG | 103.33 ± 10.96 |
94 | 6.698 | 642.5931 | DG 36:0|DG 18:0_18:0 | [M+NH4]+ | C39H76O5 | DG | 25.20 ± 1.70 |
95 | 6.228 | 640.5801 | DG 36:1|DG 18:0_18:1 | [M+NH4]+ | C39H74O5 | DG | 36.32 ± 4.29 |
96 | 5.813 | 638.5634 | DG 36:2|DG 18:0_18:2 | [M+NH4]+ | C39H72O5 | DG | 535.91 ± 43.92 |
97 | 5.378 | 636.5472 | DG 36:3|DG 18:1_18:2 | [M+NH4]+ | C39H70O5 | DG | 842.02 ± 76.18 |
98 | 5.022 | 634.5318 | DG 36:4|DG 18:2_18:2 | [M+NH4]+ | C39H68O5 | DG | 3737.90 ± 263.65 |
99 | 4.723 | 632.5156 | DG 36:5|DG 18:2_18:3 | [M+NH4]+ | C39H66O5 | DG | 107.66 ± 14.00 |
100 | 7.235 | 670.6293 | DG 38:0|DG 16:0_22:0 | [M+NH4]+ | C41H80O5 | DG | 5.84 ± 0.24 |
101 | 6.76 | 668.6097 | DG 38:1|DG 20:0_18:1 | [M+NH4]+ | C41H78O5 | DG | 11.47 ± 0.58 |
102 | 6.345 | 666.598 | DG 38:2|DG 20:0_18:2 | [M+NH4]+ | C41H76O5 | DG | 145.25 ± 8.6 |
103 | 5.852 | 664.5808 | DG 38:3|DG 20:1_18:2 | [M+NH4]+ | C41H74O5 | DG | 19.69 ± 1.43 |
104 | 5.482 | 662.5598 | DG 38:4|DG 18:2_20:2 | [M+NH4]+ | C41H72O5 | DG | 6.07 ± 1.20 |
105 | 7.771 | 698.6593 | DG 40:0|DG 20:0_20:0 | [M+NH4]+ | C43H84O5 | DG | 8.74 ± 0.61 |
106 | 7.302 | 696.6409 | DG 40:1|DG 22:0_18:1 | [M+NH4]+ | C43H82O5 | DG | 2.27 ± 0.18 |
107 | 6.889 | 694.6287 | DG 40:2|DG 22:0_18:2 | [M+NH4]+ | C43H80O5 | DG | 20.65 ± 1.90 |
108 | 8.282 | 726.6904 | DG 42:0|DG 20:0_22:0 | [M+NH4]+ | C45H88O5 | DG | 16.76 ± 1.30 |
109 | 7.429 | 722.6627 | DG 42:2|DG 24:0_18:2 | [M+NH4]+ | C45H84O5 | DG | 9.06 ± 0.21 |
110 | 8.762 | 754.7205 | DG 44:0|DG 22:0_22:0 | [M+NH4]+ | C47H92O5 | DG | 12.20 ± 1.17 |
111 | 7.967 | 750.6893 | DG 44:2|DG 26:0_18:2 | [M+NH4]+ | C47H88O5 | DG | 2.38 ± 0.38 |
112 | 9.622 | 876.8317 | TG O-53:2|TG O-19:2_16:0_18:0 | [M+NH4]+ | C56H106O5 | EtherTG | 66.61 ± 7.81 |
113 | 8.966 | 898.827 | TG O-55:5|TG O-19:1_18:2_18:2 | [M+NH4]+ | C58H104O5 | EtherTG | 66.51 ± 3.34 |
114 | 10.136 | 956.9129 | TG O-59:4|TG O-19:2_18:2_22:0 | [M+NH4]+ | C62H114O5 | EtherTG | 17.46 ± 2.97 |
115 | 8.246 | 866.7822 | TG 50:1;1O|TG 16:0_16:0_18:1;1O | [M+NH4]+ | C53H100O7 | OxTG | 22.96 ± 6.44 |
116 | 7.946 | 864.7678 | TG 50:2;1O|TG 16:0_16:0_18:2;1O | [M+NH4]+ | C53H98O7 | OxTG | 504.38 ± 128.28 |
117 | 7.576 | 862.7489 | TG 50:3;1O|TG 16:0_16:0_18:3;1O | [M+NH4]+ | C53H96O7 | OxTG | 92.53 ± 28.21 |
118 | 7.095 | 860.737 | TG 50:4;1O|TG 16:0_18:2_16:2;1O | [M+NH4]+ | C53H94O7 | OxTG | 4.16 ± 0.80 |
119 | 8.721 | 894.8135 | TG 52:1;1O|TG 16:0_18:0_18:1;1O | [M+NH4]+ | C55H104O7 | OxTG | 10.19 ± 1.89 |
120 | 8.429 | 892.7969 | TG 52:2;1O|TG 16:0_18:0_18:2;1O | [M+NH4]+ | C55H102O7 | OxTG | 180.15 ± 42.4 |
121 | 7.973 | 890.783 | TG 52:3;1O|TG 16:0_18:1_18:2;1O | [M+NH4]+ | C55H100O7 | OxTG | 334.53 ± 82.77 |
122 | 7.596 | 888.7674 | TG 52:4;1O|TG 16:0_18:2_18:2;1O | [M+NH4]+ | C55H98O7 | OxTG | 1043.62 ± 205.51 |
123 | 7.235 | 886.7534 | TG 52:5;1O|TG 16:0_18:2_18:3;1O | [M+NH4]+ | C55H96O7 | OxTG | 273.4 ± 76.16 |
124 | 6.871 | 884.7346 | TG 52:6;1O|TG 16:0_18:3_18:3;1O | [M+NH4]+ | C55H94O7 | OxTG | 5.11 ± 1.5 |
125 | 8.915 | 920.8307 | TG 54:2;1O|TG 16:0_20:0_18:2;1O | [M+NH4]+ | C57H106O7 | OxTG | 49.40 ± 6.42 |
126 | 8.488 | 918.8096 | TG 54:3;1O|TG 18:0_18:1_18:2;1O | [M+NH4]+ | C57H104O7 | OxTG | 71.38 ± 16.36 |
127 | 8.09 | 916.7963 | TG 54:4;1O|TG 18:0_18:2_18:2;1O | [M+NH4]+ | C57H102O7 | OxTG | 198.9 ± 44.27 |
128 | 7.651 | 914.785 | TG 54:5;1O|TG 18:1_18:2_18:2;1O | [M+NH4]+ | C57H100O7 | OxTG | 191.35 ± 38.67 |
129 | 7.246 | 912.7684 | TG 54:6;1O|TG 18:2_18:2_18:2;1O | [M+NH4]+ | C57H98O7 | OxTG | 237.19 ± 41.13 |
130 | 6.889 | 910.7452 | TG 54:7;1O|TG 18:2_18:2_18:3;1O | [M+NH4]+ | C57H96O7 | OxTG | 44.14 ± 9.42 |
131 | 6.505 | 908.7288 | TG 54:8;1O|TG 18:2_18:3_18:3;1O | [M+NH4]+ | C57H94O7 | OxTG | 2.05 ± 0.34 |
132 | 9.363 | 948.8574 | TG 56:2;1O|TG 16:0_22:0_18:2;1O | [M+NH4]+ | C59H110O7 | OxTG | 11.20 ± 2.53 |
133 | 8.948 | 946.8486 | TG 56:3;1O|TG 20:0_18:1_18:2;1O | [M+NH4]+ | C59H108O7 | OxTG | 19.55 ± 2.11 |
134 | 8.584 | 944.8259 | TG 56:4;1O|TG 20:0_18:2_18:2;1O | [M+NH4]+ | C59H106O7 | OxTG | 57.93 ± 10.49 |
135 | 8.228 | 942.8184 | TG 56:5;1O|TG 20:0_18:2_18:3;1O | [M+NH4]+ | C59H104O7 | OxTG | 15.9 ± 2.36 |
136 | 7.754 | 940.8 | TG 56:6;1O|TG 20:1_18:2_18:3;1O | [M+NH4]+ | C59H102O7 | OxTG | 1.88 ± 0.35 |
137 | 9.783 | 976.8939 | TG 58:2;1O|TG 20:0_20:0_18:2;1O | [M+NH4]+ | C61H114O7 | OxTG | 4.72 ± 0.58 |
138 | 9.429 | 974.8809 | TG 58:3;1O|TG 22:0_19:2_17:1;1O | [M+NH4]+ | C61H112O7 | OxTG | 5.04 ± 1.09 |
139 | 9.043 | 972.858 | TG 58:4;1O|TG 22:0_18:2_18:2;1O | [M+NH4]+ | C61H110O7 | OxTG | 9.83 ± 0.45 |
140 | 9.524 | 824.7681 | TG 48:0|TG 16:0_16:0_16:0 | [M+NH4]+ | C51H98O6 | TG | 138.29 ± 18.75 |
141 | 9.099 | 822.7542 | TG 48:1|TG 14:0_16:0_18:1/TG 16:0_16:0_16:1 | [M+NH4]+ | C51H96O6 | TG | 15.50 ± 1.73 |
142 | 8.713 | 820.7387 | TG 48:2|TG 14:0_16:0_18:2 | [M+NH4]+ | C51H94O6 | TG | 97.33 ± 17.62 |
143 | 8.972 | 834.7506 | TG 49:2|TG 15:0_16:0_18:2 | [M+NH4]+ | C52H96O6 | TG | 41.98 ± 2.67 |
144 | 8.634 | 832.7381 | TG 49:3|TG 16:0_15:1_18:2 | [M+NH4]+ | C52H94O6 | TG | 36.08 ± 4.77 |
145 | 9.954 | 852.7994 | TG 50:0|TG 16:0_16:0_18:0 | [M+NH4]+ | C53H102O6 | TG | 83.42 ± 13.03 |
146 | 9.553 | 850.7856 | TG 50:1|TG 16:0_16:0_18:1 | [M+NH4]+ | C53H100O6 | TG | 2563.84 ± 321.36 |
147 | 9.17 | 848.7705 | TG 50:2|TG 16:0_16:0_18:2 | [M+NH4]+ | C53H98O6 | TG | 15,433.4 ± 1243.63 |
148 | 8.797 | 846.7551 | TG 50:3|TG 16:0_16:0_18:3 | [M+NH4]+ | C53H96O6 | TG | 393.98 ± 70.02 |
149 | 8.357 | 844.7397 | TG 50:4|TG 14:0_18:2_18:2 | [M+NH4]+ | C53H94O6 | TG | 60.27 ± 11.04 |
150 | 9.793 | 864.799 | TG 51:1|TG 16:0_17:0_18:1 | [M+NH4]+ | C54H102O6 | TG | 19.04 ± 2.01 |
151 | 9.424 | 862.7835 | TG 51:2|TG 16:0_17:0_18:2 | [M+NH4]+ | C54H100O6 | TG | 128.18 ± 5.95 |
152 | 9.066 | 860.7667 | TG 51:3|TG 16:0_17:1_18:2 | [M+NH4]+ | C54H98O6 | TG | 26.49 ± 2.43 |
153 | 8.619 | 858.7512 | TG 51:4|TG 15:0_18:2_18:2 | [M+NH4]+ | C54H96O6 | TG | 51.37 ± 6.93 |
154 | 10.373 | 880.8313 | TG 52:0|TG 16:0_18:0_18:0 | [M+NH4]+ | C55H106O6 | TG | 37.16 ± 6.55 |
155 | 9.984 | 878.8175 | TG 52:1|TG 16:0_18:0_18:1 | [M+NH4]+ | C55H104O6 | TG | 1301.48 ± 206.72 |
156 | 9.633 | 876.8012 | TG 52:2|TG 16:0_18:0_18:2 | [M+NH4]+ | C55H102O6 | TG | 8843.51 ± 854.57 |
157 | 9.227 | 874.7888 | TG 52:3|TG 16:0_18:1_18:2 | [M+NH4]+ | C55H100O6 | TG | 5707.01 ± 503.57 |
158 | 8.83 | 872.7711 | TG 52:4|TG 16:0_18:2_18:2 | [M+NH4]+ | C55H98O6 | TG | 16,132.45 ± 1269.98 |
159 | 8.46 | 870.7558 | TG 52:5|TG 16:0_18:2_18:3 | [M+NH4]+ | C55H96O6 | TG | 1460.96 ± 308.25 |
160 | 8.09 | 868.7389 | TG 52:6|TG 16:0_18:3_18:3 | [M+NH4]+ | C55H94O6 | TG | 26.70 ± 6.32 |
161 | 10.198 | 892.8311 | TG 53:1|TG 17:0_18:0_18:1 | [M+NH4]+ | C56H106O6 | TG | 7.41 ± 0.98 |
162 | 9.855 | 890.8171 | TG 53:2|TG 17:0_18:0_18:2 | [M+NH4]+ | C56H104O6 | TG | 59.35 ± 5.01 |
163 | 9.452 | 888.8031 | TG 53:3|TG 17:0_18:1_18:2 | [M+NH4]+ | C56H102O6 | TG | 39.12 ± 1.76 |
164 | 9.071 | 886.7877 | TG 53:4|TG 17:0_18:2_18:2 | [M+NH4]+ | C56H100O6 | TG | 56.52 ± 6.54 |
165 | 8.707 | 884.7674 | TG 53:5|TG 17:0_18:2_18:3 | [M+NH4]+ | C56H98O6 | TG | 13.14 ± 3.22 |
166 | 10.75 | 908.8629 | TG 54:0|TG 16:0_18:0_20:0 | [M+NH4]+ | C57H110O6 | TG | 11.35 ± 2.42 |
167 | 10.395 | 906.8478 | TG 54:1|TG 16:0_20:0_18:1 | [M+NH4]+ | C57H108O6 | TG | 524.05 ± 89.67 |
168 | 10.056 | 904.8348 | TG 54:2|TG 16:0_20:0_18:2 | [M+NH4]+ | C57H106O6 | TG | 4254.17 ± 523.25 |
169 | 9.666 | 902.8181 | TG 54:3|TG 18:0_18:1_18:2 | [M+NH4]+ | C57H104O6 | TG | 1873.53 ± 213 |
170 | 9.311 | 900.803 | TG 54:4|TG 18:0_18:2_18:2 | [M+NH4]+ | C57H102O6 | TG | 3713.62 ± 253.08 |
171 | 8.892 | 898.7906 | TG 54:5|TG 18:1_18:2_18:2 | [M+NH4]+ | C57H100O6 | TG | 2189.29 ± 160.77 |
172 | 8.488 | 896.7725 | TG 54:6|TG 18:2_18:2_18:2 | [M+NH4]+ | C57H98O6 | TG | 4025.69 ± 559.05 |
173 | 8.107 | 894.7582 | TG 54:7|TG 18:2_18:2_18:3 | [M+NH4]+ | C57H96O6 | TG | 308.01 ± 56.35 |
174 | 10.584 | 920.8643 | TG 55:1|TG 16:0_21:0_18:1 | [M+NH4]+ | C58H110O6 | TG | 5.27 ± 1.86 |
175 | 10.259 | 918.8485 | TG 55:2|TG 16:0_21:0_18:2 | [M+NH4]+ | C58H108O6 | TG | 74.37 ± 12.78 |
176 | 11.117 | 936.8935 | TG 56:0|TG 16:0_18:0_22:0 | [M+NH4]+ | C59H114O6 | TG | 6.13 ± 0.95 |
177 | 10.775 | 934.882 | TG 56:1|TG 18:0_20:0_18:1 | [M+NH4]+ | C59H112O6 | TG | 103.09 ± 22.17 |
178 | 10.452 | 932.8689 | TG 56:2|TG 18:0_20:0_18:2 | [M+NH4]+ | C59H110O6 | TG | 1225.38 ± 193.62 |
179 | 10.098 | 930.851 | TG 56:3|TG 20:0_18:1_18:2 | [M+NH4]+ | C59H108O6 | TG | 593.99 ± 75.39 |
180 | 9.75 | 928.8354 | TG 56:4|TG 20:0_18:2_18:2 | [M+NH4]+ | C59H106O6 | TG | 1382.45 ± 140.08 |
181 | 9.381 | 926.8179 | TG 56:5|TG 20:0_18:2_18:3 | [M+NH4]+ | C59H104O6 | TG | 153.43 ± 14.49 |
182 | 8.958 | 924.7989 | TG 56:6|TG 20:1_18:2_18:3 | [M+NH4]+ | C59H102O6 | TG | 18.45 ± 2.23 |
183 | 10.644 | 946.8822 | TG 57:2|TG 16:0_23:0_18:2 | [M+NH4]+ | C60H112O6 | TG | 88.96 ± 21.60 |
184 | 10.29 | 944.8629 | TG 57:3|TG 21:0_18:1_18:2 | [M+NH4]+ | C60H110O6 | TG | 11.52 ± 2.00 |
185 | 9.943 | 942.8513 | TG 57:4|TG 21:0_18:2_18:2 | [M+NH4]+ | C60H108O6 | TG | 27.24 ± 1.39 |
186 | 11.445 | 964.9293 | TG 58:0|TG 16:0_18:0_24:0 | [M+NH4]+ | C61H118O6 | TG | 1.85 ± 0.27 |
187 | 11.137 | 962.9146 | TG 58:1|TG 16:0_24:0_18:1 | [M+NH4]+ | C61H116O6 | TG | 33.88 ± 4.51 |
188 | 10.83 | 960.8977 | TG 58:2|TG 16:0_24:0_18:2 | [M+NH4]+ | C61H114O6 | TG | 410.34 ± 71.01 |
189 | 10.481 | 958.8819 | TG 58:3|TG 22:0_18:1_18:2 | [M+NH4]+ | C61H112O6 | TG | 97.2 ± 17.00 |
190 | 10.155 | 956.8651 | TG 58:4|TG 22:0_18:2_18:2 | [M+NH4]+ | C61H110O6 | TG | 245.39 ± 42.5 |
191 | 9.836 | 954.8525 | TG 58:5|TG 22:0_18:2_18:3 | [M+NH4]+ | C61H108O6 | TG | 13.39 ± 2.75 |
192 | 11.304 | 976.9302 | TG 59:1|TG 16:0_25:0_18:1 | [M+NH4]+ | C62H118O6 | TG | 4.3 ± 0.62 |
193 | 11.01 | 974.9142 | TG 59:2|TG 16:0_25:0_18:2 | [M+NH4]+ | C62H116O6 | TG | 48.72 ± 7.73 |
194 | 10.674 | 972.8973 | TG 59:3|TG 23:0_18:1_18:2 | [M+NH4]+ | C62H114O6 | TG | 12.08 ± 2.99 |
195 | 10.344 | 970.8828 | TG 59:4|TG 23:0_18:2_18:2 | [M+NH4]+ | C62H112O6 | TG | 39.24 ± 8.01 |
196 | 11.765 | 992.9612 | TG 60:0|TG 16:0_20:0_24:0 | [M+NH4]+ | C63H122O6 | TG | 1.15 ± 0.28 |
197 | 11.465 | 990.9445 | TG 60:1|TG 16:0_26:0_18:1 | [M+NH4]+ | C63H120O6 | TG | 8.11 ± 0.65 |
198 | 11.184 | 988.9325 | TG 60:2|TG 16:0_26:0_18:2 | [M+NH4]+ | C63H118O6 | TG | 86.84 ± 5.72 |
199 | 10.851 | 986.9174 | TG 60:3|TG 24:0_18:1_18:2 | [M+NH4]+ | C63H116O6 | TG | 46.77 ± 6.62 |
200 | 10.536 | 984.8977 | TG 60:4|TG 24:0_18:2_18:2 | [M+NH4]+ | C63H114O6 | TG | 134.64 ± 16.89 |
201 | 10.243 | 982.8888 | TG 60:5|TG 24:0_18:2_18:3 | [M+NH4]+ | C63H112O6 | TG | 6.53 ± 1.10 |
202 | 11.626 | 1004.964 | TG 61:1|TG 18:0_25:0_18:1 | [M+NH4]+ | C64H122O6 | TG | 0.80 ± 0.07 |
203 | 11.346 | 1002.947 | TG 61:2|TG 18:0_25:0_18:2 | [M+NH4]+ | C64H120O6 | TG | 7.92 ± 1.08 |
204 | 11.023 | 1000.929 | TG 61:3|TG 25:0_18:1_18:2 | [M+NH4]+ | C64H118O6 | TG | 6.45 ± 1.03 |
205 | 10.731 | 998.915 | TG 61:4|TG 25:0_18:2_18:2 | [M+NH4]+ | C64H116O6 | TG | 20.13 ± 3.34 |
206 | 12.064 | 1020.994 | TG 62:0|TG 20:0_20:0_22:0 | [M+NH4]+ | C65H126O6 | TG | 1.39 ± 0.42 |
207 | 11.786 | 1018.98 | TG 62:1|TG 18:0_26:0_18:1 | [M+NH4]+ | C65H124O6 | TG | 0.99 ± 0.04 |
208 | 11.514 | 1016.964 | TG 62:2|TG 18:0_26:0_18:2 | [M+NH4]+ | C65H122O6 | TG | 9.31 ± 0.50 |
209 | 11.204 | 1014.949 | TG 62:3|TG 26:0_18:1_18:2 | [M+NH4]+ | C65H120O6 | TG | 9.49 ± 0.85 |
210 | 10.908 | 1012.931 | TG 62:4|TG 26:0_18:2_18:2 | [M+NH4]+ | C65H118O6 | TG | 20.87 ± 0.93 |
211 | 2.59 | 331.2843 | MG 16:0 | [M+H]+ | C19H38O4 | MG | 1199.53 ± 168.11 |
212 | 3.09 | 359.3156 | MG 18:0 | [M+H]+ | C21H42O4 | MG | 1711.34 ± 63.3 |
213 | 2.69 | 357.2999 | MG 18:1 | [M+H]+ | C21H40O4 | MG | 51.45 ± 4.19 |
214 | 3.56 | 387.3469 | MG 20:0 | [M+H]+ | C23H46O4 | MG | 39.13 ± 2.38 |
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Liu, Y.; Chen, M.; Li, Y.; Feng, X.; Chen, Y.; Lin, L. Analysis of Lipids in Green Coffee by Ultra-Performance Liquid Chromatography–Time-of-Flight Tandem Mass Spectrometry. Molecules 2022, 27, 5271. https://doi.org/10.3390/molecules27165271
Liu Y, Chen M, Li Y, Feng X, Chen Y, Lin L. Analysis of Lipids in Green Coffee by Ultra-Performance Liquid Chromatography–Time-of-Flight Tandem Mass Spectrometry. Molecules. 2022; 27(16):5271. https://doi.org/10.3390/molecules27165271
Chicago/Turabian StyleLiu, Yijun, Min Chen, Yimin Li, Xingqin Feng, Yunlan Chen, and Lijing Lin. 2022. "Analysis of Lipids in Green Coffee by Ultra-Performance Liquid Chromatography–Time-of-Flight Tandem Mass Spectrometry" Molecules 27, no. 16: 5271. https://doi.org/10.3390/molecules27165271