Metabolite_name RefMet_name 116162 116167 116172 116177 116182 116187 116192 116197 116203 116208 116213 116218 116223 116228 116233 116238 116080 116085 116090 116095 116100 116105 116110 116115 116121 116126 116131 116136 116141 116146 116151 116156 Factors - SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Chloroform SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Glass Beads,Isopropanol SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Chloroform SamplePrepTreatment:Steel Ball,Isopropanol SamplePrepTreatment:Steel Ball,Isopropanol SamplePrepTreatment:Steel Ball,Isopropanol SamplePrepTreatment:Steel Ball,Isopropanol SamplePrepTreatment:Steel Ball,Isopropanol SamplePrepTreatment:Steel Ball,Isopropanol SamplePrepTreatment:Steel Ball,Isopropanol SamplePrepTreatment:Steel Ball,Isopropanol 2-isopropylmalic acid 2-Isopropylmalic acid 236 193 217 238 257 860 179 261 190 227 187 256 236 144 278 281 1655 1519 1404 1635 1241 1167 1211 1217 999 1055 934 1045 1102 1022 917 1113 2-monopalmitin MG 0:0/16:0/0:0 2052 2178 2155 2514 2402 5162 1767 2917 2024 1726 2007 2296 2889 2885 2187 2052 2065 2297 2177 2307 1879 2352 2395 2102 2499 1956 2646 2014 2907 2716 2101 3321 3-aminoisobutyric acid 3-Aminoisobutanoic acid 2300 3454 1590 2534 3537 927 888 3069 2470 3014 2614 141 2923 615 162 249 5409 2360 5268 1574 7065 6845 5503 7062 5582 2751 5553 618 6054 1013 3479 6837 3-hydroxypyridine 3-Hydroxypyridine 5090 5720 4856 4539 4721 4467 1018 5226 4877 4754 6368 8109 5865 5959 7734 12562 12373 11007 11323 13356 9884 11664 10583 10327 13762 14582 10567 13614 11894 19269 11946 14696 5^-deoxy-5^-methylthioadenosine 5'-Methylthioadenosine 580 605 561 524 649 1952 420 531 537 541 544 241 538 303 453 373 1320 1485 1318 1320 1608 1273 1330 1459 1163 923 974 1026 1281 828 805 821 acetohydroxamic acid Acetohydroxamic acid 37257 20425 54821 69109 35516 496 1339 15360 49899 27313 34073 53240 14420 29037 64261 101125 20431 14539 15911 17885 11046 10516 15826 13244 15885 26063 14078 24657 14322 8375 3537 5560 adenine Adenine 4350 6563 3728 4920 3411 1986 2996 6631 6893 6089 7613 4445 16169 4835 6274 5413 6104 3330 5488 4910 3887 5152 5481 2990 4795 6443 5730 3579 3853 6619 5489 3003 adenosine Adenosine 4109 5383 5001 6959 7095 11615 5038 7821 8056 8142 8373 3487 8676 6557 8922 9259 733 936 836 3340 2462 1821 1649 2500 2479 4555 4714 1994 3074 7612 2163 3390 adenosine-5-monophosphate AMP 112 288 146 80 200 695 173 113 223 319 337 184 1191 148 307 153 1411 2217 1357 2733 4067 1961 1310 4134 1925 1978 1633 1820 2972 1607 664 3954 alanine Alanine 211900 238955 184287 208761 240650 60128 170873 215297 232769 239578 224391 15568 257340 164927 67311 64270 180628 130348 161533 168993 191153 167999 183909 202806 175119 194507 208749 97940 190752 163037 148825 199051 alpha ketoglutaric acid 2-Oxoglutaric acid 1603 1891 1491 2176 2384 3607 1103 2322 2327 2175 2706 2938 2452 2110 3383 3459 2182 2774 1984 4286 4188 3214 2949 3981 2626 2446 2216 2284 2884 2605 2438 2399 arabitol Arabitol 13760 12270 13481 13919 14336 20219 9333 13461 1780 1808 1713 2301 2545 2481 2405 2098 11068 12359 10750 11783 11706 11001 10705 12813 672 444 568 574 900 918 1180 1881 arachidonic acid Arachidonic acid 1993 1330 2346 1960 1059 6188 1273 1244 1287 1661 1445 1180 918 1907 1641 2001 3033 2143 3018 2277 1148 2565 2917 1125 3226 3802 3048 3087 1786 3375 3291 1331 asparagine Asparagine 2189 2252 1970 2227 4019 1456 2139 2715 3065 2533 2474 1744 5328 2363 2932 3098 3845 5715 3611 5145 3747 4190 3744 5455 4849 4545 4494 5406 5382 6371 3570 8241 aspartic acid Aspartic acid 4336 5436 3443 4631 4745 5824 3477 4509 9615 8128 7572 6722 8461 7503 8997 9755 4408 4735 4974 7145 5296 4748 4614 6329 5209 7114 6120 5911 5483 9748 5264 5080 benzoic acid Benzoic acid 30033 26583 30263 25876 25305 25183 30433 25170 17244 21569 23782 17800 17784 48446 38902 37502 26168 21144 22106 25843 20898 23125 22867 18207 25889 24806 23474 25199 23242 30178 23333 25222 capric acid Capric acid 20012 15476 18561 16782 15944 23595 39540 18359 14145 13605 14902 22736 11918 30904 20902 12918 13509 14716 12526 14623 15141 13100 13340 12542 13949 14750 14629 16960 13919 19182 14863 16343 cerotic acid Cerotic acid 1204 1276 1705 1884 916 4434 1476 1158 1552 1472 1577 1540 1384 2994 1725 1896 3811 1865 3726 2078 1346 2256 2999 1205 2237 3453 2217 2699 1464 2697 4597 1647 elaidic acid Elaidic acid 27671 21307 28570 30975 18050 34813 16755 24961 20405 22487 26835 17630 15326 24803 20177 26101 41893 29670 43079 32164 23038 36740 40934 22287 39603 47908 42307 37727 30539 42917 52347 23080 ethanolamine Ethanolamine 170152 163239 183680 202612 195656 330059 116721 178797 156346 160432 163867 104425 169968 107672 142402 155721 146144 170277 119665 186271 166392 155462 133766 147610 134031 132067 128873 131813 135456 136441 106038 143388 fructose Fructose 847 1836 1669 950 1566 1655 1170 1372 1408 1104 1187 769 828 898 1100 1213 523 1113 717 818 1460 523 630 666 501 436 308 1146 446 1725 537 626 fructose 2 Fructose 592 1129 970 544 1096 1257 755 832 844 767 654 564 480 609 685 702 371 896 460 524 950 304 413 445 289 291 225 737 226 876 275 414 galactinol Galactinol 563 459 434 1007 459 2416 2218 1228 983 407 922 429 1071 464 811 1076 854 1119 829 665 433 1189 811 449 1416 1101 1073 1056 550 1393 1334 511 glucose Glucose 2243 4419 3294 2345 3924 2515 2428 3454 8367 6975 6220 5919 5436 3568 5123 4573 2136 2697 1780 2365 3702 1272 1578 1477 1401 1515 992 2295 1203 3166 1063 1966 glucose-1-phosphate Glucose 1-phosphate 27345 22341 29092 19235 36707 12807 24636 21771 14291 23373 17073 16145 15904 23744 12901 11888 4943 4948 5039 3510 3112 4243 4072 3291 4485 3430 4364 4759 3514 4438 4556 4018 glucose 2 Glucose 1016 788 978 781 935 2449 572 831 2750 2776 2469 2509 2643 2111 2234 2566 678 745 554 706 757 587 642 627 774 809 713 927 1027 973 922 1430 glucuronic acid Glucuronic acid 146 256 256 222 314 596 212 269 917 734 789 734 740 483 666 645 59 84 52 117 75 60 69 127 68 84 108 83 101 115 111 136 glutamic acid Glutamic acid 18897 15950 15863 19336 17294 42358 11070 20060 21246 16952 20496 17319 25185 14408 33283 29497 42426 50996 43953 53668 41839 42224 44704 47032 47133 48797 41560 56242 53425 46695 39498 50679 glycerol Glycerol 55784 57385 56882 58876 65662 80678 50876 65691 54260 52042 56587 45629 78327 52417 68859 65702 32698 37384 31057 41051 30148 37009 33234 29055 36138 34428 36622 33758 32372 43461 33342 32541 glycerol-alpha-phosphate sn-Glycero-3-phosphate 360401 296828 337144 329757 366568 307490 164577 332162 325616 321005 316428 354392 267600 189693 303166 281480 311725 332875 305200 329531 353135 323611 305168 360980 345224 360699 346907 350037 387848 343906 346009 451297 glycerol-beta-phosphate sn-Glycero-2-phosphate 31099 23305 26682 29545 35695 7015 14613 30184 24078 27671 26946 21044 24492 26033 20086 20822 19619 20263 23816 19783 23055 27160 24033 31178 27788 24552 26441 20089 27716 28287 24757 35610 glycine Glycine 19321 28605 17399 20054 19375 37659 22161 21770 44705 31423 27686 42560 31967 21950 33138 33896 18792 22847 21681 20281 22692 17896 18182 26680 23615 20343 19317 28048 23403 32840 24136 26390 glycolic acid Glycolic acid 7014 7471 7870 8218 8939 1257 15798 9693 6892 6027 7509 11408 9992 7861 11167 8466 5263 5609 4618 6951 5169 5139 5242 5445 7210 5913 5550 6296 6030 10050 6216 10685 guanine Guanine 325 604 228 261 256 1059 173 535 831 664 710 236 1335 414 483 324 204 119 132 118 92 111 112 111 210 167 217 115 198 223 195 153 guanosine Guanosine 7491 6937 7267 7616 7805 12277 5427 8352 9086 9048 9160 10084 8771 6105 11357 9174 3719 3974 3884 5099 5336 4253 4208 5042 4902 5549 5430 4593 5775 5717 4182 5646 heptadecanoic acid Margaric acid 10412 9151 10084 8882 10005 15619 13555 9757 8160 8389 7505 11053 7476 12450 12999 6420 8108 9264 6997 8141 8779 8104 8237 7825 8705 7620 8947 8251 9282 9102 10609 8004 hydroxylamine Hydroxylamine 24952 22457 28707 35233 17222 78130 39241 30156 24740 15422 29076 45958 25529 21605 45829 50073 69428 76747 59202 82114 49185 57200 65807 52426 78975 91160 84837 120083 65250 125779 82238 84983 icosenoic acid cis-Gondoic acid 3051 1903 3232 2425 2605 34846 1561 2359 2016 2160 3070 2253 2658 2630 1858 2259 5187 3329 4820 4884 2914 4455 4774 2941 4599 5612 4255 3908 2065 4669 5860 3649 inositol-4-monophosphate Inositol 4-phosphate 9726 8305 9987 10823 8947 8008 7985 9240 12942 10817 12863 14429 10185 7871 12924 11050 18598 16567 18261 16041 18869 18116 20058 17992 21561 28005 21335 21195 21147 24493 28029 28781 inositol myo- Myo-inositol 4311 3804 3918 3938 4739 4434 2493 4512 5560 5945 5435 5399 5440 3967 5677 5688 3370 2882 2930 3425 3529 3133 3211 3273 3624 3992 3779 3666 4013 4355 3332 4234 inulobiose Inulobiose 4256 4343 3075 6299 2559 7313 1195 6582 3157 1293 3939 716 1511 1962 2259 846 1329 677 818 817 417 748 675 314 1051 1218 918 851 472 1476 1125 494 isogalactinol Galactinol 47006 38412 51260 50124 37797 52351 74278 74183 28883 33992 37828 69348 42455 28754 62509 47004 4692 2518 4459 3601 2208 2894 3436 2211 3383 4812 3415 4650 2665 4053 4479 1769 isoleucine Isoleucine 10700 10770 8969 7796 10344 2548 9502 8988 19005 16065 13160 2913 13228 11156 9732 9669 6162 7584 6313 7232 6878 5990 6156 8043 7678 7198 6909 6522 7754 7305 6626 8121 lactic acid Lactic acid 272706 587798 298556 232106 271612 3872 1120288 218056 187085 202492 141658 572203 139336 594639 403932 238746 128518 213343 142296 210842 180168 128946 132842 186126 164075 140269 145029 201319 196095 219231 97268 177820 lauric acid Lauric acid 47713 42148 45088 42960 48794 73663 51632 43145 31172 25400 19578 31603 20972 53539 35247 25365 32920 33658 28462 32986 61375 30637 33312 35308 21912 18681 23097 27676 27553 32007 23822 26923 leucine Leucine 31028 29544 27968 27915 33272 6751 23143 29536 49930 45266 40822 5824 39933 28901 18325 21162 22476 21877 20426 21486 23290 18134 18686 6233 22667 888 20692 15987 22501 4855 4177 6182 leucrose Leucrose 5722 5749 6881 10586 4948 15686 5566 9381 8303 5053 7932 5587 7488 5260 6101 6417 15401 9928 14589 12812 8398 12618 14234 7195 15363 19962 17231 17254 11559 17708 20865 7754 lignoceric acid Lignoceric acid 1668 1742 1514 1991 1379 3408 1735 1476 1863 1825 1971 1961 1447 8314 1802 2332 4948 2569 5301 2826 1842 3055 4223 1854 3358 4920 3591 4035 1864 3896 5847 2433 linoleic acid Linoleic acid 20885 16867 21176 24933 18183 21477 13936 22074 17825 17696 21773 15649 18725 16935 16786 18659 30478 23152 30100 23835 19533 28757 28798 19574 30622 34290 31452 28775 25277 31151 39909 20873 linolenic acid Octadecatrienoic acid 108244 86607 112089 128036 92719 97224 77092 115612 95636 94947 116811 90764 89049 78457 91510 94840 136550 103516 145812 117182 97530 136482 154346 100310 140731 158728 160450 142430 127510 146009 207362 106463 lysine Lysine 972 1099 1043 1191 1142 1191 775 1416 3884 3297 3369 1306 3593 2734 3181 4322 5596 5697 5512 5866 5354 5255 5501 6312 3960 4438 4102 4143 3592 4490 4128 3315 maltotriose minor Maltotriose 13874 12818 14125 12610 15933 15917 13342 14055 10030 12506 10155 22998 10738 5536 20558 6911 4311 3428 3703 5727 5065 4118 4032 5448 2597 5478 4816 4335 4645 5313 3694 7891 monopalmitin-1-glyceride MG 16:0/0:0/0:0 6940 7073 7615 7036 7560 8571 6660 9367 5590 6049 5918 8323 7241 7596 8240 6545 3619 3882 3781 3985 3650 4134 3970 4205 4605 3672 4392 3532 5352 4624 3721 6027 myristic acid Myristic acid 17842 15748 16816 16441 16345 23561 31026 15865 13080 14466 12437 21599 11677 18015 24409 11962 12771 14048 13026 12944 16672 13885 14523 13864 14591 13048 14398 12643 14761 15993 15733 10911 nicotinic acid Nicotinic acid 1256 1201 1271 1388 1220 2250 1538 1522 1175 1166 1468 1320 1322 1753 1336 2065 1415 1161 1197 1356 1288 1145 1124 1067 1362 1729 1314 1577 1288 9163 8637 9628 octadecanol Stearyl alcohol 1441 1264 1446 1242 1114 2747 1732 1246 1667 1195 1204 1690 1288 4824 1707 1601 1148 1463 1027 1384 1735 1260 1219 1106 2051 976 1625 1234 1143 1563 1251 1339 oleic acid Oleic acid 24812 19730 25059 27325 20034 23495 16289 21178 16477 16829 18327 14072 3177 16341 15322 17998 26007 20721 26072 26907 19040 30525 23135 18651 30659 24120 22249 30061 17396 31567 41485 17536 oxoproline Oxoproline 92270 95876 87357 91194 96911 38420 69892 105262 120215 95269 106836 99007 133922 220233 86362 140180 161883 136019 148384 122048 149364 160370 156583 189105 154661 135985 126376 129856 155825 147074 182435 213385 palmitic acid Palmitic acid 412642 345804 427201 423233 396756 579175 287062 377521 313511 360405 362655 306982 349442 286103 328797 351763 379309 359921 379657 345377 351734 378226 371950 331846 419746 445175 425330 396823 413463 431375 432705 371118 palmitoleic acid Palmitoleic acid 37535 28690 37212 38923 28932 34151 27578 32078 27146 30511 33981 25971 26677 32552 29702 31081 5432 25510 36382 31180 27004 30383 33067 26610 36609 40581 36443 37446 30323 39477 45565 20705 pelargonic acid Pelargonic acid 15896 15836 18670 24296 11068 24620 21116 11046 30997 15094 14610 15823 15892 24369 18317 16896 25262 25060 21760 22772 23265 26379 33083 18715 15234 19342 23656 35539 44697 32847 23103 23791 pentadecanoic acid Pentadecylic acid 13479 12475 12213 9085 11707 15917 28620 10719 9327 11506 8587 20622 8558 15171 23801 6654 7542 9086 7154 8055 9605 7901 7905 8473 9060 8366 9078 6966 9140 10515 11447 5877 phenylalanine Phenylalanine 3998 4187 3731 4927 4142 6850 3219 4987 8696 6095 6930 3909 7134 5602 6251 7327 4470 4963 4607 5328 3852 3432 3938 4239 3927 4129 3753 4242 4284 7231 4054 4714 phosphoethanolamine Phosphoethanolamine 2624 2108 2779 2384 1892 4401 955 1807 2044 2264 2464 501 1518 387 977 6679 3587 4131 3267 4498 3770 3608 3542 4746 4640 5231 4293 6296 4706 7339 4062 9455 phosphoric acid Phosphoric acid 453510 436644 451148 475800 454715 277575 307830 496060 407404 423477 437874 280420 474333 298086 289332 372795 677323 641844 678766 630558 706138 642692 636214 604752 588582 550815 611702 654170 530523 346793 501374 346018 phytol Phytol 321806 261304 296519 287410 360753 500052 191220 367334 273491 294015 281013 307477 336847 177827 268801 273450 189613 234294 204150 204850 235640 217615 198686 236938 229446 206675 217406 217803 259631 211505 224240 338023 proline Proline 10622 11985 8250 7293 12954 1622 7305 10580 23335 26807 18942 394 20299 8652 1622 1302 8343 9704 11508 7450 12282 9655 12834 12217 14733 10275 12042 4391 14945 8605 11359 13745 putrescine Putrescine 142109 132866 156966 149360 139835 239718 96751 163397 458148 444196 453199 474994 431202 338435 467555 508851 241601 292624 249305 283707 250572 275487 252546 332444 120104 102435 114822 134171 131825 145542 143572 172533 putrescine 3TMS Putrescine 2344 2520 1792 1122 2078 1357 1702 1881 2895 4095 2617 1607 2668 1582 2894 3556 2727 2788 947 1238 1963 2040 2229 2601 2123 3427 2192 3244 806 2984 2982 2270 putrescine CO2 adduct Putrescine 3709 3733 3877 4533 2602 5725 3371 4845 7906 7073 6809 8741 7525 5480 11157 10465 2778 2983 2667 3663 2418 2873 3574 2991 1560 1484 1328 2001 1609 1390 1589 1019 ribose Ribose 383 310 323 335 359 794 250 359 1023 1022 838 989 895 612 826 889 76 101 61 80 69 64 62 85 67 52 85 82 76 72 63 142 serine Serine 22782 33731 23364 23970 30636 2085 22349 28111 41044 28827 25487 28477 32532 25666 26996 36899 25676 32613 31791 33695 29828 28216 29475 36589 33606 30221 27471 36929 29681 32820 28180 35325 stearic acid Stearic acid 294592 250217 313660 307825 260162 421856 213946 266984 211685 222027 245173 205519 232192 343393 278374 279240 353486 308240 338956 290374 251193 332373 343707 247427 351866 378722 363329 309530 318343 351811 392617 281461 succinic acid Succinic acid 46577 43490 45684 45585 54842 78262 51817 50763 43593 52847 53472 48457 44799 40654 49629 39466 41143 37725 40175 49072 51151 45987 42560 49423 59508 61420 49087 62171 65379 114414 55437 118757 threonic acid Threonic acid 2392 1914 1846 2250 2217 5096 1167 2213 732 756 697 807 893 822 1172 1234 4424 4956 3916 4329 3604 3438 4152 4479 2912 3448 2722 3083 3077 3100 2430 3099 threonine Threonine 8207 8774 7395 5693 7656 5791 4622 8268 12008 9319 8983 10650 7494 14165 10086 17707 6143 5842 5534 5585 4693 4355 5113 4430 6001 6356 4554 7400 6565 7363 5657 5315 tocopherol alpha-Tocopherol 4729 3540 4407 4474 4114 9464 4244 4651 5078 5123 4970 7489 4736 2809 7047 4669 2295 2527 2188 2751 2918 2683 2476 2751 2620 2347 2487 2329 2847 2738 2150 3373 tyrosine Tyrosine 10860 10971 9448 11121 10932 3375 7348 11904 17955 14131 13755 6344 14273 10428 11227 14179 6758 6893 6859 6619 6190 5151 5794 6470 5977 5661 5682 5789 5644 6720 6297 5621 uridine Uridine 368 193 360 270 390 860 151 421 612 391 334 217 338 269 187 256 639 764 970 1238 1423 975 912 1410 1057 1175 1020 839 1650 899 817 1497 valine Valine 21991 23323 19640 17248 22979 9233 23061 18859 33973 31391 26537 2788 27417 21900 10688 13588 19713 22044 19319 20389 20066 18771 19592 23901 23786 23091 21316 16082 23557 23700 18799 27351 xylose Xylose 1184 1076 1058 1036 1102 3442 2957 913 3371 2979 2589 2547 2813 1883 1939 2355 691 521 413 168 785 465 342 693 427 575 517 359 579 928 929 1203