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. 2012 Dec 20;12(3):710–719. doi: 10.1074/mcp.M112.019141

Table I. Potential biomarkers identified in HCV-infected tree shrews in positive and negative mode.

Number Rate (min) m/z, determined m/z, calculated Error (ppm) Ion form Molecular formula Metabolite name VIP value Trend p value
1 4.65 520.3392 520.3403 −2.1 [M+H]+ C26H50NO7P LysoPC(18:2(9Z,12Z)/0:0) 14.3 0.00
2 4.52 520.3390 520.3403 −2.5 [M+H]+ C26H50NO7P LysoPC(0:0/18:2(9Z,12Z)) 7.3 0.00
3 4.93 991.6738 991.6728 1.0 [2 m+H]+ C24H50NO7P LysoPC(0:0/16:0) 11.5 0.00
4 4.76 496.3409 496.3403 1.2 [M+H]+ C24H50NO7P LysoPC(16:0/0:0) 8.5 0.00
5 6.02 524.3699 524.3716 −3.2 [M+H]+ C26H54NO7P LysoPC(18:0/0:0) 9.6 0.00
6 5.77 524.3732 524.3716 3.1 [M+H]+ C26H54NO7P LysoPC(0:0/18:0) 6.8 0.01
7 1.41 188.0713 118.0712 0.5 [M+H]+ C11H9NO2 Indoleacrylic acid 5.1 0.01
8 2.15 286.2013 286.2018 −1.7 [M+H]+ C15H27NO4 2-octenoylcarnitine 5.0 0.01
9 2.35 300.2160 300.2175 −5.0 [M+H]+ C16H29NO4 2-nonenoylcarnitine 4.1 0.01
10 1.94 270.0788 270.0800 −4.4 [M+H]+ C12H15NO4S Unknown 5.4 0.01
11 5.44 508.3661 508.3672 −2.2 [M+H]+ C26H54NO6P LysoPC(P-18:0) 3.9 0.01
12 4.88 454.2926 454.2934 −1.8 [M+H]+ C21H44NO7P LysoPE(16:0) 3.9 0.01
13 5.96 482.3231 482.3247 −3.4 [M+H]+ C23H48NO7P LysoPE(18:0) 3.7 0.01
14 4.63 568.3416 568.3403 2.2 [M+H]+ C30H50NO7P LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 3.6 0.01
15 4.24 518.3245 518.3247 −0.4 [M+H]+ C26H48NO7P LysoPC(18:3(9Z,12Z,15Z)) 3.4 0.02
16 2.55 314.2337 314.2331 1.9 [M+H]+ C17H31NO4 9-decenoylcarnitine 3.0 0.02
17 2.39 312.2161 312.2175 −4.5 [M+H]+ C17H29NO4 2-trans,4-cis-decadienoylcarnitine 2.9 0.02
18 4.61 478.2950 478.2934 3.3 [M+H]+ C23H44NO7P LysoPE(18:2(9Z,12Z)) 2.6 0.02
19 3.60 358.2963 358.2957 1.7 [M+H]+ C20H39NO4 Unknown 2.6 0.02
20 5.71 482.3248 482.3247 0.2 [M+H]+ C23H48NO7P LysoPE(18:0) 2.5 0.02
21 6.42 510.3928 510.3924 0.8 [M+H]+ C26H56NO6P LysoPC(O-18:0) 2.5 0.03
22 2.94 464.2811 464.2801 2.2 [M+H]+ C29H37NO4 Unknown 6.0 0.03
23 2.28 464.2802 464.2801 0.2 [M+H]+ C29H37NO4 Unknown 4.2 0.03
24 4.13 468.3113 468.3090 4.9 [M+H]+ C22H46NO7P LysoPC(14:0) 2.1 0.04
25 2.30 288.2174 288.2175 −0.3 [M+H]+ C15H29NO4 l-octanoylcarnitine 2.1 0.04
26 2.24 245.0493 245.0484 3.7 [M−H] C10H14O5S Unknown 6.5 0.00
27 7.60 327.2339 327.2324 4.6 [M−H] C22H32O2 Docosahexanoic acid 2.8 0.00
28 4.87 452.2791 452.2777 3.1 [M−H] C21H44NO7P LysoPE(16:0) 4.5 0.00
29 7.82 303.2310 303.2324 −4.6 [M−H] C20H32O2 Arachidonic acid 3.8 0.01
30 6.00 568.3594 568.3614 −3.5 [M−HCOO] C26H54NO7P LysoPC(18:0) 2.9 0.01
31 5.44 552.3693 552.3670 4.2 [M−HCOO] C26H54NO6P LysoPC(P-18:0) 2.1 0.01
32 5.93 480.3078 480.3090 −2.5 [M−H] C23H48NO7P LysoPE(18:0) 4.5 0.02
33 4.13 512.2972 512.2993 −3.1 [M−HCOO] C22H46NO7P LysoPC(14:0) 2.2 0.02
34 2.28 674.3250 674.3210 5.9 [M−H] C32H53NO12PS Taurodeoxycholic acid glucuronide 4.7 0.02
35 2.94 498.2899 498.2889 2.0 [M−H] C26H45NO6S Taurodeoxycholic acid 6.5 0.02
36 3.09 498.2917 498.2889 5.6 [M−H] C26H45NO6S Tauroursodeoxycholic acid 3.0 0.02
37 2.55 514.2844 514.2839 1.0 [M−H] C26H45NO7S Taurocholic acid 5.4 0.03
38 1.95 268.0636 268.0644 −3.0 [M−H] C12H15NO4S Unknown 3.3 0.03