Table 1 Identification and quantification of SPLs in A2780/A2780T cells by using UHPLC-Q-TOF and UHPLC-QQQ MS.
Class | Name | [M + H]+ m/z | tR (min) | Molecular Formula | Measured Mass | Calculated Mass | Error (ppm) | MS/MS Fragments (m/z) | MRM transitions | |
|---|---|---|---|---|---|---|---|---|---|---|
SM | d18:1/26:0 | 843.7315 | 18.391 | C49 H99 N2 O6 P | 842.7243 | 842.7241 | 0.23 | 264.2693, 184.0732 | 843.8 | 184.1 |
d18:1/26:1 | 841.7088 | 17.057 | C49 H97 N2 O6 P | 840.7046 | 840.7084 | −4.52 | 264.2692, 184.0735 | 841.7 | 184.1 | |
d18:1/25:0 | 829.7152 | 17.641 | C48 H97 N2 O6 P | 828.7085 | 828.7084 | 0.14 | 264.2638, 184.0733 | 829.7 | 184.1 | |
d18:1/25:1 | 827.6987 | 16.441 | C48 H95 N2 O6 P | 826.6898 | 826.6928 | −3.59 | 264.2655, 184.0736 | 827.7 | 184.1 | |
d18:1/24:0 | 815.7009 | 16.974 | C47 H95 N2 O6 P | 814.6936 | 814.6928 | 1.01 | 264.2668, 184.0730 | 815.7 | 184.1 | |
d18:1/24:1 [A1] | 813.6851 | 15.807 | C47 H93 N2 O6 P | 812.6780 | 812.6771 | 1.01 | 264.2697, 184.0735 | 813.7 | 184.1 | |
d18:1/24:2 | 811.6692 | 14.907 | C47 H91 N2 O6 P | 810.6618 | 810.6615 | 0.35 | 264.2702, 184.0734 | 811.7 | 184.1 | |
d18:1/24:3 | 809.6528 | 14.173 | C47 H89 N2 O6 P | 808.6456 | 808.6458 | −0.3 | 264.2669, 184.0732 | 809.6 | 184.1 | |
d18:1/23:0 | 801.6848 | 16.324 | C46 H93 N2 O6 P | 800.6774 | 800.6771 | 0.37 | 264.2674, 184.0731 | 801.7 | 184.1 | |
d18:1/23:1 [A2] | 799.6689 | 15.174 | C46 H91 N2 O6 P | 798.6615 | 798.6615 | 0.01 | 282.2457, 264.2695, 184.0731 | 799.7 | 184.1 | |
d18:1/23:2 | 797.6507 | 14.273 | C46 H89 N2 O6 P | 796.6436 | 796.6458 | −2.84 | 264.2667, 184.0731 | 797.6 | 184.1 | |
d18:1/22:0 | 787.6692 | 15.674 | C45 H91 N2 O6 P | 786.6617 | 786.6615 | 0.32 | 264.2655, 184.0733 | 787.7 | 184.1 | |
d18:1/22:1 [A3] | 785.6533 | 14.574 | C45 H89 N2 O6 P | 784.6455 | 784.6458 | −0.45 | 264.2688, 184.0731 | 785.7 | 184.1 | |
d18:1/22:2 | 783.6374 | 13.690 | C45 H87 N2 O6 P | 782.6291 | 782.6302 | −1.32 | 264.2700, 184.0726 | 783.7 | 184.1 | |
d18:1/21:0 | 773.6527 | 15.057 | C44 H89 N2 O6 P | 772.6453 | 772.6458 | −0.68 | 264.2674, 184.0729 | 773.7 | 184.1 | |
d18:1/21:1 | 771.6340 | 14.123 | C44 H87 N2 O6 P | 770.6270 | 770.6302 | −4.13 | 264.2679, 184.0728 | 771.7 | 184.1 | |
d18:1/20:0 | 759.6372 | 14.390 | C43 H87 N2 O6 P | 758.6300 | 758.6302 | −0.21 | 264.2734, 184.0731 | 759.7 | 184.1 | |
d18:1/19:0 | 745.6213 | 13.757 | C42 H85 N2 O6 P | 744.6138 | 744.6145 | −0.95 | 264.2689, 184.0726 | 745.7 | 184.1 | |
d18:1/18:0 | 731.6068 | 13.140 | C41 H83 N2 O6 P | 730.6005 | 730.5989 | 2.16 | 264.2678, 184.0731 | 731.6 | 184.1 | |
d18:1/18:1 | 729.5906 | 12.323 | C41 H81 N2 O6 P | 728.5827 | 728.5832 | −0.75 | 264.2699, 184.0732 | 729.6 | 184.1 | |
d18:1/17:0 | 717.5911 | 12.573 | C40 H81 N2 O6 P | 716.5841 | 716.5832 | 1.17 | 264.2622, 184.0731 | 717.6 | 184.1 | |
d18:1/16:0 | 703.5754 | 12.023 | C39 H79 N2 O6 P | 702.5684 | 702.5676 | 1.11 | 264.2694, 184.0731 | 703.6 | 184.1 | |
d18:1/16:1 | 701.5604 | 11.323 | C39 H77 N2 O6 P | 700.5530 | 700.5519 | 1.53 | 264.2645, 184.0732 | 701.6 | 184.1 | |
d18:1/15:0 | 689.5595 | 11.573 | C38 H77 N2 O6 P | 688.5521 | 688.5519 | 0.27 | 264.2750, 184.0732 | 689.6 | 184.1 | |
d18:1/14:0 | 675.5427 | 11.190 | C37 H75 N2 O6 P | 674.5369 | 674.5363 | 0.96 | 264.2676, 184.0732 | 675.5 | 184.1 | |
d18:2/24:0 [A1] | 813.6848 | 16.074 | C47 H93 N2 O6 P | 812.6774 | 812.6771 | 0.33 | 262.2513, 184.0730 | 813.7 | 184.1 | |
d18:2/24:3 | 807.6350 | 14.590 | C47 H87 N2 O6 P | 806.6291 | 806.6302 | −1.29 | 262.2523, 184.0731 | 807.6 | 184.1 | |
d18:2/23:0 [A2] | 799.6690 | 15.424 | C46 H91 N2 O6 P | 798.6615 | 798.6615 | 0.09 | 262.2512, 184.0732 | 799.7 | 184.1 | |
d18:2/22:0 [A3] | 785.6531 | 14.757 | C45 H89 N2 O6 P | 784.6458 | 784.6458 | −0.07 | 262.2620, 184.0730 | 785.7 | 184.1 | |
d18:2/20:0 | 757.6213 | 13.490 | C43 H85 N2 O6 P | 756.6138 | 756.6145 | −0.93 | 262.2523, 184.0730 | 757.7 | 184.1 | |
d18:2/15:0 | 687.5433 | 10.906 | C38 H75 N2 O6 P | 686.5355 | 686.5363 | −1.17 | 262.2503, 184.0716 | 687.5 | 184.1 | |
d18:1/12:0 [IS-1] | 647.5133 | 10.389 | C35 H71 N2 O6 P | 646.5058 | 646.505 | 1.32 | 264.2699, 184.0732 | 647.5 | 184.1 | |
DHSM | d18:0/25:0 | 831.7299 | 18.324 | C48 H99 N2 O6 P | 830.7233 | 830.7241 | −0.89 | 184.0745 |  |  |
d18:0/24:0 | 817.7156 | 17.524 | C47 H97 N2 O6 P | 816.7082 | 816.7084 | −0.3 | 184.0726 | 817.7 | 184.1 | |
d18:0/23:0 | 803.6991 | 16.874 | C46 H95 N2 O6 P | 802.6919 | 802.6928 | −1.14 | 266.2781, 184.0724 | 803.7 | 184.1 | |
d18:0/22:0 | 789.6843 | 16.207 | C45 H93 N2 O6 P | 788.6769 | 788.6771 | −0.31 | 184.0734 | 789.7 | 184.1 | |
d18:0/20:0 | 761.6530 | 14.907 | C43 H89 N2 O6 P | 760.6456 | 760.6458 | −0.25 | 184.0724 | 761.7 | 184.1 | |
d18:0/19:0 | 747.6388 | 14.373 | C42 H87 N2 O6 P | 746.6310 | 746.6302 | 1.08 | 184.0727 | 747.6 | 184.1 | |
d18:0/18:0 | 733.6222 | 13.64 | C41 H85 N2 O6 P | 732.6176 | 732.6145 | 4.15 | 184.0731 | 733.7 | 184.1 | |
d18:0/17:0 | 719.5692 | 10.673 | C39 H79 N2 O7 P | 718.5617 | 718.5625 | −1.06 | 184.0725 | 719.6 | 184.1 | |
d18:0/16:0 | 705.5915 | 12.457 | C39 H81 N2 O6 P | 704.5843 | 704.5832 | 1.58 | 184.0735 | 705.6 | 184.1 | |
d18:0/15:0 | 691.5747 | 11.940 | C38 H79 N2 O6 P | 690.5685 | 690.5676 | 1.35 | 184.0731 | 691.6 | 184.1 | |
d18:0/14:0 | 677.5576 | 11.523 | C37 H77 N2 O6 P | 676.5519 | 676.5519 | 0.01 | 184.0729 | 677.5 | 184.1 | |
t18:0/16:0 | 721.5839 | 11.423 | C39 H81 N2 O7 P | 720.5769 | 720.5781 | −1.74 | 264.2685, 184.0719 | 721.6 | 184.1 | |
Cer | d18:1/24:0 | 650.6451 | 18.458 | C42 H83 N O3 | 649.6379 | 649.6373 | 0.86 | 632.6290, 614.6156, 264.2683 | 650.7 | 264.3 |
d18:1/24:1 | 648.6293 | 17.157 | C42 H81 N O3 | 647.6220 | 647.6216 | 0.62 | 630.6170, 612.6100, 264.2690 | 648.7 | 264.3 | |
d18:1/24:2 | 646.6124 | 16.224 | C42 H79 N O3 | 645.6058 | 645.6060 | −0.25 | 264.2703 | 646.7 | 264.3 | |
d18:1/23:0(OH) | 652.6250 | 16.194 | C41 H81 N O4 | 651.6185 | 651.6166 | 0.94 | 264.2697 | 652.7 | 264.3 | |
d18:1/23:0 | 636.6288 | 17.707 | C41 H81 N O3 | 635.6213 | 635.6216 | −0.48 | 264.2689 | 636.6 | 264.3 | |
d18:1/23:1 | 634.6135 | 16.507 | C41 H79 N O3 | 633.6055 | 633.6060 | −0.73 | 264.2670 | 634.6 | 264.3 | |
d18:1/22:0 | 622.6136 | 17.007 | C40 H79 N O3 | 621.6077 | 621.6060 | 2.77 | 264.2700 | 622.6 | 264.3 | |
d18:1/22:1 [A4] | 620.5983 | 15.874 | C40 H77 N O3 | 619.5893 | 619.5903 | −1.74 | 264.2684 | 620.5 | 264.3 | |
d18:1/20:0 | 594.5808 | 15.600 | C38 H75 N O3 | 593.5735 | 593.5747 | −1.22 | 264.2674 | 594.6 | 264.3 | |
d18:1/18:0 | 566.5521 | 14.340 | C36 H71 N O3 | 565.5440 | 565.5434 | 1.15 | 264.2681 | 566.6 | 264.3 | |
d18:1/18:1 | 564.5332 | 13.167 | C36 H69 N O3 | 563.5251 | 563.5277 | −4.62 | 264.2660 | 564.5 | 264.3 | |
d18:1/17:3 | 546.4890 | 10.890 | C35 H63 N O3 | 545.4819 | 545.4808 | 2.1 | 264.2701 | Â | Â | |
d18:1/16:0 | 538.5198 | 13.057 | C34 H67 N O3 | 537.5124 | 537.5121 | 0.57 | 264.2684 | 538.5 | 264.3 | |
d18:1/16:1 | 536.5045 | 12.243 | C34 H65 N O3 | 535.4974 | 535.4964 | 1.74 | 264.2694 | 536.6 | 264.3 | |
d18:1/15:3(OH) | 534.4521 | 13.906 | C33 H59 N O4 | 533.4449 | 533.4444 | 0.98 | 516.4403, 264.2706 | 534.5 | 264.3 | |
d18:1/14:3(OH) | 520.4367 | 13.473 | C32 H57 N O4 | 519.4297 | 519.4288 | 1.81 | 502.4256, 264.2679 | 520.4 | 264.3 | |
d18:2/23:1 | 632.5940 | 15.657 | C41 H77 N O3 | 631.5885 | 631.5903 | −2.86 | 262.2520 | 632.6 | 262.3 | |
d18:2/22:0 [A4] | 620.5979 | 16.074 | C40 H77 N O3 | 619.5906 | 619.5903 | 0.45 | 602.5864, 262.2610 | 620.5 | 262.3 | |
d17:1/16:0 | 524.5045 | 12.477 | C33 H65 N O3 | 523.4971 | 523.4964 | 1.27 | 250.2520 | 524.5 | 250.3 | |
d18:1/12:0 [IS-2] | 482.4574 | 10.990 | C30 H59 N O3 | 481.4501 | 481.4495 | 1.3 | 264.2678 | 482.5 | 264.3 | |
DHCer | d18:0/24:0 | 652.6607 | 19.112 | C42 H85 N O3 | 651.6533 | 651.6529 | 0.57 | 634.6377, 266.2767 | 652.7 | 266.3 |
d18:0/18:3 | 562.5197 | 15.924 | C36 H67 N O3 | 561.5122 | 561.5121 | 0.25 | 266.2797 | Â | Â | |
d18:0/16:0 | 540.5354 | 13.507 | C34 H69 N O3 | 539.5273 | 539.5277 | −0.86 | 266.2833 | 540.5 | 266.3 | |
d18:0/17:0(OH) | 570.5458 | 13.408 | C35 H71 N O4 | 569.5383 | 569.5383 | 0.05 | 266.2642 | Â | Â | |
d18:0/16:0(OH) | 556.5300 | 12.373 | C34 H69 N O4 | 555.5227 | 555.5227 | 0.05 | 266.2857 | Â | Â | |
d18:0/14:0(OH) | 528.4993 | 11.256 | C32 H65 N O4 | 527.4921 | 527.4914 | 1.49 | 266.2831 | Â | Â | |
d17:0/13:0(OH) | 500.4682 | 11.323 | C30 H61 N O4 | 499.4608 | 499.4601 | 1.5 | 252.2673 | Â | Â | |
C1P | d18:1/19:0(OH) | 676.5279 | 11.823 | C37 H74 N O7 P | 675.5200 | 675.5203 | −0.37 | 264.2673 | 676.5 | 264.3 |
d18:1/12:2 | 558.3904 | 9.573 | C30 H56 N O6 P | 557.3832 | 557.3845 | −2.44 | 264.2677 |  |  | |
d18:1/12:0 [IS-3] | 562.4223 | 10.006 | C30 H60 N O6 P | 561.4149 | 561.4158 | −1.72 | 264.2688 | 562.5 | 264.3 | |
HexCer | d18:1/26:0 | 840.7282 | 18.374 | C50 H97 N O8 | 839.7213 | 839.7214 | −0.11 | 264.2774 | 840.7 | 264.3 |
d18:1/24:0 | 812.6975 | 16.957 | C48 H93 N O8 | 811.6901 | 811.6901 | −0.07 | 632.6302, 264.2684 | 812.7 | 264.3 | |
d18:1/24:1 | 810.6800 | 15.807 | C48 H91 N O8 | 809.6728 | 809.6745 | −2.01 | 630.6137, 264.2676 | 810.6 | 264.3 | |
d18:1/23:0 | 798.6816 | 16.307 | C47 H91 N O8 | 797.6738 | 797.6745 | −0.85 | 618.6106, 264.2682 | 798.7 | 264.3 | |
d18:1/22:0 | 784.6656 | 15.674 | C46 H89 N O8 | 783.6580 | 783.6588 | −1.02 | 604.6012, 264.2689 | 784.7 | 264.3 | |
d18:1/20:1 | 754.6178 | 13.173 | C44 H83 N O8 | 753.6105 | 753.6119 | −1.77 | 264.2691 | 754.6 | 264.3 | |
d18:1/16:0 | 700.5722 | 12.040 | C40 H77 N O8 | 699.5645 | 699.5649 | −0.6 | 264.2694 | 700.6 | 264.3 | |
d18:1/12:0 [IS-4] | 644.5101 | 10.406 | C36 H69 N O8 | 643.5028 | 643.5023 | 0.78 | 264.2684 | 644.5 | 264.3 | |
LacCer | d18:1/24:0 | 974.7501 | 16.324 | C54 H103 N O13 | 973.7440 | 973.7429 | 1.05 | 794.6828, 614.6288, 264.2674 | 974.8 | 264.3 |
d18:1/24:1 | 972.7323 | 15.19 | C54 H101 N O13 | 971.7247 | 971.7273 | −2.65 | 264.2694 | 972.8 | 264.3 | |
d18:1/22:0 | 946.7175 | 15.057 | C52 H99 N O13 | 945.7100 | 945.7116 | −1.7 | 766.3514, 264.2723 | 946.8 | 264.3 | |
d18:1/20:0 | 918.6891 | 13.990 | C50 H95 N O13 | 917.6815 | 917.6803 | 1.22 | 264.2665 | Â | Â | |
d18:1/18:0 | 890.6541 | 12.660 | C48 H91 N O13 | 889.6463 | 889.6490 | −3.07 |  | 890.7 | 264.3 | |
d18:1/16:0 | 862.6245 | 11.623 | C46 H87 N O13 | 861.6175 | 861.6177 | −0.26 | 844.6130, 520.5112, 502.4944, 264.2688 | 862.7 | 264.3 | |
d18:1/12:0 [IS-5] | 806.5624 | 10.189 | C42 H79 N O13 | 805.5549 | 805.5551 | −0.26 | 464.4472, 264.2683 | 806.7 | 264.3 | |
Sa | d19:0 | 316.3202 | 6.532 | C19 H41 N O2 | 315.3141 | 315.3137 | 1.23 | 298.3106, 280.2984 | 316.3 | 298.3 |
d16:0 | 274.2742 | 4.842 | C16 H35 N O2 | 273.2669 | 273.2668 | 0.43 | 256.2604 | 274.3 | 256.3 | |
t19:0 | 332.3166 | 6.691 | C19 H41 N O3 | 331.3093 | 331.3086 | 1.87 | 314.3032, 296.2776 | 332.3 | 314.3 | |
t17:0 | 304.2855 | 5.841 | C17 H37 N O3 | 303.2782 | 303.2773 | 2.68 | 286.2729 | Â | Â | |
Capnine | 352.2519 | 5.075 | C17 H37 N O4 S | 351.2445 | 351.2443 | 0.47 | 316.1840 | Â | Â | |
Enigmol | 302.3050 | 6.765 | C18 H39 N O2 | 301.2978 | 301.2981 | −1.66 | 284.2934 | 302.4 | 284.3 | |
Xestoaminol C | 230.2481 | 2.060 | C14 H31 N O | 229.2408 | 229.2406 | 1.01 | 212.2380 | 230.3 | 212.3 | |
d17:0 [IS-6] | 288.2901 | 6.632 | C17 H37 N O2 | 287.2829 | 287.2824 | 1.65 | 270.2794 | 288.3 | 270.3 | |
So | d19:1 | 314.3056 | 10.673 | C19 H39 N O2 | 313.2983 | 313.2981 | 0.69 | 296.3320 | 314.3 | 296.3 |
d18:1 | 300.2898 | 6.741 | C18 H37 N O2 | 299.2824 | 299.2824 | −0.08 | 282.2780, 264.2669 | 300.3 | 282.3 | |
d16:1 | 272.2582 | 5.418 | C16 H33 N O2 | 271.2505 | 271.2511 | −2.36 | 254.2849 | 272.3 | 254.2 | |
d16:3 | 268.2277 | 6.458 | C16 H29 N O2 | 267.2203 | 267.2198 | 1.82 | 250.2529, 238.2509 | Â | Â | |
d15:3 | 254.2117 | 4.358 | C15 H27 N O2 | 253.2045 | 253.2042 | 1.08 | 236.1994 | |||
t19:1 | 330.3009 | 6.405 | C19 H39 N O3 | 329.2936 | 329.293 | 1.9 | 312.3288 | 330.3 | 312.3 | |
t19:2 | 328.2852 | 8.274 | C19 H37 N O3 | 327.2777 | 327.2773 | 1.13 | 310.3129 | 328.3 | 310.3 | |
t18:1 | 316.2850 | 6.874 | C18 H37 N O3 | 315.2776 | 315.2773 | 0.88 | 298.2911 | 316.3 | 298.3 | |
t17:1 | 302.2696 | 7.024 | C17 H35 N O3 | 301.2624 | 301.2617 | 2.21 | 284.2947 | 302.3 | 284.3 | |
N,N-dimethylSo | 328.3210 | 9.473 | C20 H41 N O2 | 327.3136 | 327.3137 | −0.24 | 310.3091 | 328.3 | 310.3 | |
Halaminol A | 228.2319 | 6.891 | C14 H29 N O | 227.2246 | 227.2249 | −1.17 | 210.0276 | 228.2 | 210.0 | |
d17:1 [IS-7] | 286.3106 | 6.558 | C18 H39 N O | 285.3034 | 285.3032 | 0.74 | 268.2643 | 286.3 | 268.3 | |
Sa1P | d17:0 [IS-8] | 368.2574 | 6.774 | C17 H38 N O5 P | 367.2504 | 367.2488 | 4.57 | Â | 368.3 | 270.3 |
So1P | d17:1 [IS-9] | 366.2406 | 6.558 | C17 H36 N O5 P | 365.2331 | 365.2331 | 0.03 | 250.2510 | 366.2 | 250.3 |