Table 2.
The potential urine, serum and tissue metabolites in positive and negative mode
| No | Compound | Ion mode | VIP | P | FC | Model | Rhein |
|---|---|---|---|---|---|---|---|
| Urine | N(omega)-Hydroxyarginine | + | 1.87 | 2.56E−04 | 0.24 | ↓ | ↑ |
| LysoPC(16:1(9Z)/0:0) | + | 1.86 | 3.17E−04 | 3.51 | ↑ | ↑ | |
| 9-chloro-10-hydroxy-hexadecanoic acid | + | 1.82 | 1.23E−04 | 2.22 | ↑ | ↑ | |
| Deoxyinosine | + | 1.82 | 3.65E−04 | 2.1 | ↑ | ↓ | |
| Tetrahydrocortisol | + | 1.8 | 7.18E−03 | 5.7 | ↑ | ↓ | |
| Hexadecanedioic acid | + | 1.77 | 8.47E−04 | 0.35 | ↓ | ↑ | |
| Tryptophanamide | + | 1.74 | 1.02E−03 | 0.45 | ↓ | ↑ | |
| 5-HPETE | + | 1.73 | 7.83E−04 | 0.28 | ↓ | ↑ | |
| Leukotriene F4 | + | 1.66 | 2.27E−03 | 0.23 | ↓ | ↓ | |
| l-Glutamic acid 5-phosphate | + | 1.65 | 4.58E−03 | 3.64 | ↑ | ↓ | |
| Equol | + | 1.65 | 3.19E−03 | 0.49 | ↓ | ↑ | |
| Diethylamine | + | 1.63 | 4.99E−03 | 0.24 | ↓ | ↑ | |
| PC(15:0/16:1(9Z)) | + | 1.62 | 6.34E−03 | 10.41 | ↑ | ↓ | |
| Gambogic acid | + | 1.62 | 4.42E−03 | 0.04 | ↓ | ↑ | |
| Benzoic acid | + | 1.61 | 1.61E−03 | 2.7 | ↑ | ↓ | |
| Testosterone glucuronide | + | 1.6 | 4.12E−02 | 2.16 | ↑ | ↓ | |
| 16-Oxoestrone | + | 1.6 | 4.21E−03 | 0.25 | ↓ | ↑ | |
| Clorazepate | + | 1.6 | 3.82E−03 | 0.26 | ↓ | ↑ | |
| Corticosterone | + | 1.55 | 6.22E−03 | 2.16 | ↑ | ↓ | |
| (9S,10S)-9,10-dihydroxyoctadecanoate | + | 1.79 | 6.79E−03 | 0.29 | ↓ | ↓ | |
| Forskolin | − | 4.38 | 2.32E−02 | 380.46 | ↑ | ↓ | |
| Sulfoxone | − | 4.22 | 1.88E−02 | 0.02 | ↓ | ↑ | |
| Hesperetin 7-glucoside | − | 2.87 | 1.87E−02 | 16.94 | ↑ | ↓ | |
| Celerin | − | 2.02 | 3.50E−02 | 0.002 | ↓ | ↑ | |
| 20-COOH-leukotriene E4 | − | 1.69 | 3.70E−02 | 605.6 | ↑ | ↓ | |
| Cymorcin monoglucoside | − | 1.58 | 1.83E−02 | 97.87 | ↑ | ↓ | |
| Glycerol tripropanoate | − | 1.52 | 2.88E−02 | 0.03 | ↓ | ↑ | |
| 2-Methoxycarbonylphenyl beta-d-glucopyranoside | − | 3.31 | 3.84E−02 | 27.99 | ↑ | ↓ | |
| Methyl 18,18-dibromo-17-octadecen-5,7-diynoate | − | 2.33 | 4.40E−02 | 72.2 | ↑ | ↓ | |
| Serum | Beta-d-3-Ribofuranosyluric acid | + | 3.37 | 2.20E−02 | 0.05 | ↓ | ↑ |
| SM(d18:0/16:1(9Z)) | + | 3.1 | 3.34E−04 | 12.18 | ↑ | ↑ | |
| PI(16:0/20:4(5Z,8Z,11Z,14Z)) | + | 2.99 | 1.86E−02 | 57.26 | ↑ | ↓ | |
| Ceramide (d18:1/24:0) | + | 2.88 | 3.02E−02 | 9.5 | ↑ | ↓ | |
| PC(16:0/22:4(7Z,10Z,13Z,16Z)) | + | 2.33 | 1.34E−03 | 12.85 | ↑ | ↓ | |
| Glycocholic acid | + | 2.24 | 1.30E−02 | 0.05 | ↓ | ↓ | |
| PC(16:0/16:0) | + | 2.08 | 7.12E−05 | 6.22 | ↑ | ↓ | |
| LysoPC(18:0) | + | 1.92 | 8.61E−03 | 20.64 | ↑ | ↓ | |
| (S)-Hydroxyoctanoyl-CoA | + | 1.91 | 1.33E−02 | 5.62 | ↑ | ↓ | |
| Norepinephrine | + | 1.84 | 2.98E−02 | 3.65 | ↑ | ↑ | |
| Oxidized glutathione | + | 1.8 | 2.46E−02 | 0.06 | ↓ | ↑ | |
| Palmitoyl glucuronide | + | 1.74 | 1.10E−02 | 4.58 | ↑ | ↓ | |
| Palmitaldehyde | + | 1.72 | 1.11E−02 | 0.12 | ↓ | ↓ | |
| PE(20:5(5Z,8Z,11Z,14Z,17Z) | + | 1.61 | 2.91E−02 | 0.12 | ↓ | ↑ | |
| /22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | |||||||
| PE(14:0/22:4(7Z,10Z,13Z,16Z)) | − | 3.2 | 5.17E−03 | 37.45 | ↑ | ↓ | |
| DG(16:1(9Z)/20:1(11Z)/0:0) | − | 2.85 | 5.60E−03 | 0.06 | ↓ | ↑ | |
| SM(d18:0/24:0) | − | 2.7 | 3.60E−02 | 0.04 | ↓ | ↓ | |
| 14-Hydroxy-E4-neuroprostane | − | 2.69 | 4.60E−03 | 15.27 | ↑ | ↓ | |
| Dihydrothymine | − | 2.68 | 1.17E−03 | 28.65 | ↑ | ↓ | |
| Serum | Phenoxybenzamine | − | 2.39 | 4.49E−03 | 0.05 | ↓ | ↓ |
| LysoSM(d18:1) | − | 2.24 | 9.75E−03 | 6.48 | ↑ | ↓ | |
| 4-Acetamidobutanoic acid | − | 1.72 | 3.42E−03 | 0.04 | ↓ | ↑ | |
| N-Acetylornithine | − | 1.66 | 1.42E−05 | 0.1 | ↓ | ↓ | |
| Cer(d18:1/24:1(15Z)) | − | 1.64 | 1.70E−03 | 0.12 | ↓ | ↓ | |
| PC(15:0/P-16:0) | − | 1.63 | 2.35E−02 | 21.11 | ↑ | ↓ | |
| PC(15:0/18:1(11Z)) | − | 1.62 | 4.37E−02 | 3.09 | ↑ | ↓ | |
| 2-Isopropylphenyl methylcarbamate | − | 1.6 | 1.34E−03 | 0.07 | ↓ | ↓ | |
| Dolichyl b-d-glucosylphosphate | − | 1.6 | 5.13E−05 | 0.08 | ↓ | ↑ | |
| Prostaglandin H2 | − | 1.57 | 4.66E−04 | 11.07 | ↑ | ↓ | |
| 10,11-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid | − | 11.24 | 4.54E−02 | 0.02 | ↓ | ↑ | |
| 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone | − | 2.26 | 1.19E−02 | 3.78 | ↑ | ↓ | |
| 3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid | − | 1.64 | 2.37E−06 | 0.08 | ↓ | ↑ | |
| Tissue | l-Phosphoarginine | + | 2.76 | 6.70E−05 | 0.01 | ↓ | ↑ |
| 1-Phosphatidyl-d-myo-inositol | + | 2.44 | 6.31E−03 | 0.04 | ↓ | ↑ | |
| 15-Deoxy-d-12,14-PGJ2 | + | 2.08 | 5.47E−03 | 0.06 | ↓ | ↑ | |
| Hexadecanedioic acid | + | 2.06 | 3.38E−03 | 0.09 | ↓ | ↑ | |
| PI(14:1(9Z)/0:0) | + | 2.02 | 1.99E−03 | 0.05 | ↓ | ↑ | |
| Chlordecone | + | 1.99 | 5.34E−03 | 0.05 | ↓ | ↑ | |
| Prostaglandin B2 | + | 1.67 | 2.14E−02 | 0.03 | ↓ | ↑ | |
| PE(P-19:1(12Z)/0:0) | + | 1.63 | 8.75E−04 | 0.13 | ↓ | ↑ | |
| GDP-glucose | + | 1.63 | 1.30E−03 | 0.02 | ↓ | ↑ | |
| 6-Keto-prostaglandin F1a | + | 1.62 | 3.48E−02 | 0.05 | ↓ | ↑ | |
| TG(15:0/16:0/22:4(7Z,10Z,13Z,16Z)) | + | 1.56 | 1.85E−04 | 7.7 | ↑ | ↓ | |
| Alpha-Linolenoyl ethanolamide | + | 1.56 | 1.25E−06 | 0.04 | ↓ | ↑ | |
| PC(10:0/10:0) | + | 1.52 | 6.89E−08 | 99.1 | ↑ | ↓ | |
| Glycocholic acid | − | 1.99 | 2.02E−02 | 7.55 | ↓ | ↑ | |
| Alanyltryptophan | − | 1.94 | 1.80E−04 | 0.11 | ↑ | ↓ | |
| Propionylcarnitine | − | 1.9 | 1.21E−03 | 12.4 | ↓ | ↑ | |
| Sphingosine 1-phosphate | − | 1.84 | 3.84E−05 | 0.03 | ↑ | ↓ | |
| PI(18:1(9Z)/0:0) | − | 1.81 | 2.62E−09 | 0 | ↑ | ↓ | |
| LysoPC(18:0) | − | 1.75 | 1.55E−06 | 0.06 | ↑ | ↓ | |
| Gamma-glutamylglutamic acid | − | 1.73 | 6.41E−04 | 6.41 | ↓ | ↑ | |
| TG(21:0/22:0/22:1(13Z)) | − | 1.73 | 1.58E−07 | 0.08 | ↑ | ↓ | |
| PS(18:3(6Z,9Z,12Z)/0:0) | − | 1.66 | 1.29E−06 | 0.14 | ↑ | ↓ | |
| Angiotensin IV | − | 1.62 | 1.63E−04 | 0.05 | ↑ | ↓ | |
| 4-Aminohippuric acid | − | 1.57 | 2.39E−07 | 0.11 | ↑ | ↓ | |
| LysoPE(0:0/15:0) | − | 1.54 | 1.61E−07 | 0.06 | ↑ | ↓ | |
| DG(18:1(11Z)/22:2(13Z,16Z)/0:0) | − | 1.52 | 1.70E−03 | 7.68 | ↓ | ↑ | |
| Estrone sulfate | − | 1.52 | 2.40E−02 | 0.03 | ↑ | ↓ | |
| Phenoxybenzamine | − | 1.51 | 3.11E−07 | 0.09 | ↓ | ↓ | |
| PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | − | 1.78 | 5.35E−10 | 0.02 | ↑ | ↓ | |
| 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1ʹ,2ʹ,3ʹ-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin (A) | − | 2.08 | 3.74E−05 | 13.67 | ↓ | ↑ |