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Fig. 3 MS/MS identification of palmitamide. Fig. 4 MS/MS identification of LPC 18:1. Both protonated and sodiated ions were detected in plasma sample.

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Presentation on theme: "Fig. 3 MS/MS identification of palmitamide. Fig. 4 MS/MS identification of LPC 18:1. Both protonated and sodiated ions were detected in plasma sample."— Presentation transcript:

1 Fig. 3 MS/MS identification of palmitamide

2 Fig. 4 MS/MS identification of LPC 18:1. Both protonated and sodiated ions were detected in plasma sample.

3 Fig. 5 MS/MS identification of GCDCA

4 Oleamide standard m/z 6080100120140160180200220240260280 % 0 100 % 0 97.0982 83.0919 69.0805 67.0679 111.1032 121.1098 135.1219 149.1362 247.2457 163.1521 240.2720 177.1670 191.1814 282.2817 265.2626 Plasma sample 97.0910 83.0928 69.0749 67.0564 57.0731 109.1698 111.0652 282.2414 265.2572 114.0703 135.1138 149.1301 240.2615 154.0719 177.1645 191.1799 ES + m/z Fig. S-1 MS/MS identification of Oleamide

5 Fig. S-2 MS/MS identification of TCDCA

6 Fig. S-3 MS/MS identification of myristamide

7 Fig. S-4 MS/MS identification of stearamide

8 LPC 16:0 standard m/z 50100150200250300350400450500 % 0 100 % 0 ES + 184.0711 104.1067 86.1029 105.1241 184.4662 478.3609 185.0922 313.3015 258.1380 186.0959 419.2963 496.3661 497.3843 Plasma sample ES + 184.0789 104.1128 86.1055 105.0450 496.3280 478.3276 185.0637 313.2797 258.1137 186.9308 419.2554 332.2552 497.3416 498.3250 m/z Fig. S-5 MS/MS identification of LPC 16:0

9 Fig. S-6 Identification of LPC 18:2 based on characteristic peak of LPC m/z 104, m/z 184 and parent ion m/z 542.3228.

10 Glycocholic acid hydrate standard C26H43NO6 m/z 5075100125150175200225250275300325350375400425450 % 0 100 % 0 ES + 412.2867 337.2607 319.2397 227.1719 209.1627 158.0823 76.1665 135.1138 241.1799 338.2763 339.2040 430.2945 431.3157 466.3542 ES + 412.3047 337.2750 319.2731 227.1730 209.1612 158.1251 76.0700 228.3072295.2467 338.2969 339.2534 430.3129 466.3375 m/z Plasma sample Fig. S-7 MS/MS identification of GCA

11 m/z 50100150200250300350400450500550600 % 0 100 % 0 % 0 LPC 18:0 standard ES + 104.1067 184.0711 104.4039 524.3940 184.4712 506.3883 185.0922 341.3346 258.1380 447.3288 525.4153 Plasma sample ES + 184.0249 103.7603 104.7070 524.3646 506.3623 185.0236 341.3194 258.1206 447.2833 448.2986 525.3730 526.3519 Plasma sample ES + 487.2747 103.7638 104.7008 146.8406 341.3151 202.9821253.3541 443.2455 367.9944 546.3552 488.2690 489.2509 547.3658 548.3325 m/z [M+H] + [M+Na] + Fig. S-8 MS/MS identification of LPC 18:0

12 Taurocholic acid sodium salt hydrate standard m/z 50100150200250300350400450500550 % 0 100 % 0 ES + 148.0083 130.9771 74.5704 502.2596 484.2509 413.2638 395.2544 359.2393 149.9551 337.2541 229.1861 295.2061 414.2677 538.2867 Plasma sample ES + 462.2679 337.2772 126.0481 76.0389 93.0650 227.1530 199.1515 147.1109 295.2412 227.8371 338.2509 393.4777 463.2744 480.2889 498.2852 520.2637 516.2452 m/z Fig. S-9 MS/MS identification of TCA

13 Fig. S-10 Identification of LPC 20:4 based on characteristic peaks of LPCs: m/z 104, m/z 184 and the parent ion m/z 544.3327. m/z 50100150200250300350400450500550600 % 0 100 % 0 Plasma sample (LPC 20:4 ) ES + 184.0252 103.7619 104.7158 544.3327 526.3320 185.0208 258.1243 484.2587 361.2805 311.9883 467.2707 545.3466 546.3611 Plasma sample (LPC 20:4) ES + 507.2515 103.7680 80.5386 184.0588 383.2686 185.9560231.7320463.2348 566.3214 508.2533 508.9948 567.3260 569.3107 m/z [M+H] + [M+Na] +


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