Metabolite name | Formula | Average Rt(min) | Average Mz | Adduct type | HMDB ID | Reference value | ppm | MS2 | Sample | VIP value | P value |
---|---|---|---|---|---|---|---|---|---|---|---|
Deoxyuridine | C9H12N2O5 | 1.864 | 227.0676 | [M-H]− | 0000012 | 227.0674 | 1.0 | 111.0202,41.998 | Plasma | 1.27 | 0.0402 |
Deoxycytidine | C9H13N3O4 | 3.302 | 226.0854 | [M-H]− | 0000014 | 226.0833 | 4.6 | 135.0572,93.0476,66.0336,41.9999 | Plasma | 1.07 | 0.0038 |
Adenosine monophosphate | C10H14N5O7P | 6.817 | 348.0689 | [M + H]+ | 0000045 | 348.0704 | − 4.3 | 136.0601,97.0269 | Plasma | 1.68 | 0.0409 |
Adenosine | C10H13N5O4 | 2.711 | 268.0995 | [M + H]+ | 0000050 | 268.104 | 1.6 | 136.0609,119.0304,94.039 | Plasma | 1.90 | 0.0107 |
Cytidine | C9H13N3O5 | 3.858 | 242.0749 | [M-H]− | 0000089 | 242.0782 | − 1.4 | 109.038,91.0302,81.0436,67.027, 41.9966 | Plasma | 1.04 | 0.0153 |
L-Tyrosine | C9H11NO3 | 4.679 | 180.0656 | [M-H]− | 0000158 | 180.0666 | − 5.5 | 180.0605,163.0388,133.0532,119.0486, 107.0493,93.0347,72.0086 | Plasma | 1.15 | 0.0012 |
L-Serine | C3H7NO3 | 5.926 | 104.0353 | [M-H]− | 0000187 | 104.0353 | 0.1 | 104.0372,74.0231,72.0069 | Plasma | 1.19 | 0.0193 |
alpha-Ketoglutaric acid | C5H6O5 | 6.925 | 145.0117 | [M-H]− | 0000208 | 145.0143 | − 5.9 | 73.0277,56.9944 | Plasma | 1.31 | 0.0080 |
Ornithine | C5H12N2O2 | 8.17 | 131.0839 | [M-H]− | 0000214 | 131.0826 | 5.6 | 131.0796,83.0612,68.9961,54.6111 | Plasma | 2.18 | 0.0198 |
Orotic acid | C5H4N2O4 | 3.713 | 155.0088 | [M-H]− | 0000226 | 155.0098 | − 6.7 | 111.0194,67.0296,41.999 | Plasma | 1.38 | 0.0073 |
Riboflavin | C17H20N4O6 | 3.347 | 377.1419 | [M + H]+ | 0000244 | 377.1456 | − 4.3 | 377.1406,243.0913,198.0713 | Plasma | 1.10 | 0.0196 |
Uric acid | C5H4N4O3 | 5.102 | 167.0227 | [M-H]− | 0000289 | 167.0211 | 6.0 | 167.0217,124.0156,96.0203,69.0089, 41.9989 | Plasma | 1.11 | 0.0014 |
Urea | CH4N2O | 1.718 | 61.03897 | [M + H]+ | 0000294 | 61.03964 | 5.4 | 61.0379,44.016 | Plasma | 1.23 | 0.0086 |
Xanthosine | C10H12N4O6 | 4.881 | 283.0655 | [M-H]− | 0000299 | 283.0684 | 0.2 | 283.258,151.0266,108.0199 | Plasma | 2.13 | 0.0425 |
Uracil | C4H4N2O2 | 4.879 | 111.0195 | [M-H]− | 0000300 | 111.02 | − 4.6 | 68.0191,67.0167,41.9985 | Plasma | 1.36 | 0.0002 |
N-Acetyl-L-phenylalanine | C11H13NO3 | 2.95 | 206.0792 | [M-H]− | 0000512 | 206.0823 | − 5.2 | 164.0695,147.0399,103.0551,91.0539, 72.0083,58.0275 | Plasma | 2.41 | 0.0332 |
L-Arginine | C6H14N4O2 | 8.356 | 173.1041 | [M-H]− | 0000517 | 173.1044 | − 1.8 | 131.0795,114.054 | Plasma | 1.08 | 0.0033 |
L-Glutamine | C5H10N2O3 | 5.869 | 145.0613 | [M-H]− | 0000641 | 145.0619 | − 3.9 | 109.0394,101.0706,84.0415,74.0238, 58.0279,41.9976 | Plasma | 1.12 | 0.0027 |
Indoxyl sulfate | C8H7NO4S | 0.427 | 212.0208 | [M-H]− | 0000682 | 212.0023 | 6.9 | 211.9986,132.0423,80.9623,79.9613 | Plasma | 1.64 | 0.0040 |
Kynurenic acid | C10H7NO3 | 3.135 | 190.0493 | [M + H]+ | 0000715 | 190.0499 | − 3.1 | 162.046,144.0444,116.051,89.0388 | Plasma | 1.55 | 0.0165 |
Indoleacetaldehyde | C10H9NO | 0.534 | 158.0612 | [M-H]− | 0001190 | 158.0611 | 0.1 | 156.0444,130.0671,129.0593,128.0506 | Plasma | 1.03 | 0.0013 |
Guanosine monophosphate | C10H14N5O8P | 7.338 | 364.062 | [M + H]+ | 0001397 | 364.0653 | − 4.9 | 364.141,152.0562 | Plasma | 1.52 | 0.0000 |
Phosphocreatine | C4H10N3O5P | 6.885 | 210.026 | [M-H]− | 0001511 | 210.0285 | 2.4 | 969.9699,78.958,55.2934 | Plasma | 1.08 | 0.0005 |
Indoxyl glucuronide | C14H15NO7 | 4.047 | 308.0793 | [M-H]− | 0010319 | 308.0776 | 5.6 | 132.0394,75.0004,59.0116 | Plasma | 1.32 | 0.0003 |
N-Acetylhistidine | C8H11N3O3 | 4.908 | 198.085 | [M + H]+ | 0032055 | 198.0873 | 3.4 | 156.0748,110.071,95.059,93.042, 83.0596 | Plasma | 1.48 | 0.0003 |
Deoxycytidine | C9H13N3O4 | 3.289 | 226.0828 | [M-H]− | 0000014 | 226.0833 | − 2.4 | 135.0525,93.0422,66.0312,41.997 | Kidney | 1.53 | 0.0009 |
Carnosine | C9H14N4O3 | 5.626 | 225.1003 | [M-H]− | 0000033 | 225.0993 | 4.3 | 154.0605,137.0329,127.048,110.0698, 93.0439,87.054,81.043 | Kidney | 1.76 | 0.0112 |
beta-Alanine | C3H7NO2 | 1.441 | 90.05433 | [M + H]+ | 0000056 | 90.05496 | − 7.0 | 88.0353,59.0111,41.0011 | Kidney | 1.74 | 0.0020 |
SN-glycero-3-phosphocholine | C8H20NO6P | 6.156 | 258.1086 | [M + H]+ | 0000086 | 258.1101 | − 5.8 | 184.0739,166.061,124.9986,104.1068, 86.0966,60.0796 | Kidney | 2.26 | 0.0219 |
Hypoxanthine | C5H4N4O | 3.468 | 137.0454 | [M + H]+ | 0000157 | 137.0458 | − 3.1 | 137.0429,1139.0344,110.0335,94.0377,82.0391,67.0286,55.0296 | Kidney | 1.86 | 0.0000 |
Inosinic acid | C10H13N4O8P | 7.103 | 347.0391 | [M-H]− | 0000175 | 347.0398 | − 2.2 | 347.0296,211.0993,135.0252,96.9625, 78.9559 | Kidney | 1.28 | 0.0474 |
Inosine | C10H12N4O5 | 3.472 | 267.0738 | [M-H]− | 0000195 | 267.0735 | 1.0 | 135.0271,108.0153,92.0203 | Kidney | 1.93 | 0.0000 |
Orotic acid | C5H4N2O4 | 3.645 | 155.0094 | [M-H]− | 0000226 | 155.0098 | − 2.9 | 111.0177,67.0288,59.0111,41.9969 | Kidney | 3.03 | 0.0018 |
Succinic acid | C4H6O4 | 5.005 | 117.0198 | [M-H]− | 0000254 | 117.0193 | 4.1 | 99.9228,83.9312 | Kidney | 1.14 | 0.0278 |
Uridine | C9H12N2O6 | 2.6 | 243.0637 | [M-H]− | 0000296 | 243.0623 | 6.0 | 152.0356,140.0357,122.0251,110.0243,82.0291,66.0337,41.9989 | Kidney | 1.68 | 0.0001 |
Adenosine 5ʹ-triphosphate | C10H16N5O13P3 | 7.632 | 505.9875 | [M-H]− | 0000538 | 505.9885 | − 1.9 | 505.9939,487.9698,426.0208,408.0068,176.9354,158.9206,78.951 | Kidney | 1.62 | 0.0001 |
Cytosine | C4H5N3O | 3.294 | 112.0497 | [M + H]+ | 0000630 | 112.0505 | − 7.9 | 112.0502,95.0227,94.0403,69.043, 68.1057,67.0284,52.0193,42.0341 | Kidney | 1.58 | 0.0001 |
L-Glutamine | C5H10N2O3 | 5.876 | 145.0629 | [M-H]− | 0000641 | 145.0619 | 7.3 | 127.0467,109.0358,84.0407,74.0205, 58.0259,41.9958 | Kidney | 1.01 | 0.0330 |
Citrulline | C6H13N3O3 | 6.188 | 176.1024 | [M + H]+ | 0000904 | 176.103 | − 3.5 | 159.0714,113.0708,70.0646,43.054 | Kidney | 1.36 | 0.0139 |
Betaine-Aldehyde | [C5H12NO]+ | 6.483 | 102.0906 | [M]+ | 0001252 | 102.0913 | − 7.5 | 102.0922,59.0741,58.0653 | Kidney | 2.20 | 0.0050 |
Ribose 5-phosphate | C5H11O8P | 6.994 | 229.0129 | [M-H]− | 0001548 | 229.0119 | 4.3 | 96.9659,78.9566 | Kidney | 1.86 | 0.0001 |
CDP-ethanolamine | C11H20N4O11P2 | 7.024 | 445.052 | [M-H]− | 0001564 | 445.0531 | − 2.5 | 445.0419,383.9898,322.0378,272.9579, 201.9624,96.9638,78.9547 | Kidney | 1.82 | 0.0139 |
Phosphorylcholine | C5H14NO4P | 6.155 | 184.0728 | [M + H]+ | 0001565 | 184.0733 | − 2.6 | 184.0766,124.9976,98.9849,86.0973, 71.0766,60.0826,45.0332 | Kidney | 2.14 | 0.0296 |