metabolite_name A1 A3 A6 A10 A11 T2 T4 T5 T10 T11 C1 C2 C3 C4 C5 Beta-alanine 15792 19551 17318 16539 19389 20332 18175 13497 14877 17254 18553 18654 13211 17373 17570 beta-L-(-)-Fucopyranose 2504 2656 2666 2053 3660 3219 3181 2768 2933 4420 3083 3419 1648 2348 4163 phosphoric acid 8101872 8111725 7511640 7508799 9396395 10148489 7817972 6579897 7428831 8755614 9442123 8050838 5518614 7442830 9123015 O-phosphocolamine 13244 18325 18588 13389 21992 18950 21420 14246 12750 15470 16885 12059 9668 11069 13759 glucoheptonic acid 2383 1865 1063 2282 1714 2698 3022 2748 2225 3102 2451 1370 892 1526 3190 pyrophosphate 37318 48516 40262 42041 37979 39180 41979 38321 40882 47616 49940 49755 43635 42284 44885 putrescine 1212 1376 1093 676 1655 1840 1044 1580 1297 1123 1063 653 261 790 641 heptadecanoic acid 4117 3565 4275 3353 5230 4783 3421 3654 3969 4143 3707 3317 2831 3724 4770 arachidic acid 4977 3431 4530 4938 5424 6006 4302 3677 4714 5594 3089 3323 3015 3591 4533 pyruvic acid 1620 2600 2253 2250 2132 6853 2621 2107 1822 1768 1970 2642 1550 3177 2340 L-lactic acid 328621 299860 310229 236131 213153 264488 140918 139781 115676 152843 306245 294759 203703 224309 303377 hypotaurine 2700 3821 3108 2513 3204 3698 3698 3094 2789 2239 2898 3086 1621 1984 3045 sarcosine 258329 284483 331435 339178 173206 200384 208106 214556 298712 197162 178426 266170 275595 370282 274556 myristic acid 4624 4371 4584 4030 3800 5139 4565 3388 3998 5199 3937 2734 3374 3144 3238 L- sorbose 2 14300 19010 15802 10797 16181 19738 17877 18539 22098 20333 15269 12181 10015 11732 19597 succinic acid 5022 9618 7500 8517 6528 10676 9221 9448 8027 6606 7464 8008 6550 6057 8361 ribonic acid-gamma-lactone 1 2707 2700 2481 3668 3213 3503 2397 1887 2255 3150 2482 2305 1901 3907 2200 uracil 46856 50769 44225 44807 55983 55203 47798 42899 40822 49417 52453 45893 35722 37691 53002 uric acid 270935 257881 244742 273275 308953 329465 257543 225445 253580 276811 298087 263040 186101 228717 290675 urea 61406 53197 58803 67469 75697 63436 54703 54276 45984 56882 54943 55162 33866 36739 44749 xanthine 68698 64080 64775 48858 86635 57295 60318 46814 61697 61623 77727 51633 35530 47303 73602 L-proline 159159 174706 169968 152178 187916 212138 157688 139312 148209 174582 102451 103796 68716 69821 104899 3-hydroxy-3-methylglutaric acid (dicrotalic acid) 921 1129 1413 750 1408 1392 708 963 694 816 944 744 543 850 830 D-threitol 2717 3298 3143 2468 3224 3937 2700 3106 2390 2717 1794 1983 997 1360 1460 D-galactose 179684 251737 158909 177308 270309 352551 469580 353576 444073 399200 109479 107716 82373 86291 160175 L-asparagine 4518 4848 4559 3884 4395 4741 4194 3745 4191 4523 6338 5622 4086 4292 6008 benzoic acid 5244 5978 6679 4605 4901 4480 4962 4479 4030 4390 5522 4384 3480 3695 4401 fructose 20676 26189 21831 18365 25370 27465 28530 25889 28328 28796 23353 18527 14779 18265 29582 2,3-dihydroxypyridine 1415 1291 1754 1338 999 1720 1775 973 1551 1256 1203 1185 1105 1087 1882 cholesterol 4788534 4239004 4644198 4855876 5618771 6215100 4800965 4281722 4639449 5611276 5419422 5537861 3623128 4672047 5320610 citric acid 24170 43553 31311 26958 34569 39397 42018 45012 37358 42087 21723 19113 14858 13764 17009 L-glutamic acid 821593 1057162 879954 893194 1183238 1193734 1048754 996729 1112794 1167970 1385264 1227136 873271 1007810 1416477 caprylic acid 434888 425759 395316 386260 505802 526161 416241 349831 392394 456482 479590 416211 279031 386150 466200 ribulose-5-phosphate 3685 5822 3979 4452 5283 5993 7997 5024 6956 5566 3662 4066 3521 3965 5119 glyceric acid 10814 12565 11270 9150 12791 23485 12613 10207 10197 11941 12247 10015 7022 9958 13315 threose 2 1247 1291 900 862 1424 985 1680 887 1139 1754 1317 1080 448 770 1469 D-glucose-6-phosphate 108539 108630 153125 122080 131207 216939 85987 211422 166284 196450 204689 126128 80921 80256 77663 D (+)altrose 179781 253253 158998 177526 270309 352302 478703 353576 444073 398945 119114 110661 86212 86248 163824 talose_R1 103707 143220 102154 87588 156881 212812 247200 189252 248357 213795 60044 52929 44965 47502 80020 talose_R2 12925 18545 13720 12334 20345 27563 34712 26289 34720 30794 9078 8060 5482 5945 12335 fumaric acid 59398 67037 64227 58176 71953 72208 57979 48113 47726 58565 95299 82537 58280 67388 105658 oleic acid 208296 166535 155285 148442 250528 239979 185798 142916 190151 217516 126831 115210 90706 135898 152940 D-allose 1 38804 46302 35754 36994 55037 39075 58596 41525 59495 55086 40038 26665 24511 26455 43500 1-methyl nicotinamide 16917 14118 17571 13320 16270 16261 13111 12462 12465 12569 20748 19029 12173 14153 20517 3-methyl-2-oxobutanoic acid 26403 29873 26818 28395 30232 25806 27870 29240 28898 29236 28699 29136 30015 27600 31074 4-guanidinobutyric acid 286784 298277 279164 265653 368820 323696 292731 234467 211115 272823 312889 249767 188761 229205 281415 stearic acid 393507 389231 322209 325055 503587 488074 378364 278756 371290 467317 382953 308242 252553 318467 406774 methyl oleate 1737 1005 1070 801 1226 1375 1128 413 1210 1672 1660 1130 538 912 1577 trans-4-hydroxy-L-proline 2 116783 131835 120020 113573 128774 133715 115413 110924 90581 102300 130872 107397 78288 88391 108657 Creatinine 662896 690690 557080 570326 794378 750989 657553 626310 735012 740628 856308 703580 565256 552541 807877 L-alanine 314281 496947 383046 350077 468633 514708 434060 341889 374107 492400 322153 280325 174681 183754 322518 L-serine 302494 311078 307770 280480 351033 376011 306642 280275 284441 319561 285163 263212 175525 201109 277335 aspartic acid 1511833 1753344 1569120 1484797 1863299 1963995 1760457 1556621 1530146 1787837 2153100 1981558 1398800 1579220 2171636 L-lysine 15920 14692 18891 12888 19229 18202 15717 13135 14415 15891 15216 9845 6054 7966 11522 inosine 16526 20652 16936 19257 19172 20810 16195 15160 16111 18465 30084 26521 18502 20362 27714 tyrosine 30557 30190 30980 25736 35087 36717 29678 22130 28135 30814 39876 36755 25105 28537 39339 L-leucine 30355 25360 25964 25581 29184 31465 23590 20924 22576 25315 30754 28013 18936 24391 30185 D-mannitol 6528 5877 7608 5387 6701 8395 7332 5753 6560 5730 5977 5413 3340 3541 4663 L-ornithine 5085 6316 4861 5026 6859 7574 6043 7077 6774 6345 5884 4756 3134 4867 6658 L-histidine 720 818 1253 882 1312 1081 1001 551 860 1536 883 405 167 388 649 L-valine 49534 50463 50143 48362 50421 54976 42722 40126 40408 48669 49591 47230 32969 37124 51579 L-threonine 47428 46748 51705 49674 56570 57772 49390 45876 48796 52381 43349 42301 27966 29770 41530 L-tryptophan 6235 5479 5753 6031 7402 7488 6299 5381 6126 5960 8924 7793 5613 6448 8587 N-acetyl-L-aspartic acid 5902 31936 10026 18242 15889 25696 9946 9708 10194 11877 28638 27199 25388 10059 26383 dihydroxyacetone phosphate 1867 1871 1319 1901 2282 2968 1775 1121 1999 2144 1839 1820 712 1272 1857 O-phospho-L-serine 3488 2654 2790 4122 2892 4012 4708 5073 3794 3066 4386 4041 2936 4244 3206 L-glutamine 12678 12878 13072 8097 16403 10595 10017 7880 8874 11440 12886 7712 6990 6165 12498 L-pyroglutamic acid 879976 999483 942575 870670 1003958 1002759 871155 859433 659847 753931 980090 823798 586293 661901 823650 glycine 288941 396444 407111 391919 427957 395943 322580 248150 370596 328447 410183 272166 166084 320144 355166 glycerol 737374 629061 533483 496482 807767 762682 570372 459252 589610 693622 615524 453960 318046 490904 611723 glycerol 1-phosphate 7542 8983 7158 5977 10603 10979 8373 7305 7830 9701 8151 5428 4676 5536 6824 glycolic acid 25304 22631 14877 14561 23869 30485 27365 16920 19396 21150 20977 13029 10852 18669 17183 hypoxanthine 247339 302052 266375 277249 297261 353776 282896 246789 246578 295876 340599 286215 215615 247248 320561 DL-isoleucine 31653 28315 29737 26745 26879 32760 24160 20821 24839 26579 33340 32903 20285 23471 32726 3-hydroxypyridine 3051 4168 4001 5148 4063 4698 2964 3425 4051 3432 3034 3996 3058 4181 3796 malonic acid 17360 16730 15871 14262 15299 19104 14254 13423 13347 16891 12967 14474 14133 6587 14298 2-hydroxypyridine 25174 29534 39888 47070 30228 42778 25114 26815 26926 26536 30217 34636 24163 32967 29980 allo-inositol 8385 10504 9031 9854 15034 10753 12792 11250 14840 17304 8454 5858 6609 7216 11545 myo-inositol 717135 686935 641841 728301 822391 870789 680505 593405 667291 727504 785085 688760 492522 602842 756540 D-malic acid 26742 26478 26484 25926 32882 33296 27671 22672 22362 27376 41823 35991 26842 31072 45857 nicotinamide 26111 28357 27703 23456 30780 29201 22120 23187 21394 24303 39125 32448 25721 25228 40989 lactamide 2349 1852 2682 1420 1489 1675 1271 1186 1038 1524 2094 2117 1513 1398 2704 acetoacetate 12031 13041 12957 13190 12074 14574 11716 14464 14459 13971 11224 15228 12728 13164 13030 oxalic acid 22249 28430 25720 26970 26124 29952 22429 27313 17806 27725 25019 31042 26351 24678 26914 palmitic acid 292695 280940 242836 242437 360608 383670 289568 219369 253323 323178 251963 215333 167555 222311 259109 11-Octadecenoic acid 102426 81849 63751 73893 132079 119366 84304 69665 73882 98453 68024 58099 40820 59899 63284 1-Monopalmitin 704463 858048 784605 754258 800502 1225253 891868 663665 683381 864009 853109 770089 396575 693589 873365 2-((2-Chloroethyl)ethylamino)ethanol 2139 2006 2195 1867 2657 2931 3120 2013 2492 2414 2532 2429 1977 2705 2623 2,3-Butanediol 1445434 1288442 1335528 1006372 930561 1123052 590058 606190 506363 649081 1309226 1301448 895690 963886 1313704 2-Butanol 259640 237020 246692 183921 166610 209007 112481 108923 96543 119694 238326 237212 162648 176575 240117 2-Butenedioic acid 936 1490 1285 1559 871 1744 1146 1039 1702 1661 1200 1412 1820 684 1352 2-Keto-l-gluconic acid 3594 2855 2673 3323 2847 2179 2675 2266 3087 2730 3521 3959 3048 3683 4543 2-Palmitoylglycerol 10658 11365 9532 10767 11659 15289 13700 9748 9567 12708 12107 9604 5325 10156 11551 2-Pyrrolidinone 28663 31930 33151 29884 32897 30998 27076 24448 24468 30051 29511 25074 21090 21506 29440 3,5-Dihydroxy-2H-1,2,4-oxadiazine 1329 2658 2101 1832 1409 4345 4446 3957 4144 1845 1547 1507 960 1133 1951 3-Aminodihydro-2(3H)-furanone 50196 36497 25330 34596 23684 56863 40891 49849 34439 60472 33415 55687 51297 29292 49386 3-Heptanol 6715 6775 8130 7576 7041 7527 6741 5961 7651 6090 6104 6908 6988 7521 6349 4-Aminobutanoic acid 194047 215919 191350 195261 186750 191957 170590 160000 144040 207355 181985 172899 149448 87463 189448 Acetamide 15649 16296 16741 13961 19638 20183 17419 14050 14592 18261 15620 13637 8245 9053 14171 Allyl(methoxy)dimethylsilane 39989 40085 38616 38642 38813 36630 36485 41309 40851 38819 38651 41763 39605 40815 42917 Aminomalonic acid 13576 12159 16696 13190 14726 17825 13265 11251 12930 13931 13367 13340 9582 13104 10604 Arabino-Hexos-2-ulose, 3,4,5,6-tetrakis-O-(trimethylsilyl)-, bis(dimethyl acetal) 2487 3803 2132 1908 4065 2553 3065 2381 2638 3097 3908 1818 1063 2205 3010 Arachidonic acid 57099 53364 41211 46856 80685 72081 60545 38226 48936 61325 41702 29388 20873 32723 43266 Boric acid 120352 75787 151227 90321 127743 70048 48973 51839 139700 63193 121834 86392 66135 531769 80425 D-(+)-Arabitol 1811 1034 1415 1043 2835 2617 1600 1920 1908 868 1409 1925 1375 1319 1039 D-Mannose, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, O-methyloxime, 6-[bis(trimethylsilyl) phosphate] 39004 50539 42048 47045 74205 37842 56613 58552 68279 78181 44443 29136 27049 28250 47043 D-Ribose, 2,3,4-tris-O-(trimethylsilyl)-, O-methyloxime, 5-[bis(trimethylsilyl) phosphate] 36229 46322 36128 37608 65657 35721 74938 46485 58405 69666 41987 28016 26422 31867 36222 Ethanolamine 319033 267965 238646 173690 377617 387132 254450 193384 220394 287600 302871 201802 127062 247689 288008 Heptan-4-ol 11708 10819 13255 10491 9849 10739 8819 11006 10152 10715 11875 10314 9415 10300 10247 Hydroxylamine 5829 6046 6158 7277 6097 6869 5052 6383 6563 5636 5962 6460 6691 4888 5460 l-Norvaline 830600 881171 816661 801251 1065138 952668 864564 685752 641733 816203 930729 752495 560470 687874 838603 L-Threonic acid 7669 11070 7617 7829 10920 13525 11720 9871 9021 9216 8196 6466 5248 7334 8387 Myo-Inositol, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate 14657 13223 14366 11332 17616 27689 15197 13552 12699 11810 17573 17484 12734 11202 17203 phenoxyethanol 1539 1015 1241 1415 1232 1290 1521 1559 1725 1230 1118 1930 1324 1599 1253 Phenylalanine 23009 20808 21253 19806 20515 24368 17079 15249 18343 21081 25816 27724 15841 22806 26739 Phosphoric acid, bis(trimethylsilyl)monomethyl ester 241563 291102 261841 255615 273998 331418 244898 285893 329142 367450 291273 248403 205897 201679 262763 2,4,6-trimethyl-Pyridine 43452 41538 42365 40890 40591 44462 36261 42031 42508 43239 38512 43092 42763 39342 42189 Scyllo-Inositol 19020 18241 19530 17331 19771 22976 19950 15988 13795 16615 12918 11394 9285 12393 13547 Methyl Stearate (IS) 107183 112668 112736 109424 112451 113135 100690 103711 110637 113513 106508 109156 101952 109799 115912 adenosine 18517 17676 11963 13939 13560 18621 12254 11690 20017 27656 36717 27669 31995 29786 9879 D-Glucopyranose 33996 46801 21796 34026 58225 113584 16264 37501 42072 33576 9805 16867 10149 15755 9111 Uknown Monosaccharide 583873 805056 528965 554938 872656 1145092 1351460 1046147 1323215 1180525 386180 353605 278486 298191 518145 metabolite_name rtimes Beta-alanine 12.044 beta-L-(-)-Fucopyranose 19.711 phosphoric acid 9.966 O-phosphocolamine 16.232 glucoheptonic acid 19.615 pyrophosphate 14.993 putrescine 15.709 heptadecanoic acid 19.8 arachidic acid 22.367 pyruvic acid 6.714 L-lactic acid 6.851 hypotaurine 14.113 sarcosine 8.032 myristic acid 16.887 L- sorbose 2 17.235 succinic acid 10.509 ribonic acid-gamma-lactone 1 15.052 uracil 10.777 uric acid 19.331 urea 9.599 xanthine 18.574 L-proline 10.321 3-hydroxy-3-methylglutaric acid (dicrotalic acid) 14.232 D-threitol 12.954 D-galactose 17.409 L-asparagine 14.984 benzoic acid 9.594 fructose 17.18 2,3-dihydroxypyridine 10.472 cholesterol 27.555 citric acid 16.615 L-glutamic acid 14.398 caprylic acid 9.81 ribulose-5-phosphate 19.603 glyceric acid 10.735 threose 2 12.371 D-glucose-6-phosphate 21.558 D (+)altrose 17.397 talose_R1 17.4 talose_R2 17.521 fumaric acid 10.94 oleic acid 20.504 D-allose 1 17.278 1-methyl nicotinamide 12.736 3-methyl-2-oxobutanoic acid 7.562 4-guanidinobutyric acid 13.348 stearic acid 20.675 methyl oleate 19.44 trans-4-hydroxy-L-proline 2 13.267 Creatinine 13.629 L-alanine 7.495 L-serine 11.174 aspartic acid 13.207 L-lysine 17.643 inosine 23.396 tyrosine 17.871 L-leucine 9.945 D-mannitol 17.81 L-ornithine 16.632 L-histidine 17.658 L-valine 9.151 L-threonine 11.464 L-tryptophan 20.349 N-acetyl-L-aspartic acid 14.828 dihydroxyacetone phosphate 15.929 O-phospho-L-serine 16.84 L-glutamine 16.092 L-pyroglutamic acid 13.232 glycine 10.456 glycerol 9.872 glycerol 1-phosphate 16.056 glycolic acid 7.049 hypoxanthine 18.6 DL-isoleucine 10.225 3-hydroxypyridine 8.047 malonic acid 8.919 2-hydroxypyridine 6.519 allo-inositol 17.245 myo-inositol 19.354 D-malic acid 12.794 nicotinamide 12.743 lactamide 7.959 acetoacetate 7.865 oxalic acid 7.883 palmitic acid 18.846 11-Octadecenoic acid 20.531 1-Monopalmitin 23.504 2-((2-Chloroethyl)ethylamino)ethanol 8.239 2,3-Butanediol 6.832 2-Butanol 6.825 2-Butenedioic acid 7.67 2-Keto-l-gluconic acid 15.946 2-Palmitoylglycerol 23.239 2-Pyrrolidinone 8.083 3,5-Dihydroxy-2H-1,2,4-oxadiazine 17.353 3-Aminodihydro-2(3H)-furanone 5.754 3-Heptanol 6.212 4-Aminobutanoic acid 10.281 Acetamide 11.06 Allyl(methoxy)dimethylsilane 7.251 Aminomalonic acid 12.499 Arabino-Hexos-2-ulose, 3,4,5,6-tetrakis-O-(trimethylsilyl)-, bis(dimethyl acetal) 12.593 Arachidonic acid 21.776 Boric acid 5.837 D-(+)-Arabitol 5.837 D-Mannose, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, O-methyloxime, 6-[bis(trimethylsilyl) phosphate] 21.206 D-Ribose, 2,3,4-tris-O-(trimethylsilyl)-, O-methyloxime, 5-[bis(trimethylsilyl) phosphate] 18.154 Ethanolamine 9.803 Heptan-4-ol 6.087 Hydroxylamine 8.696 l-Norvaline 13.275 L-Threonic acid 13.393 Myo-Inositol, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate 22.126 phenoxyethanol 7.476 Phenylalanine 14.438 Phosphoric acid, bis(trimethylsilyl)monomethyl ester 8.514 2,4,6-trimethyl-Pyridine 18.667 Scyllo-Inositol 18.667 Methyl Stearate (IS) 19.663 adenosine 23.825 D-Glucopyranose 18.154 Uknown Monosaccharide 16.598