Fig. 3 MS/MS identification of palmitamide. Fig. 4 MS/MS identification of LPC 18:1. Both protonated...
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Fig. 3 MS/MS identification of palmitamide
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Transcript of Fig. 3 MS/MS identification of palmitamide. Fig. 4 MS/MS identification of LPC 18:1. Both protonated...
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.
Fig. 5 MS/MS identification of GCDCA
Oleamide standard
m/z60 80 100 120 140 160 180 200 220 240 260 280
%
0
100
%
0
100 97.098283.0919
69.0805
67.0679
111.1032
121.1098 135.1219
149.1362247.2457163.1521 240.2720177.1670
191.1814282.2817265.2626
Plasma sample97.0910
83.0928
69.0749
67.0564
57.0731
109.1698
111.0652282.2414265.2572114.0703 135.1138
149.1301 240.2615154.0719
177.1645191.1799
ES+
ES+
m/z
Fig. S-1 MS/MS identification of Oleamide
Sodium taurochenodeoxycholate standard (C26H44NNaO6S )
m/z50 100 150 200 250 300 350 400 450 500 550 600
%
0
100
%
0
100
ES+ 148.0102
98.4642
486.2664
148.9356361.2490
150.8724322.2953230.0896 257.2013 379.3045 468.3046
487.2825
522.2885562.9979
ES+ 464.2926
339.2896126.0596
121.1372
321.2859229.2090215.2148148.0559 243.2211
257.2239
340.3121382.2380
400.4286
465.3123
466.3018
467.2372508.3459554.6915
m/z
Plasma sample
Fig. S-2 MS/MS identification of TCDCA
m/z50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
%
0
100
%
0
100
ES+ 88.0837
74.0703
69.0842
228.2312
102.1001
89.0029 116.1161
130.1229144.1373158.1525172.1697186.1868200.1963210.2241
229.2378
230.2383
233.9384
Plasma sample ES+ 228.235488.0830
74.0693
57.0619
102.0994
88.9649
116.1067
130.1229 172.1677144.1418158.1574 186.1515191.1803 225.1407
229.2067
230.0851
myristamide
m/z
Fig. S-3 MS/MS identification of myristamide
Stearamide standard
m/z60 80 100 120 140 160 180 200 220 240 260 280
%
0
100
%
0
100
ES+ 284.2934
88.0828
74.0714
102.0969
116.1103 130.1280 158.1555200.2066 228.2274 242.2732
285.3041
286.2861
Plasma sample ES+ 284.2927
88.0861
74.1007
102.1337
116.1105241.0998211.0784200.2159
158.1562282.3272
285.3134
286.1303
m/z
Fig. S-4 MS/MS identification of stearamide
LPC 16:0 standard
m/z50 100 150 200 250 300 350 400 450 500
%
0
100
%
0
100
ES+ 184.0711104.1067
86.1029105.1241
184.4662478.3609
185.0922 313.3015258.1380186.0959 419.2963
496.3661497.3843
Plasma sample ES+ 184.0789
104.1128
86.1055 105.0450
496.3280
478.3276185.0637
313.2797258.1137186.9308 419.2554332.2552
497.3416
498.3250
m/z
Fig. S-5 MS/MS identification of LPC 16:0
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.
m/z50 100 150 200 250 300 350 400 450 500
%
0
100
Plasma sample (LPC 18:2) ES+ 184.0269
103.7673
85.6168104.6734
483.2430
185.0532
258.1241186.7824 337.2780359.2711439.2175
542.3228484.2688
Glycocholic acid hydrate standard C26H43NO6
m/z50 75 100 125 150 175 200 225 250 275 300 325 350 375 400 425 450
%
0
100
%
0
100
ES+ 412.2867
337.2607
319.2397227.1719
209.1627158.082376.1665 135.1138 241.1799
338.2763
339.2040
430.2945
431.3157
466.3542
ES+ 412.3047
337.2750
319.2731
227.1730209.1612158.125176.0700 228.3072 295.2467
338.2969
339.2534
430.3129
466.3375
m/z
Plasma sample
Fig. S-7 MS/MS identification of GCA
m/z50 100 150 200 250 300 350 400 450 500 550 600
%
0
100
%
0
100
%
0
100
LPC 18:0 standard ES+ 104.1067 184.0711
104.4039524.3940184.4712
506.3883185.0922 341.3346258.1380 447.3288
525.4153
Plasma sample ES+ 184.0249
103.7603
104.7070
524.3646
506.3623185.0236341.3194258.1206
447.2833448.2986
525.3730
526.3519
Plasma sample ES+ 487.2747
103.7638
104.7008146.8406 341.3151202.9821 253.3541 443.2455367.9944
546.3552
488.2690
489.2509
547.3658
548.3325
m/z
m/z
[M+H]+
[M+H]+
[M+Na]+
Fig. S-8 MS/MS identification of LPC 18:0
Taurocholic acid sodium salt hydrate standard
m/z50 100 150 200 250 300 350 400 450 500 550
%
0
100
%
0
100
ES+ 148.0083
130.977174.5704
502.2596484.2509413.2638
395.2544
359.2393149.9551 337.2541229.1861 295.2061
414.2677
538.2867
Plasma sample ES+ 462.2679
337.2772126.0481
76.038993.0650
227.1530199.1515
147.1109 295.2412227.8371338.2509
393.4777
463.2744
480.2889
498.2852
520.2637
516.2452
m/z
Fig. S-9 MS/MS identification of TCA
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/z50 100 150 200 250 300 350 400 450 500 550 600
%
0
100
%
0
100
Plasma sample (LPC 20:4 ) ES+ 184.0252
103.7619
104.7158
544.3327
526.3320185.0208258.1243 484.2587361.2805311.9883 467.2707
545.3466
546.3611
Plasma sample (LPC 20:4) ES+ 507.2515
103.7680
80.5386
184.0588383.2686185.9560231.7320 463.2348
566.3214
508.2533
508.9948
567.3260
569.3107
m/z
[M+H]+
[M+Na]+
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