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Table 1 Included metabolites

From: Prediction of breast cancer by profiling of urinary RNA metabolites using Support Vector Machine-based feature selection

No. [MH+] RT Metabolite R2 RSD [%] Symbol Metabolic pathway#
1 302 3.0 1-ribosyl-3-methyl-5-(2-aminocarboxyethyl)-imidazolium 0.9875 7.4 M-1 (H)
2 247 4.3 Dihydrouridine 0.9855 6.0 DHU R
3 245 4.5 Pseudouridine 0.9889 3.3 Ψ R
4 212 5.0 1-ribosyl-pyridinium 0.9771 5.7 M-2 (N)
5 244 6.5 Cytidine 0.9815 12.0 C R
6 346 7.0 3-(3-aminocarboxypropyl)-uridine 0.9957 3.5 acp 3 U R
7 302 7.0 5-carbamoylmethyluridine 0.9977 4.0 ncm 5 U R
8 228 7.5 1-ribosyl-3-hydroxy-pyridinium 0.9932 2.1 M-3 (N)
9 245 8.5 Uridine 0.9981 8.4 U R
10 258 9.5 3-methylcytidine 0.9787 2.7 m 3 C R
11 259 10.5 1-ribosyl-4-carbamoyl-5-amino-imidazole 0.9942 6.0 AICA riboside N
12 282 12.0 1-methyladenosine 0.9949 3.1 m 1 A R
13 271 14.0 1-ribosyl-5-carbamoyl-2-oxo-pyridine 0.9903 3.7 2,5-PCNR N
14 298 17.5 7-methylguanosine 0.9727 10.2 m 7 G R
15 269 18.0 Inosine 0.9911 3.0 I R
16 271 20.5 1-ribosyl-3-carbamoyl-4-oxo-pyridine 0.9955 2.1 3,4-PCNR N
17 296 21.5 1, N6-dimethyladenosine 0.9959 2.9 m 6 1 A R
18 259 23.5 3-methyluridine 0.9972 3.0 m 3 U R
19 384 24.5 N6-succinyloadenosine 0.9568 11.3 N 6 -SAR P
20 285 25.0 Xanthosine 0.9974 4.0 X R
21 385 27.5 S-adenosylhomocysteine 0.9926 4.4 SAH MP
22 283 29.0 1-methylinosine 0.9969 3.8 m 1 I R
23 298 31.0 1-methylguanosine 0.9920 4.5 m 1 G R
24 293 32.0 ? 0.9918 14.9 293 ?
25 286 32.5 N4-acetylcytidine 0.9934 7.6 ac 4 C R
26 298 33.5 2-methylguanosine 0.9979 8.2 m 2 G R
27 376 34.5 9-ribosyl-6-taurinopurine 0.9974 6.2 M-4 (R)
28 398 40.0 2-methylthio-N6-(cis-hydroxyisopentenyl)-adenosine 0.9983 4.5 ms 2 io 6 A R
29 326 41.0 N2, N2,7-trimethylguanosine 0.9911 2.7 m 2,2,7 G R
30 312 41.5 N2, N2-dimethylguanosine 0.9925 4.7 m 2 2 G R
31 333 42.5 5-methoxycarbonylmethyl-2-thiouridine 0.9981 4.6 mcm 5 s 2 U R
32 413 46.5 N6-threonylcarbamoyladenosine 0.9963 3.5 t 6 A R
33 298 48.0 5'-deoxy-5'-methyl-thioadenosine 0.9987 13.3 MTA MP
34 427 49.5 N6-methyl-N6-threonylcarbamoyladenosine 0.9920 5.5 m 6 t 6 A R
35 459 50.0 2-methylthio-N6-threonylcarbamoyladenosine 0.9887 3.9 ms 2 t 6 A R
  1. Set of included ribosylated metabolites for bioinformatic data evaluation.
  2. # R: RNA metabolism, H: histidine metabolism, N: nicotinate/nicotinamide metabolism,
  3. MP: methionine/polyamin cycle, P: purine biosynthesis, ?: unknown. Abbreviations in parenthesis: pathway proposal, RT: retention time. (Structures M-1 to M-4 see Figure 1.)