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 |