Metabolite_name RefMet_name Con:u00:Le:d04:a Con:u00:Le:d04:b Con:u00:Le:d04:c Con:u00:Le:d05:a Con:u00:Le:d05:b Con:u00:Le:d05:c Con:u00:Le:d06:a Con:u00:Le:d06:b Con:u00:Le:d06:c Con:u00:Le:d07:a Con:u00:Le:d07:b Con:u00:Le:d07:c Con:u00:Ro:d04:a Con:u00:Ro:d04:b Con:u00:Ro:d04:c Con:u00:Ro:d05:a Con:u00:Ro:d05:c Con:u00:Ro:d05:d Con:u00:Ro:d06:a Con:u00:Ro:d06:b Con:u00:Ro:d06:c Con:u00:Ro:d07:a Con:u00:Ro:d07:b Con:u00:Ro:d07:c ES7:u10:Le:d10:a ES7:u10:Le:d10:b ES7:u10:Le:d10:c ES7:u10:Ro:d10:a ES7:u10:Ro:d10:b ES7:u10:Ro:d10:c ES7:u03:Le:d06:a ES7:u03:Le:d06:b ES7:u03:Le:d06:c ES7:u03:Le:d10:a ES7:u03:Le:d10:b ES7:u03:Le:d10:c ES7:u03:Ro:d06:a ES7:u03:Ro:d06:b ES7:u03:Ro:d06:c ES7:u03:Ro:d10:a ES7:u03:Ro:d10:b ES7:u03:Ro:d10:c ES7:u05:Le:d06:a ES7:u05:Le:d06:b ES7:u05:Le:d10:a ES7:u05:Le:d10:b ES7:u05:Le:d10:c ES7:u05:Ro:d06:a ES7:u05:Ro:d06:b ES7:u05:Ro:d06:c ES7:u05:Ro:d06:r ES7:u05:Ro:d10:a ES7:u05:Ro:d10:b ES7:u05:Ro:d10:c Factors - Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:b Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 04 | Replicates:c Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:b Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 05 | Replicates:c Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:c Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:b Sample Type:Control | Concentration:0.0 ug | Sample Source:Leaves | Germination:day 07 | Replicates:c Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:b Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 04 | Replicates:c Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:c Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 05 | Replicates:d Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:a Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:b Sample Type:Control | Concentration:0.0 ug | Sample Source:Roots | Germination:day 07 | Replicates:c Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b Sample Type:ES7 Treated | Concentration:10.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:c Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b Sample Type:ES7 Treated | Concentration:3.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:a Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 06 | Replicates:b Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:a Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:b Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Leaves | Germination:day 10 | Replicates:c Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:a Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:b Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:c Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 06 | Replicates:r Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:a Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:b Sample Type:ES7 Treated | Concentration:5.0 ug | Sample Source:Roots | Germination:day 10 | Replicates:c 1_7-dimethylxanthine Paraxanthine 2.6880 1.7655 1.9867 1.7293 2.0148 2.0336 2.2054 2.1059 1.6137 3.3219 2.5350 3.5113 1.7655 1.0704 1.1375 2.2327 1.7225 -0.1520 1.9635 1.6781 1.3219 3.0875 4.7334 1.6323 1.3721 1.7648 1.5400 4.1127 3.9069 3.7225 1.9848 1.1426 1.0531 1.7194 0.8904 1.3261 2.4060 4.1779 0.3785 2.8679 4.6724 0.3785 1.9165 1.4943 2.1717 1.0704 0.7944 4.8480 4.5361 5.8405 4.7225 2.5071 0.8480 3.8176 2-methylmaleate Citraconic acid 3.0875 4.2780 4.0618 3.5152 2.9260 4.6029 2.9667 3.0165 4.0304 3.4834 3.2630 4.2622 4.0959 3.1375 2.2928 2.8186 2.4330 2.2093 2.4854 2.1699 2.4594 1.9635 3.2265 4.0378 1.9260 2.9468 1.9260 2.5361 4.3163 3.6852 3.3505 3.7442 3.0179 2.5928 2.1375 1.7552 3.4187 3.1031 2.7866 4.3274 4.2848 4.1841 4.0875 4.1043 2.5076 3.4552 2.2016 2.7225 4.3388 4.0412 4.7119 3.8913 4.0867 4.1504 3-hydroxyisovalerate 3-Hydroxyisovaleric acid 5.3327 4.6354 3.5969 5.2095 4.4463 3.8875 2.9069 4.5128 4.3867 4.1323 5.2207 5.6708 5.5759 5.2555 5.3291 5.0488 4.9495 3.7075 5.5880 5.0356 4.3854 4.9165 5.7814 5.0704 3.9635 4.0179 4.3074 2.9449 3.2928 2.2327 2.6781 3.8712 0.7655 4.3722 3.0790 1.6323 5.0312 5.1977 4.8125 5.4919 5.4463 5.3327 5.1619 5.3957 4.2555 2.9260 3.3219 3.7866 5.0917 3.0875 4.9588 3.9727 4.5298 3.7655 3-hydroxyphenylacetic acid 3-Hydroxyphenylacetic acid 2.8229 1.5361 2.4828 2.8480 2.1141 0.7655 2.7071 2.7004 2.4330 3.0704 2.1043 3.5814 2.2567 2.1022 1.3674 3.2172 1.1375 1.8269 2.1296 1.9635 2.7543 3.4549 3.5484 3.7779 2.2327 3.5236 2.2049 3.8587 4.6024 4.6439 2.3053 2.2630 2.4330 1.8351 1.2988 1.5115 2.6528 3.1976 2.4330 4.0875 4.2928 2.8641 1.6323 2.7225 2.1685 2.3416 1.3250 3.7003 2.2928 4.3261 4.0736 3.8855 3.4317 5.0268 3-methylhistidine 3-Methylhistidine 3.7004 4.6837 3.6893 3.9795 3.6684 4.0660 3.2872 1.2016 5.8679 3.7823 6.2517 4.9318 1.0704 0.6781 1.5850 1.7225 3.4594 2.4775 4.3147 2.7866 4.4660 2.0704 3.3074 2.2016 1.4854 1.0704 2.8255 2.8679 2.5607 0.6781 3.3923 2.9619 1.6323 5.4396 2.2466 1.8875 4.0704 1.6323 1.6781 4.4586 4.5361 4.0741 6.0312 5.2965 0.3785 3.3923 1.4330 4.2327 4.1375 2.2016 1.8074 2.5110 3.0462 2.3505 4-aminobutyrate gamma-Aminobutyric acid 4.0704 6.2755 6.5622 6.2133 6.1293 6.3183 6.3956 6.9529 6.4584 6.2517 5.9565 7.1175 6.9009 6.7866 6.6639 6.9727 6.8924 6.9402 6.6539 6.5865 6.3074 7.7361 7.5515 7.7957 5.0163 7.0821 7.1436 8.8623 8.4373 8.2905 6.3913 5.8111 6.2547 5.8354 5.4263 5.8924 7.5803 7.5969 7.3192 8.3161 8.5538 8.3421 5.5969 6.1043 7.0011 6.6381 6.5638 7.9530 7.5345 8.7238 7.0617 7.9478 7.8762 7.8163 5-aminolevulinic acid 5-Amino-levulinic acid 4.3646 4.9021 5.4919 5.0747 4.5969 5.9773 5.2327 6.5699 5.0704 4.6781 5.9750 6.3893 5.4757 4.7004 5.0747 5.3399 4.9910 4.7602 5.1085 3.3219 4.4529 5.6554 3.9165 6.2873 3.1699 4.5361 4.3434 6.1779 6.0422 5.3785 6.4998 4.2095 3.7970 2.5361 6.1043 5.0875 6.1334 6.2016 5.9773 4.4790 6.1497 5.9635 5.1497 6.4578 3.0531 3.8480 5.0312 6.9887 7.1106 6.0896 6.1739 5.9542 5.7892 5.8405 5-Hydroxyindole-3-acetic acid 5-Hydroxyindoleacetic acid 2.2630 2.8462 2.2157 2.4936 2.4594 2.3219 2.9635 1.8875 2.2041 3.3846 2.5083 3.4358 1.3785 1.6078 0.5850 2.2327 2.1043 1.9260 2.4346 2.1191 2.8925 3.6781 2.7655 3.2016 1.4330 2 3.0179 4.0790 4.4983 3.6554 2.3760 1.6323 0.5850 2.1385 1.2941 1.4345 2.8875 2.1699 2.5110 4.3219 4.2479 3.6439 2.0270 2.0553 2.1699 2.1590 1.1535 2.5850 2.2016 2.1375 2.0356 3.7004 3.5969 3.6088 Acetate Acetic acid 3.7379 4.2403 3.7549 4.4365 5.7549 4 3.8733 6.0596 5.3111 5.8875 4.2630 5.7629 1.4854 3 0.1375 3.7761 3.9910 3.0704 3.8861 3.0704 4.4594 4.3147 4.1699 4.5607 2.8819 5.7361 2.5850 4.2555 5.3434 4.8176 3.6102 4.2734 1.0704 3.7866 2 2.9300 3.3785 3.2780 3.3923 5.0790 5.0531 4.7814 3.4725 3.4060 2.1699 5.1169 2.9260 5.5515 3.9260 7.3399 4.0875 4.7388 4.5789 3.9727 acetol Hydroxyacetone 4.9910 5.8074 5.5267 4.4662 3.9142 4.0121 4.2630 3.1538 4.7170 4.1425 3.8176 5.4091 3.4463 3.4641 2.9677 3.6525 3.8552 3.0824 3.7950 3.4090 4.0293 3.6722 3.2327 4.8972 2.4330 2.9069 3.3219 4.8294 4.2172 2.9449 4.7918 5.5014 2.8051 3.2479 2.5937 3.7866 4.2102 2.8679 3.9433 4.5987 2.6781 4.8435 2.6323 4.3219 2.8278 4.1538 2.8875 4.6059 4.9515 4.5229 4.9017 4.8777 4.9910 5.0400 Acetylsalicylate Aspirin 3.0531 2.9189 2.4543 2.9260 2.5521 2.0356 3.3219 2.4060 2.9819 4.2630 2.2327 3.5879 2.1600 2.0788 0.9805 3.6781 3 1.3219 3.4594 3 3.4594 3.6439 3.9069 3.4725 1.6074 1.8875 1.9635 2.8074 3.5969 3.2080 2.2772 2.0037 0.3785 0.5850 1.2006 2.2016 2.5879 2.4594 2.6952 5.0704 5.1977 4.9355 1.7225 0.4854 1 2.3468 2.1375 4 3.2780 3.5607 3.1375 3.9069 3.0875 2.2327 Anserine Anserine 2.9260 5.2668 2.6323 3.1210 3.2172 3.0875 3.2016 1.7225 3.1043 2.4594 2.3505 4.2680 2.5607 2.6323 1 3.5236 1.2630 3.0531 2.6088 3.6554 3.1538 4.7060 5.0917 4.5850 3.3923 1.7225 2.5716 5.3576 2.6554 3.9260 1.7655 2.3219 2.6088 1.6781 1.7384 2.6781 0.6781 5.2403 4.9307 5.2133 5.1938 1.1375 2.3219 3.2607 1.2630 2.5915 1.9371 4.5668 3.7442 3.9165 4.5298 5.0312 3.3923 5.0488 Ascorbate Vitamin C 4.1918 4.8278 4.6088 4.8176 3.9681 4.2280 4.5298 4.2563 4.8621 4.1450 4.6963 5.4109 4.7115 4.7388 4.8430 3.0179 2.7442 3.1926 4.0504 2.7655 3.8807 3.9339 3.5239 4.9644 2.8278 4.1289 3.6435 5.4186 5.0475 4.9592 4.3504 4.5849 3.2732 4.8379 3.5110 3.1679 4.3218 3.4463 4.2250 4.7238 4.0704 5.0277 4.5656 4.5837 3.5866 3.5361 3.5236 5.4660 5.5910 4.2479 5.2327 5.1651 5.0613 4.9768 Biotin Biotin 4.3755 4.6696 4.2085 5.6410 6.0135 4.6140 5.8777 5.4275 4.9987 5.9331 5.4161 5.6914 5.1416 3.1210 4.8924 2.2630 4.0227 3.9819 3.9819 2 3.0704 4.3854 4.0235 4.8022 3.5576 4.2436 3.9303 5.9425 5.6600 5.1144 5.9449 4.5321 4.0684 5.8405 4.0090 3.5673 4.4837 5.9977 4.6977 5.0790 4.5110 5.2515 4.9756 4.7334 4.5729 3.5850 3.6123 4.8680 5.1440 6.0704 5.9910 5.8048 5.6893 5.2285 Caffeine Caffeine 3.5722 2.2327 2.6052 3.1099 5.0090 3.1817 0.6781 2.8602 3.0778 2.4060 3.3923 4.8329 1.2016 3.8278 2.1375 5.3038 3.5110 2.0327 3.5729 3.6088 4.6668 3.3452 3.2433 3.0875 1 0.4854 2.5974 3.1210 2.6781 1.9260 0.3785 -0.1520 0.1375 1.6781 1 1 3.5969 4.1127 3.4463 3.4405 2.6323 4.0090 2.1043 5.1938 1.6283 3.1210 2.9635 0.7655 4.9588 4.4660 3.5110 1.5361 1.4330 1.5361 Creatine Creatine 2.4330 1.8581 1.9714 1.6217 2.0644 1.8996 2.0304 1 1.7633 3.2444 2.8074 3.7080 1.3219 2.0191 2.2327 1.3219 0.7655 1.8875 1.3785 1.2630 1.0704 3.4751 2.1375 2.5858 1.9795 2.0186 1.3219 3.8890 3.8972 3.3911 2.2800 1.4483 1.0836 0.9260 0.8128 1.4494 0.7655 3.7115 1.2016 2 4.0420 0.6781 2.0880 1.5667 3.0704 3.5361 0.3785 6.6308 6.3074 5.9117 5.7840 2.1699 2 1.7655 Dimethylamine Dimethylamine 4.1859 3.0179 3.1375 6.4902 5.0312 4.9955 5.7549 5.4396 5.7142 7.3237 7.2422 7.8960 5.5637 5.3682 5.7411 1.2016 4.2705 0.2630 5.4308 3.9819 5.9162 2.5361 0.4854 4.9402 10.3644 11.6500 11.7136 7.1473 6.8727 11.6407 9.4475 9.7225 9.7576 0.5850 11.0389 1.9635 4.0531 9.8745 9.7420 9.8480 9.4751 4.8480 11.9161 11.9606 11.4696 11.6940 11.0510 5.9607 2.8278 5.7170 5.8125 4.1938 5.2555 11.6982 Dimethylglycine Dimethylglycine 2.8180 2.4641 1.1375 -1.3219 2.1043 1 1.8875 2.2016 2.4787 3.4997 2.2630 2.8074 2.6323 1.8142 1.0704 0.3785 -1 1.1375 0.8480 2.5111 4.6496 4.7060 1.3785 1.6237 2.3785 2.6088 4.8176 4.2555 1.2016 3.8379 1.0704 1.5850 2.2594 1.2630 1.5738 3.6554 3.4330 2.9449 4.8074 5.1619 1.3785 2.3505 1.1375 1.8165 4.0090 1.5361 2.1375 2.3785 3.7115 2.0704 1.9260 1.2630 1.3219 Ethylene glycol Ethylene glycol 12.1623 12.2386 12.1339 11.0806 10.3219 10.6107 9.1669 9.3659 9.1604 8.3850 10.6931 8.1355 9.9450 9.7017 10.2535 9.5670 9.4185 8.4413 9.0645 8.7934 7.8592 6.8741 4.5110 6.6162 5.2172 6.8253 4.6893 5.4463 6.2687 4.4854 10.3302 10.0079 10.6277 7.5992 10.6508 8.6865 7.8796 10.0804 10.2071 6.9153 5.6639 6.5999 11.7500 11.8480 9.0441 9.5026 8.5407 8.6854 8.7262 7.9554 7.9171 4.7814 4.3923 6.5078 Ferulate trans-Ferulic acid 2.8679 2.5050 2.3397 2.1699 2.5530 2.1043 1.5850 2.7004 2 3.8875 3 2.8074 3.1210 1.4854 2.7225 3.5110 3.1699 3.7866 3.9635 3.4594 3.7115 2.9635 4.2016 3.6439 0.7655 2.3219 2.1375 5.5607 4.1976 3.5128 1.6323 1.8875 0.9260 2 1.4854 2.8278 2.9990 3.5325 3.1043 4.0841 4.3923 5.6323 2.2719 2.1375 2.2327 1.9260 0.5850 3.7585 4.7655 3.9260 4.4919 4.0528 3.3622 3.5972 Fructose Fructose 10.4217 11.3571 10.2576 10.3211 11.0633 10.0167 9.1975 10.7507 9.0798 11.3147 10.1299 8.4354 11.0768 10.3480 10.6738 10.7905 10.4558 10.5948 10.7262 10.5424 10.3189 11.6268 10.6951 11.6988 8.7774 10.0246 10.8358 12.3872 11.5318 11.8769 9.6691 9.4357 10.2547 8.6724 12.2403 11.4844 11.5777 11.1754 11.3378 11.5583 11.4196 10.7693 10.5024 10.9764 9.8104 10.7118 10.6579 12.0235 12.2027 12.1197 12.1390 11.6454 11.7310 11.9253 Fucose Fucose 5.6439 5.8906 6.8654 6.1964 6.1988 5.9598 6.2626 6.7699 6.0500 6.5704 6.3155 6.9393 5.2705 5.9658 6.5999 5.6058 5.9612 5.2928 5.8415 5.4026 5.4296 5.6439 6.0201 5.7004 4.2498 5.4314 5.7471 7.2046 7.6503 7.1819 5.8673 5.4946 5.9049 5.3198 5.4098 5.8754 6.3381 6.1497 6.2133 6.8667 6.7866 6.8887 7.0345 7.1085 5.4234 5.2822 5.5214 7.2104 7.4405 7.0520 7.0725 5.5940 5.2593 5.6352 Galactarate Galactaric acid 5.9977 5.7495 5.8777 4.5484 5.5392 3.5607 6.1579 6.2346 6.3416 5.5752 6.1840 6.3698 5.9887 7.6103 6.9600 7.4060 6.9009 7.0757 6.1293 5.8826 5.4355 6.4446 6.4463 6.6963 4.9681 4.1210 7.1272 8.5661 8.7586 7.6668 4.4128 3.7549 4.4396 4.2555 4.2172 6.1739 7.7748 6.7642 6.9260 8.7698 6.7996 7.5446 5.3147 6.1436 6.1436 6.7602 5.9864 7.5243 6.5865 6.0790 5.3147 8.3737 8.1684 6.6029 Galactitol Galactitol 7.9323 7.1001 7.9816 8.2497 8.7049 7.8499 7.5999 7.4305 8.1406 7.7629 7.4665 7.9048 7.5609 7.4034 7.8524 7.6162 7.2422 7.2026 7.3376 6.8312 6.3975 7.0575 7.0353 7.6352 6.3255 6.5125 7.1888 7.9201 6.1878 6.1457 7.7087 7.2599 7.7377 7.2457 8.1102 7.6131 7.5880 5.5298 8.0274 7.4512 6.0400 8.1252 7.7519 8.6033 7.2741 6.0509 6.5668 8.4508 8.2808 8.1619 7.8728 7.4512 7.0715 6.8863 Glucarate Glucaric acid 6.2075 6.0984 6.4195 5.7233 6.3758 5.8530 5.8624 6.7055 5.9362 6.1227 6.0531 6.9090 6.2133 6.1799 4.9588 4.5361 7.3940 5.8777 5.8999 7.4838 5.1252 6.3434 6.8679 5.8728 3.6554 4.7630 3.6668 7.0862 7.2104 7.1729 5.8290 4.8139 5.3074 5.2405 5.3038 5.7606 7.7039 7.4586 6.7536 6.1252 5.7787 6.7401 5.6525 7.4790 4.3785 4.7866 5.0312 6.0023 6.8647 6.8758 6.3812 6.1799 6.3067 6.8138 Glycerate Glyceric acid 7.5638 10.0281 8.6490 8.8977 9.3592 8.9211 8.0179 8.7633 7.1967 8.3698 8.7851 8.1452 8.2512 7.1272 7.7662 8.8458 8.4229 8.2919 8.9278 8.4998 7.9251 9.5636 9.4353 7.5929 7.1018 7.8707 8.2147 11.2814 10.7431 10.6524 7.1997 7.0079 7.3811 8.1205 9.0307 8.0671 8.6257 7.3399 7.7361 9.9666 9.9907 10.1543 7.8697 8.3142 8.2689 8.0282 6.5660 7.9594 9.0107 8.3296 8.3633 10.0189 9.5417 9.7440 glycerate 2-phosphate 2-Phosphoglyceric acid 7.3789 7.1589 7.7688 8.1054 7.9519 7.9212 7.8215 7.5937 7.7606 7.6052 7.2992 7.9744 7.4943 6.3733 7.3336 6.8802 6.7347 6.9831 7.1085 6.5125 6.6949 7.6088 6.9507 7.3371 5.2055 6.9667 7.4084 8.3296 8.2351 7.9313 7.7905 7.0831 7.6436 7.1661 8.2168 8.0095 7.8400 7.7201 7.3809 7.7721 7.9646 8.3165 7.5863 8.2239 7.2172 6.8753 7.0542 8.2334 8.4727 7.4774 7.5615 7.7032 7.4862 7.7046 glycerone Dihydroxyacetone 1.4854 1.7826 1.8395 0.6781 1.6781 2 2.1147 2.2327 0.7655 3.3505 4.0959 4.5850 1 0.5847 1.5943 1.4155 0.4581 2.0413 1.5787 1.5606 2.4663 2.9220 1.3219 1.2630 0.6781 1.5361 3.0114 3.0809 2.3394 1.5361 1.3647 1.8480 2.3219 0.2630 1.2630 2.1432 -0.3219 1.1979 2.5358 3.3258 1.8883 1.7225 -0.3219 1.4854 -0.1520 2.4508 1.2630 1.0704 1 -0.3219 -0.7370 2.8712 Glycine Glycine 10.7485 10.9744 7.2564 8.2724 10.4839 10.2643 10.1034 10.0918 10.3279 10.2658 11.2715 9.3108 10.6610 9.9332 9.6084 9.1174 8.8592 8.0307 9.0190 8.3919 9.0914 4.3505 8.7794 4.4983 8.3768 8.1943 8.5169 9.8624 8.8179 8.8048 9.3856 9.5167 9.7163 9.7915 11.1880 9.0650 9.2432 10.7042 4.7170 9.6489 5.3219 9.0792 5.7655 8.4549 9.5086 9.4088 4.3291 6.1739 10.1198 10.3682 10.3801 9.2386 9.3394 8.4919 Glycolate Glycolic acid 5.1001 5.7197 5.3610 5.9681 7.2211 6.4983 6.0875 7.4520 4.9727 6.5329 7.3065 5.7682 0.8480 4.0790 5.4026 2.4330 5.6147 4.3923 5.3434 4.1043 5.9117 6.1679 7.9278 6.7721 3.8972 6.8900 5.7866 5.3183 8.9924 5.3399 6.0334 6.1957 6.5820 5.8757 3.7004 4.2854 5.6696 5.8952 5.7388 5.9612 4.8679 6.4968 6.9807 6.7735 6.0067 5.7970 2.7225 5.8555 7.5461 5.2095 5.2517 8.9997 8.9003 4.1457 Guanidoacetate Guanidoacetic acid 8.0285 12.6467 12.6274 10.9922 10.4817 10.1695 8.6685 7.5181 8.1812 7.9301 8.7479 8.1030 8.1849 7.1467 7.9915 7.5014 7.1528 6.4162 7.4085 6.8517 6.6366 8.6618 7.7046 8.8499 6.6461 7.5022 7.4660 9.7733 9.3597 9.2517 10.9987 7.0938 7.9989 8.2512 9.8400 7.4798 8.3478 9.4477 8.5699 8.8555 8.2775 7.8918 12.0090 12.0337 9.5940 8.7208 6.7748 10.5672 9.2863 7.6582 9.0318 8.5958 9.0620 8.8316 Histamine Histamine 2.9260 1.5850 2.6010 3.5110 1.6323 2.5361 2.5361 3.9635 2.4341 3.4330 2.8278 3.9937 2.3219 4.1127 4 2.3785 1.5361 2.5850 1.2016 2.8679 3.7442 3.4426 2.0356 4.0790 2.0054 3.0179 1.8480 2.5607 6.2250 4.1578 2.8175 0.2630 2.0166 1.3219 1.1780 0.7655 2.6323 3 5.5361 3.0875 4.6264 3.3915 2.6323 2.0356 3.4725 2.4107 1.5328 4.6147 4.9212 4.7170 4.7004 2.4594 5.6147 5.3505 Isobutyrate Isobutyric acid 3.0699 3.3776 3.3768 4.6611 2.5391 4.5607 2.8679 3.1448 2.4854 3.3313 3.7285 4.5073 2.9036 2.7696 2.3653 3.3271 3.1968 1.2630 2.6323 2.9570 3.7237 3.4991 3.4769 5.3889 1.6747 3.2301 2.6335 4.4158 4.6422 4.1432 2.2928 1.4854 2.9449 2.2337 1.5997 1.9540 3.5167 3.0875 3.2290 3.7549 4.5478 4.4456 3.3003 3.5102 2.5201 2.9549 1.4330 4.3358 4.6937 5.0495 4.9111 4.0653 4.2172 4.3035 Lactose Lactose 5.9260 7.5033 7.1787 7.7905 6.6424 6.8589 7.4270 7.3677 7.1219 7.1449 6.2460 7.5044 7.2498 7.0553 6.9989 7.0748 7.1457 7.0290 7.4288 7.2055 4.9402 7.8176 7.8894 7.3443 5.2149 5.3681 6.8935 7.9983 8.3936 7.9583 6.5365 6.0664 6.8430 6.6976 6.9240 7.0290 7.7300 7.5038 7.4553 8.1090 6.9189 7.8461 6.7760 6.0704 6.1313 6.4192 5.5729 8.6589 7.1888 8.8836 8.7252 7.6675 7.7046 6.8741 Malonate Malonic acid 4.2403 3.5969 4.1293 4.4128 3.6088 3.3363 3.3219 3.8777 3.1375 3.1375 5.3716 5.2460 3.5110 3.9069 3.0875 4.3219 4.0959 3.1859 4.1538 4.0618 3.8074 4.6439 4.8278 4.8826 2.0356 2.8278 3.5850 5.9045 4.8074 4.1619 3.3256 4.3074 4.5298 1.6323 1.2016 2.4330 4.8227 4.7225 4.5668 5.2479 5.5880 4.6742 4.7549 3.7970 2.4060 2.5110 4.0959 3.7334 5.6809 5.4561 4.9773 4.8629 3.7115 4.0268 Maltose Maltose 6.9750 5.9088 5.8624 5.9442 5.6713 5.5989 5.8546 6.6213 6.0118 5.8665 6.3874 6.7726 7.7642 6.8517 7.6337 5.5993 6.1920 6.7129 5.8498 5.7966 7.1548 7.3345 4.1619 6.4838 4.2949 2.9635 5.0848 6.6323 5.9495 5.3219 5.5462 5.0415 5.3372 5.1078 5.0524 5.6599 4.7060 6.3696 5.4886 6.9495 5.9773 5.4790 6.0236 6.6579 5.1341 5.1405 5.2697 6.2185 5.5759 5.7576 5.8354 5.7549 6.5220 6.3646 Methylguanidine Methylguanidine 4.8480 4.6258 4.1293 5.6235 2.4330 3.9307 3.5850 3.3219 4.3576 0.5850 4.0268 5.3202 1.1375 0.9260 1 3.4292 3.4910 2.6404 3.7776 3.4341 4.1323 3.2327 0.3785 6.0747 2.6817 4.1779 5.1085 4.3576 4.4330 3.9819 3.6554 4.4594 2.5796 3.1717 4.2780 1.6781 4.2555 4.1375 3.6893 4.6323 5.9117 4.6537 3.6439 3.7549 4.8826 4.7602 3.4725 4.6668 4.5668 4.5361 4.6949 3.9260 3.9165 3.7866 N-Acetylaspartic acid N-Acetylaspartic acid 3.6668 3.9449 3.6781 3.0179 2.7374 3.6772 2.9524 3.2479 4.4128 4.1210 3.7761 4.5937 2.2725 2.6234 1.7678 3.4383 3.0756 3.1699 3.2559 3 3.5891 3.6519 3.6784 3.2479 0.4854 2.3738 2.4931 3.7176 4.1177 3.3414 2.5151 2.2630 3.3923 2.4594 1.5410 1.2630 3.5523 3.2916 3.5341 4.1977 4.4529 4.1779 3.0556 3.8051 2.1084 2.9863 1.9688 3.3505 3.9449 3.5236 3.5729 3.7795 3.5734 3.9279 N-Acetylglucosamine N-Acetyl-D-glucosamine 2.6781 4.6350 3.8903 4.8199 4.2656 4.2928 3.7677 4.3363 5.2211 4.7667 4.4790 5.7664 3.3074 4.4463 4.4195 5.0704 3.5729 2.7225 3.9165 3.6668 4.4529 3.7115 4.3147 5.2817 4.3785 5.1579 3.7000 4.7279 4.8629 4.4330 4.5046 5.7442 3.9260 3.6824 1.5850 3.4441 3.8875 3.1699 3.6893 4.7708 4.1938 4.9635 5.2928 3.6781 3.7334 4.1210 3.4149 4.0875 4.1457 5.9117 5.9355 4.9910 5.2055 5.8354 Phosphocholine Choline phosphate 4.4195 4.3546 1.1375 4.9083 4.9327 3.8794 3.8601 4.9707 4.8708 4.8815 4.9767 5.5634 6.3628 5.7142 5.6809 3.7418 4.1948 3.4976 4.3734 4.1216 4.4711 4.4650 4.5046 4.8730 4.1619 4.2479 4.3196 5.2820 5.1574 4.6224 4.1716 4.4252 2.0704 6.1739 2.9401 3.1541 4.3977 4.8600 4.2692 5.0199 4.7443 5.0719 4.4091 4.4685 3.9475 5.2172 3.4652 2.6088 5.1491 5.4722 5.2861 5.1053 4.9456 4.8087 Pyridoxine Pyridoxine 4.9542 2.2474 1.2016 4.0704 2.8679 3.2016 2.1020 1.8909 1.7733 2.7004 1.1375 3.3872 0.2630 0.9296 -0.3219 0.3785 -1 1.2016 0.1375 0.2630 2.2780 -0.1520 0.8480 1.6489 1.2425 1.4091 1 0.5850 2.0704 1.9877 0.2630 -0.3219 2.2016 -0.1520 -0.1520 1.3219 0.3785 0.2630 -0.1520 0.5850 2.1004 1.2016 4.9021 -0.7370 0.1375 0.8480 0.2630 1.3785 0.1375 0.5850 -0.1520 -0.7370 2.6622 Pyruvate Pyruvic acid 5.5699 6.9704 4.9542 7.3461 7.8845 7.2279 7.8808 7.9801 7.6760 7.7774 7.4246 8.0943 4.9864 4.8329 4.9069 6.4162 5.9425 4.5969 5.5014 5.3957 4.9773 5.3074 6.3820 6.7455 4.6029 6.0639 5.3854 4.2705 4.6837 4.0444 3.4725 5.7602 5.4594 7.4371 6.4060 7.4684 5.0618 5.2668 4.9212 6.1293 6.4822 6.3802 6.9331 7.1447 4.0090 4.7115 5.6639 4.6381 5.1375 5.4026 5.8455 4.0268 3.0875 3.6668 Sarcosine Sarcosine 3.3363 3.1375 2.5607 3.7549 2.6554 3.1538 3.4983 3.6033 3.7225 4.5969 3.9542 5.1449 4.0352 3.3760 3.3692 3.3505 4.5484 3.2928 2.7442 3.8806 3.9891 4.8340 4.0680 5.3255 3.6439 3.9090 3.1859 7.9087 5.3540 7.6235 1.6781 4.7115 1.8480 5.2211 2.8679 5.3505 4.3923 4.2172 3.1375 3.4983 4.1293 7.6359 2.7655 3.9542 2.9819 3.6781 3.0451 8.0062 4.5607 8.2007 4.1619 7.9681 4.7388 7.8936 sorbitol Sorbitol 9.7093 9.6904 8.3245 8.6135 9.6721 9.1238 8.2548 8.3376 8.0437 8.2470 8.5905 8.1077 8.5229 8.2775 8.0564 7.7666 7.8978 7.1986 7.5865 7.2705 7.9349 6.8770 6.9371 6.8650 5.9155 6.7767 7.3571 8.1953 7.5566 7.7354 8.6709 8.5767 8.2281 7.4666 8.7442 7.8629 7.9613 10.4220 7.2580 7.1487 6.8580 7.4187 7.9474 9.0292 7.8970 7.8059 6.9094 8.0514 8.8647 8.1197 8.2430 7.6292 7.3981 7.2184 Sucrose Sucrose 8.3768 10.0355 8.5622 8.4947 9.8530 9.3550 8.2991 9.1747 7.9819 8.3027 9.3608 8.0175 12.2550 11.2838 11.8655 7.5607 7.5407 7.0970 8.0118 7.4919 9.0930 4.0959 6.8304 4.3363 5.8286 6.5891 7.0312 7.0830 4.9635 6.6143 8.2427 8.0400 9.3407 7.5261 9.0031 8.3179 7.9796 8.8966 6.7211 3.7004 6.3439 3.7115 8.0837 10.3664 6.9796 7.8028 7.3210 4.3219 8.9375 8.1277 8.1288 6.8719 6.7671 4.2705 Syringate Syringic acid 3.0939 2.6786 -0.3219 -1 2.7830 0.1375 0.4854 -0.1520 -0.3219 3.7131 0.1375 3.9377 3.5134 2.5361 0.9260 3.4725 4.1538 0.6781 2.4854 4.9021 2.7657 5.8530 2.6554 6.1022 2.2521 5.2743 -0.3219 6.7347 7.0056 6.6147 3.2919 2.2733 -2.3219 2.8354 -1.3219 -0.1520 2.2928 2.3785 1.4330 6.2536 6.5789 6.3201 2.5562 0.3785 4.0179 -1.3219 1.3785 6.0112 6.3663 6.1043 6.0875 7.0246 6.8253 2.0356 Thymine Thymine 2.7746 2.5721 2.4247 3.3646 1.9635 2.6497 2.8278 2.3026 2.4538 3.3835 2.9354 3.7985 2.2630 2.2630 2.2016 2.2928 2.3219 1.9799 2.6768 2.0704 2.9260 3.5618 2.5361 3.4916 1.3322 2.1965 2.5062 3.9221 4.6029 3.6781 2.4330 1.7603 1.3219 2.6088 1.1992 1.5546 3.7866 3.4725 2.8875 4.0951 3.5361 3.6126 2.4903 3.2780 1.5850 2.3171 1.2234 3.8875 5.4822 5.4692 5.3576 3.9910 3.3785 3.4594 Trimethylamine Trimethylamine 2.8369 0.5850 1.7163 2.0356 0.3785 1.9936 2.3505 2.0704 0.6781 3.2409 1.7225 2.6088 1.6530 1.2128 -1 1.5361 1.0704 1.0704 1.7886 1.6379 1.7515 1.2630 3.3923 2.2928 1.4346 1.5454 -0.1520 2.2327 3.8972 2.4854 1.9148 0.9315 -0.7370 1.9260 0.5815 0.8149 1.7655 0.4854 0.1375 2.5850 2.3785 2.6323 0.4854 0.7655 1.8074 0.9415 0.6533 2.8278 2.8875 2.4854 3.8777 2.7655 2.3219 2.4594 Uridine Uridine 3.4659 4.3018 4.0130 4.2903 2.3785 3.9182 3.2175 3.4628 4.1255 3.2327 3.9725 4.9961 3.0661 2.9060 2.6640 3.4145 3.4356 2.8882 3.5494 3.1634 3.8631 3.7442 3.7476 4.9722 2.1809 3.6882 3.0319 5.4725 4.5910 5.3992 3.0797 3.7347 2.7519 1.8875 2.0581 2.3923 3.8379 3.5478 3.6069 4.4983 4.5110 4.4463 3.6340 3.9008 2.6885 3.4898 2.8392 5.1579 4.9021 5.0400 5.0488 5.2479 4.6581 4.8972 Valine Valine 2.4594 3.2172 3.4060 5.4496 3.8727 5.2928 2.8278 3.6088 2.8278 3.5607 3.8777 5.3286 4.1859 3.9635 3.9819 4.7970 4.5969 4.5729 4.9021 4.5850 4.4790 5.5789 5.7306 5.2182 0.1375 3.2630 3.7866 6.4212 6.4128 5.9117 2.8679 1.5850 2.9069 5.3111 1.2016 2.4594 4.8924 4.6206 4.2630 6.1457 6.5376 6.4709 2.8875 3.2928 1.8074 1.3785 1.9260 5.3785 5.2891 5.3255 5.3540 5.1334 4.8480 4.7655 xanthine Xanthine 3.0704 4.2780 4.8379 3.9260 3.7761 4.4725 2.8875 3.4854 4.9495 4.8629 4.7761 5.3147 6.7238 1.9260 3.2630 2.8679 3.5607 2.1375 3.6668 6.3593 4.2547 4.2095 2.8480 4.3785 3.0705 4.5298 3.6145 6.9910 6.2288 6.9887 5.2403 4.3576 4.7388 4.4060 3.3074 5.1293 4.0875 6.3092 2.3505 4.3992 4.4919 4.7388 5.3183 5.6781 5.3291 4.5969 3.7655 3.7866 5.1680 5.1659 5.3874 7.0896 6.0811 6.0917 Xanthurenate Xanthurenic acid 2.9260 2.9720 2.5211 2.9635 3.4706 2.9819 2.3785 3.2402 2.8282 2.4594 3.6554 4.7026 4.3576 4.2705 4.6147 3.7004 3.7866 2.5371 4.2403 4.5910 4.7655 4.0090 4.3923 3.4854 1.4533 1 2.7663 4.3147 3.7549 4.0356 2.3078 1.3785 1.4854 2.6486 1.3219 2.0100 2 4.3434 4.0618 3.9165 4.7602 4.3646 2.7707 2.5361 2.2075 1.1375 0.5850 2.1699 5.4128 5.5940 5.6410 3.9165 3.6668 3.8875 xylitol Xylitol 9.2425 8.6891 7.9116 8.3808 8.7722 8.6517 8.0376 7.7709 7.9246 7.8489 7.7448 7.9397 7.9715 7.4396 7.8526 8.0650 6.6907 7.0446 7.4391 6.9289 6.4870 7.5600 7.5407 7.3470 5.7322 6.9656 7.7522 7.8991 7.9222 7.7938 8.2853 7.2676 7.7707 7.3420 8.5714 7.4330 8.2413 7.6931 7.3783 6.8605 7.9960 7.1849 7.5972 8.5043 7.5872 7.2151 6.7868 8.2416 9.0819 7.9434 8.1058 7.7585 7.6523 7.4940