Table 2.
No. | Name | Retention time | M.F | Error (ppm) | Ion mode | VIP | P-value | AUC |
---|---|---|---|---|---|---|---|---|
1 | 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one | 11.25 | C19H32O4 | 0.3 | [M+H]+ | 3.62 | 5.86E-13 | 0.993 |
2 | 9-Decenoylcarnitine | 6.33 | C17H31NO4 | 2.5 | [M+H]+ | 1.99 | 1.27E-02 | 0.805 |
3 | Acetylcarnitine# | 0.9 | C9H17NO4 | 0.9 | [M+H]+ | 1.87 | 5.63E-04 | 0.775 |
4 | Cortisol | 5.92 | C21H30O5 | 1.5 | [M+H]+ | 1.11 | 3.41E-02 | 0.692 |
5 | Etiocholanolone# | 16.9 | C19H30O2 | 1 | [M+NH4]+ | 2.05 | 5.55E-08 | 0.983 |
6 | Linoelaidyl carnitine | 10.44 | C25H45NO4 | 2.1 | [M+H]+ | 2.27 | 9.78E-04 | 0.795 |
7 | L-Phenylalanine | 1.9 | C9H11NO2 | −0.2 | [M+H]+ | 1.01 | 8.81E-03 | 0.771 |
8 | L-Valine | 0.78 | C5H11NO2 | 0.2 | [M+H]+ | 1.48 | 1.96E-06 | 0.910 |
9 | LysoPC(18:3) | 11.34 | C26H48NO7P | −0.9 | [M+H]+ | 1.16 | 3.73E-03 | 0.801 |
10 | LysoPC(P-18:0) | 12.83 | C26H54NO6P | −0.3 | [M+H]+ | 1.25 | 4.04E-02 | 0.701 |
11 | PC(O-18:1/2:0) | 15.99 | C28H56NO7P | −0.5 | [M+H]+ | 1.61 | 6.38E-03 | 0.780 |
12 | Phytosphingosine | 7.46 | C18H39NO3 | 3.5 | [M+H]+ | 3.36 | 6.16E-05 | 0.894 |
13 | Vaccenyl carnitine | 11.83 | C25H47NO4 | 0.8 | [M+H]+ | 2.44 | 6.37E-04 | 0.822 |
14 | 12,13-Dihydroxy-9-octadecenoic acid | 19.24 | C18H34O4 | 1.2 | [M-H]– | 1.46 | 1.61E-02 | 0.675 |
15 | 9-Hydroxy-10,12-octadecadienoic acid | 12 | C18H32O3 | 2.6 | [M-H]– | 1.58 | 7.37E-03 | 0.735 |
16 | 3-Oxoandrostan-17-yl hydrogen sulfate | 7.12 | C19H30O5S | 1.9 | [M-H]– | 2.28 | 3.98E-04 | 0.787 |
17 | gamma-Linolenic acid | 18.79 | C18H30O2 | −1.3 | [M-H]– | 1.66 | 2.01E-02 | 0.777 |
18 | Linoleic acid | 20.17 | C18H32O2 | 0.1 | [M-H]– | 1.27 | 3.71E-02 | 0.677 |
19 | LysoPE(18:1/0:0) | 11.93 | C23H46NO7P | 0 | [M-H]– | 2.08 | 6.06E-04 | 0.814 |
20 | LysoPE(18:2/0:0) | 10.39 | C23H44NO7P | 3.4 | [M-H]– | 1.12 | 1.25E-02 | 0.713 |
21 | Palmitoleic acid | 19.51 | C16H30O2 | 1.2 | [M-H]– | 1.60 | 3.66E-02 | 0.724 |
22 | PI(20:4/0:0)# | 11.31 | C29H49O12P | −0.7 | [M-H]– | 3.68 | 3.32E-07 | 0.782 |
p-value is t-test comparing normal women and cervicitis patients; confidence intervals of AUC is 95%;
means the biomarker was identified in both rat model and human disease.