Table 1.
No. | Name | Retention time | M.F | Error (ppm) | Ion mode | VIP | P-value | AUC |
---|---|---|---|---|---|---|---|---|
1 | 3-Methyl-5-propyl-2-furanundecanoic acid | 18.63 | C19H32O3 | −1.1 | [M+H]+ | 1.02 | 1.19E-06 | 0.904 |
2 | Acetylcarnitine# | 1.11 | C9H17NO4 | −2.6 | [M+H]+ | 1.15 | 1.49E-03 | 0.786 |
3 | Etiocholanolone# | 16.71 | C19H30O2 | −0.5 | [M+NH4]+ | 2.87 | 3.29E-10 | 0.991 |
4 | LysoPC(18:2) | 10.48 | C26H50NO7P | −3.1 | [M+H]+ | 10.22 | 4.41E-04 | 0.801 |
5 | LysoPC(18:3)# | 11.25 | C26H48NO7P | −4.2 | [M+H]+ | 2.48 | 1.71E-09 | 0.971 |
6 | LysoPC(20:4) | 10.55 | C28H50NO7P | −4.7 | [M+H]+ | 10.75 | 8.20E-05 | 0.813 |
7 | LysoPC(20:5) | 10.47 | C28H48NO7P | −3.6 | [M+H]+ | 2.14 | 8.73E-11 | 0.976 |
8 | LysoPC(22:6) | 10.51 | C30H50NO7P | −4.4 | [M+H]+ | 4.22 | 7.30E-03 | 0.742 |
9 | PC(O-18:1/2:0) | 15.77 | C28H56NO7P | −3.5 | [M+H]+ | 1.32 | 8.81E-04 | 0.809 |
10 | SM(d18:0/16:1) | 20.19 | C39H79N2O6P | −1.2 | [M+H]+ | 7.74 | 2.92E-03 | 0.803 |
11 | Stearoylcarnitine | 15.11 | C25H49NO4 | −1.9 | [M+H]+ | 1.21 | 7.00E-10 | 0.976 |
12 | Tetracosahexaenoic acid | 9.96 | C24H36O2 | −2.6 | [M+H]+ | 1.95 | 1.35E-02 | 0.684 |
13 | Tryptophan | 2.7 | C11H12N2O2 | −1.7 | [M+H]+ | 1.25 | 4.48E-02 | 0.692 |
14 | Pregnenolone | 9.44 | C21H32O2 | −2.8 | [M+H]+ | 2.34 | 9.94E-03 | 0.691 |
15 | Tetradecanoylcarnitine | 9.7 | C21H41NO4 | −3.1 | [M+H]+ | 1.08 | 3.40E-02 | 0.655 |
16 | 20-Hydroxyeicosatetraenoic acid | 13.18 | C20H32O3 | −0.4 | [M-H]- | 1.45 | 4.55E-02 | 0.629 |
17 | 3b,7a-Dihydroxy-5b-cholanoic acid | 9.93 | C24H40O4 | −0.9 | [M-H]– | 2.01 | 1.85E-02 | 0.675 |
18 | 9,10-Epoxyoctadecenoic acid | 11.95 | C18H32O3 | −3.4 | [M-H]– | 3.86 | 3.55E-04 | 0.997 |
19 | Arachidonic acid | 8.38 | C20H32O2 | −1.4 | [M-H]– | 1.35 | 4.47E-02 | 0.622 |
20 | Eicosapentaenoic acid | 18.62 | C20H30O2 | −2.1 | [M-H]– | 1.70 | 2.55E-02 | 0.705 |
21 | Glycocholic acid | 6.74 | C26H43NO6 | −1.8 | [M-H]– | 1.26 | 1.24E-02 | 0.734 |
22 | LysoPE(0:0/20:0) | 14.72 | C25H52NO7P | −1.6 | [M-H]– | 1.55 | 1.47E-02 | 0.718 |
23 | PI(20:4/0:0) | 11.12 | C29H49O12P | −1 | [M-H]– | 7.49 | 3.93E-09 | 0.958 |
24 | S-(PGA2)-glutathione | 14.63 | C30H47N3O10S | 0.3 | [M-H]– | 1.15 | 2.10E-04 | 0.803 |
25 | Taurocholic acid | 6.1 | C26H45NO7S | −1.8 | [M-H]– | 2.68 | 2.20E-03 | 0.845 |
26 | Thymidine | 1.83 | C10H14N2O5 | −0.3 | [M-H]– | 1.40 | 1.96E-05 | 0.904 |
27 | 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid | 5.81 | C12H16O5 | −3.6 | [M-H]– | 2.24 | 3.55E-03 | 0.553 |
p-value is t-test comparing normal rat and cervicitis rat; confidence intervals of AUC is 95%;
means the biomarker was identified in both rat model and human disease.