Table 2. Identification of SPLs in parental and dox-resistant MCF-7 cells using UHPLC-Q-TOF.
| Class | Name | [M+H]+m/z | RT [min] | Molecular Formula | Calculated mass | Measured Mass | Intensity (parental) | Intensity (resistant) | MS/MS Fragments (m/z) |
|---|---|---|---|---|---|---|---|---|---|
| SM | d18:1/14:0 | 675.5396 | 12.12 | C37H75N2O6P | 674.5363 | 674.53229 | 33728 | 26032.5 | 264.2676, 184.0732 |
| d18:1/16:0 | 703.572 | 13.38 | C39H79N2O6P | 702.5676 | 702.5647 | 337289 | 316080.5 | 264.2694, 184.0731 | |
| d18:1/16:1 | 701.5569 | 12.32 | C39H77N2O6P | 700.5519 | 700.54958 | 0 | 45940 | 264.2645, 184.0732 | |
| d18:1/17:0 | 717.5873 | 14.19 | C40H81N2O6P | 716.5832 | 716.57999 | 8836 | 23683 | 264.2622, 184.0731 | |
| d18:1/18:0 | 731.6032 | 15.19 | C41H83N2O6P | 730.5989 | 730.5959333 | 54133.5 | 271639.75 | 264.2678, 184.0731 | |
| d18:1/22:0 | 787.6647 | 18.16 | C45H91N2O6P | 786.6615 | 786.65746 | 43480 | 24653 | 264.2655, 184.0733 | |
| d18:1/22:1 | 785.6512 | 16.83 | C45H89N2O6P | 784.6458 | 784.64391 | 12693 | 5106.5 | 264.2688, 184.0731 | |
| d18:1/24:0 | 815.6958 | 20.12 | C47H95N2O6P | 814.6928 | 814.68852 | 0 | 46835.5 | 264.2668, 184.0730 | |
| d18:1/24:2 | 811.6665 | 16.78 | C47H91N2O6P | 810.6615 | 810.65925 | 0 | 12368.66667 | 264.2702, 184.0734 | |
| d18:1/12:0 [IS-1] | 647.511 | 11.01 | C35H71N2O6P | 646.505 | 646.50369 | 31636 | 27597.5 | 264.2699, 184.0732 | |
| d18:1/14:0 | 675.5396 | 12.12 | C37H75N2O6P | 674.5363 | 674.53229 | 33728 | 26032.5 | 264.2676, 184.0732 | |
| d18:1/15:0 | 689.5563 | 12.75 | C38H77N2O6P | 688.5519 | 688.549 | 19384 | 0 | 264.2750, 184.0732 | |
| d18:1/16:0 | 703.572 | 13.38 | C39H79N2O6P | 702.5676 | 702.5647 | 337289 | 316080.5 | 264.2694, 184.0731 | |
| d18:1/17:0 | 717.5873 | 14.19 | C40H81N2O6P | 716.5832 | 716.57999 | 8836 | 23683 | 264.2622, 184.0731 | |
| d18:1/18:0 | 731.6032 | 15.19 | C41H83N2O6P | 730.5989 | 730.5959333 | 54133.5 | 271639.75 | 264.2678, 184.0731 | |
| d18:1/20:0 | 759.6338 | 16.56 | C43H87N2O6P | 758.6302 | 758.62651 | 33426.5 | 0 | 264.2734, 184.0731 | |
| d18:1/22:0 | 787.6647 | 18.16 | C45H91N2O6P | 786.6615 | 786.65746 | 43480 | 24653 | 264.2655, 184.0733 | |
| d18:1/23:0 | 801.6848 | 19.12 | C46H93N2O6P | 800.6771 | 800.67752 | 7011.3 | 0 | 264.2674, 184.0731 | |
| d18:1/23:1 | 799.6669 | 17.23 | C46H91N2O6P | 798.6615 | 798.65961 | 10210.5 | 0 | 282.2457, 264.2695, 184.0731 | |
| d18:1/24:1 | 813.6803 | 18 | C47H93N2O6P | 812.6771 | 812.67298 | 68022.5 | 57065.5 | 264.2697, 184.0735 | |
| DHSM | d18:0/16:0 | 705.5865 | 14.07 | C39H81N2O6P | 704.5832 | 704.57922 | 75576 | 125088.5 | 184.0735 |
| d18:0/22:0 | 789.6799 | 19.03 | C45H93N2O6P | 788.6771 | 788.67262 | 8472 | 0 | 184.0734 | |
| d18:0/20:0 | 761.65 | 17.25 | C43H89N2O6P | 760.6458 | 760.64277 | 11162.5 | 0 | 184.0724 | |
| Cer | d18:1/16:0 | 538.5198 | 13.63 | C34H67NO3 | 537.5121 | 537.51026 | 83232 | 0 | 264.2684 |
| d18:1/22:0 | 622.6098 | 17.92 | C40H79NO3 | 621.6077 | 621.60398 | 23370 | 0 | 264.27 | |
| d18:1/24:0 | 650.641 | 19.87 | C42H83NO3 | 649.6373 | 649.63383 | 44372.7 | 66850 | 632.6290, 614.6156, 264.2683 | |
| d18:1/12:0 [IS-2] | 482.4574 | 10.99 | C30H59NO3 | 481.4501 | 481.4495 | 28250.75 | 12981 | 264.2678 | |
| DHCer | d18:0/16:0 | 540.5304 | 14.12 | C34H69NO3 | 539.5277 | 539.52313 | 15382 | 15030 | 266.2833 |
| HexCer | d18:1/12:0 [IS-4] | 647.5082 | 10.98 | C36H69NO8 | 643.5023 | 643.50089 | 13726.8 | 13440.5 | 264.2684 |
| d18:1/16:0 | 700.571 | 12.73 | C40H77NO8 | 699.5649 | 699.56332 | 44430.7 | 0 | 264.2694 | |
| d18:1/18:0 | 728.6006 | 14.16 | C42H81NO8 | 728.0944 | 727.59332 | 6165.3 | 0 | ||
| d18:1/24:0 | 812.695 | 18.5 | C48H93NO8 | 811.6901 | 811.68775 | 47247.5 | 0 | 632.6302, 264.2684 | |
| d20:1/24:1 | 838.7109 | 18.38 | C50H95NO8 | 838.2912 | 837.70361 | 18574.7 | 0 | ||
| C1P | d18:1/12:0 [IS-3] | 562.4223 | 10.006 | C30H60NO6P | 561.4149 | 561.4158 | 13691.3 | 13438 | 264.2688 |
| LacCer | d18:1/12:0 [IS-5] | 806.5624 | 10.189 | C42H79NO13 | 805.5549 | 805.5551 | 13397 | 13731.5 | 464.4472, 264.2683 |
| Sa | d17:0 [IS-6] | 288.2901 | 6.632 | C17H37NO2 | 287.2829 | 287.2824 | 13711.5 | 14786.8 | 270.2794 |
| So | d17:1 [IS-7] | 286.3106 | 6.558 | C18H39NO | 285.3034 | 285.3032 | 24728.8 | 18328.8 | 268.2643 |
| Sa1P | d17:0 [IS-8] | 368.2574 | 6.774 | C17H38NO5P | 367.2504 | 367.2488 | 14679.5 | 28366.8 |