Metabolite_name RefMet_name 158618_2_CNTF_CTL_OD_14dpi_POS 159200_1_GREENL_CTL_OD_14dpi_POS 159200_3_GREENL_CTL_OD_14dpi_POS 159201_1_CNTF_CTL_OD_14dpi_POS 159201_3_CNTF_CTL_OD_14dpi_POS 175516_2_GREENL_CTL_OD_14dpi_POS 180968_1_GREENL_CTL_OD_7dpi_POS 180968_2_GREENL_CTL_OD_7dpi_POS 180968_3_GREENL_CTL_OD_7dpi_POS 180969_1_CNTF_CTL_OD_7dpi_POS 180969_2_CNTF_CTL_OD_7dpi_POS 180969_3_CNTF_CTL_OD_7dpi_POS 158618_1_CNTF_ONC_OS_14dpi_POS 159200_2_GREENL_ONC_OS_14dpi_POS 159200_3_GREENL_ONC_OS_14dpi_POS 159201_2_CNTF_ONC_OS_14dpi_POS 159201_3_CNTF_ONC_OS_14dpi_POS 175516_1_GREENL_ONC_OS_14dpi_POS 180968_1_GREENL_ONC_OS_7dpi_POS 180968_2_GREENL_ONC_OS_7dpi_POS 180968_3_GREENL_ONC_OS_7dpi_POS 180969_1_CNTF_ONC_OS_7dpi_POS 180969_2_CNTF_ONC_OS_7dpi_POS 180969_3_CNTF_ONC_OS_7dpi_POS
Factors - Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush Treatment:Crush
(10S)-Juvenile hormone III diol 0.7312 0.4256 1.1845 1.6514 0.8072 1.2601 0.9984 0.2777 0.6502 0.3502 0.4437 0.3204 1.1320 0.8892 0.7263 0.5571 1.2985 1.1018 0.6577 0.8279 1.2386 3.4264 1.3407 1.6609
10-Undecenoic acid 10-Hendecenoic acid 4.6417 1.9990 5.1908 2.1813 2.3179 3.5927 2.0634 1.0248 3.6893 0.8315 1.9919 3.6789 2.3957 2.9418 3.7662 1.9831 0.5151 4.0051 4.0349 2.0901 7.1655 10.4365 4.3153 4.5219
11-Aminoundecanoic acid 11-Aminoundecanoic acid 1.7510 1.5567 2.1430 2.0264 2.0859 2.0449 1.6567 1.3099 1.9356 1.2702 3.1303 1.7297 1.7404 1.6065 1.6191 1.9869 1.5876 1.8185 1.8769 2.0037 1.2858 1.4832 1.7056 1.9573
11-cis-Retinol 11-cis-Retinol 5.0336 0.5366 3.1276 0.4223 2.9310 1.8383 2.8241 1.6254 1.3411 0.1019 0.3442 0.1503 2.7208 2.9923 2.4042 4.4769 1.4620 1.4906 2.4172 3.4634 1.3016 6.2106 2.8703 2.2355
11-Nitro-1-undecene 2.6339 1.4593 1.7557 1.4946 3.0650 1.4958 2.0549 2.1502 2.2022 2.2795 1.1048 2.2900 1.5275 1.9104 2.0164 1.6371 1.0258 2.9140 6.0202 3.8689 3.3019 1.5897 1.8720 1.4808
1-(1Z_9Z-octadecadienyl)-2-(4Z_7Z_10Z_13Z_16Z_19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 2.8121 1.0491 2.1469 0.0865 1.3209 1.3612 5.2827 1.9585 1.6815 0.0632 0.2621 0.0668 3.5934 2.7173 2.5347 7.4612 1.8786 1.4411 3.3075 4.4009 2.5574 8.4056 2.9545 2.5432
1_2-Dideoxy-3-C-methyl-1-(2_5_5_8a-tetramethyl-1_4_4a_5_6_7_8_8a-octahydro-1-naphthalenyl)pentitol 1.5894 0.1392 1.1577 0.2091 1.5922 0.5747 1.2574 1.5711 0.7314 0.0985 0.1118 0.1480 1.4486 1.0627 1.2887 1.1878 0.5988 0.1938 1.4543 2.1533 0.6120 2.7785 1.8132 1.5019
1-(3_4-dimethoxylphenyl)ethane-1_2-diol 4.4984 3.5311 4.8999 3.6740 5.3941 4.3966 5.4584 3.6322 5.0560 2.7053 3.1035 3.3953 3.8869 5.2970 4.2486 5.8752 4.8688 4.4621 4.1482 5.2544 6.1037 7.5477 4.7559 5.1579
1_3_5-trimethoxybenzene 1,3,5-Trimethoxybenzene 11.7797 11.7936 29.4723 13.8789 14.2566 34.6371 13.0962 8.3973 10.5958 9.5136 12.9496 2.8131 18.7002 21.5955 10.6068 10.8920 33.5977 31.6243 11.7698 14.1027 47.5206 106.2411 15.9823 46.2333
1_3_7-Octanetriol 1,3,7-Octanetriol 102.4888 114.5412 108.0904 113.9491 125.9657 104.3957 132.4013 108.3946 129.6895 90.7817 100.7526 113.4026 96.7948 116.9180 96.2833 110.9523 116.0843 115.7402 99.3376 127.6005 154.2717 133.1149 106.8760 108.1419
1_3-Bis[(9Z_12Z)-9_12-octadecadienoyloxy]-2-propanyl (6Z_9Z_12Z)-6_9_12-octadecatrienoate 0.0014 0.0028 0.0021 0.0021 0.0015 0.0012 0.0015 0.0015 0.0027 0.0013 0.0024 0.0029 0.0085 0.0025 0.0014 0.0029 0.0018 0.0025 0.0009 0.0022 0.0017 0.0022 0.0026 0.0017
1_3-Bis(tetradecanoyloxy)-2-propanyl (4Z_7Z_10Z_13Z_16Z)-4_7_10_13_16-docosapentaenoate 0.0007 0.0007 0.0043 0.0008 0.0009 0.0009 0.0009 0.0006 0.0008 0.0006 0.0008 0.0009 0.0021 0.0007 0.0007 0.0010 0.0008 0.0014 0.0008 0.0007 0.0011 0.0012 0.0009 0.0009
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranose 0.4107 0.0749 0.0557 7.3931 0.0579 0.0657 0.0414 0.0452 0.0401 0.0344 0.0451 0.0198 0.1907 0.1696 0.1003 0.0802 0.0553 0.0795 0.0695 0.0777 0.0442 0.1533 2.6300 0.8556
13(S)-HOTrE 13S-HOTrE 10.3639 2.4031 8.9986 2.2194 7.1411 5.7947 4.9919 1.8300 1.4734 0.8057 1.5343 0.7993 5.3031 11.8846 15.4870 24.4028 15.6857 5.6839 8.8202 17.8228 4.3635 13.9396 7.5760 12.3141
1_4-Anhydro-6-O-dodecanoyl-2_3-bis-O-(2-hydroxyethyl)-D-glucitol 13.5989 16.2226 9.3051 6.2965 15.4391 95.8092 1.6942 13.4297 15.2771 10.5990 8.8888 2.4138 139.1149 22.8797 7.9351 3.0974 29.8520 9.1694 14.1242 53.7984 59.2445 1.9729 9.8197 12.9724
1_4-Diaminobutane;Putrescine 0.2523 0.2115 0.2167 0.1239 0.2130 0.1852 0.2252 0.1433 0.2464 0.1608 0.1298 0.2004 0.2388 0.1567 0.1147 0.2411 0.1691 0.3154 0.2901 0.1884 0.2783 0.2819 0.2160 0.1780
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-2-pentanone 0.2268 0.3738 0.4637 0.2030 0.2927 0.7664 0.4196 0.1313 0.4172 0.1700 0.3139 0.2506 0.6478 0.2399 0.5007 0.3853 0.6572 0.9877 0.3030 0.4764 1.0726 2.3547 0.3321 1.1972
1_5-Anhydro-D-mannitol 1,5-Anhydro-mannitol 0.0354 0.0360 0.0275 0.0334 0.0341 0.0284 0.0148 0.0187 0.0212 0.0297 0.0519 0.0370 0.0297 0.0310 0.0385 0.0329 0.0347 0.0266 0.0187 0.0212 0.0199 0.0205 0.0257 0.0220
15-Keto prostaglandin F2α 15-Keto-PGF2alpha 2.8202 2.9820 1.6563 2.0182 4.5852 4.0266 4.1436 0.6955 2.1075 1.5350 0.6214 1.3145 7.4233 11.2893 8.6784 7.4244 0.8820 7.7772 9.8600 7.3064 3.6126 7.8457 7.6388 6.4460
(15R_21S)-18_21_22-Trihydroxy-3-methyl-18-oxido-12-oxo-13_17_19-trioxa-18lambda5-phosphadocosan-15-yl 22-methyltricosanoate 0.0028 0.0002 0.0015 0.0003 0.0012 0.0008 0.0009 0.0005 0.0005 0.0002 0.0002 0.0001 0.0048 0.0034 0.0033 0.0051 0.0016 0.0011 0.0036 0.0044 0.0007 0.0061 0.0024 0.0037
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one 6.0867 0.5569 8.7836 5.7739 4.2629 10.8077 7.2329 2.8829 3.3995 1.0504 4.8569 1.0371 1.7186 7.7880 5.9790 7.3836 9.9916 13.0176 2.0608 8.0065 14.4812 29.3223 2.2121 13.9679
16-Heptadecyne-1_2_4-triol 1.0054 0.6358 0.8480 0.6848 0.7776 0.8126 0.4755 0.5597 0.4391 0.2228 0.3308 0.1867 0.8185 0.7963 0.5768 0.9149 0.6317 1.0221 0.6495 0.6304 1.2178 2.3844 0.6754 1.4948
1_7-Dihydroxy-6_6-dimethyl-3_5_5a_6_7_8_9a_9b-octahydronaphtho[1_2-c]furan-9(1H)-one 2.9849 2.4779 4.3197 0.9233 2.0918 5.1662 2.8934 2.3442 2.8442 0.6570 2.7166 2.5807 4.2321 4.1022 2.8449 1.9460 4.8239 5.6558 3.1418 0.7177 6.4026 16.5111 2.4838 6.2771
1_8-Diazacyclotetradecane-2_9-dione 1,8-Diazacyclotetradecane-2,9-dione 137.5205 145.5591 320.9894 147.0670 306.7316 662.9251 224.1989 126.3752 134.4101 112.1599 105.5316 142.1959 434.0056 323.6601 144.9033 143.5112 466.3155 596.3541 126.1935 184.0700 913.6502 1947.4205 169.2613 775.7401
1-Amino-1-deoxy-scyllo-inositol 0.0017 0.0003 0.0002 0.0368 0.0001 0.0002 0.0005 0.0003 0.0002 0.0002 0.0005 0.0003 0.0005 0.0005 0.0004 0.0002 0.0002 0.0036 0.0005 0.0004 0.0005 0.0003 0.0087 0.0012
1-Amino-1-deoxy-scyllo-inositol4-phosphate 0.0015 0.0008 0.0010 0.0013 0.0020 0.0007 0.0012 0.0005 0.0007 0.0005 0.0010 0.0004 0.0016 0.0023 0.0019 0.0028 0.0017 0.0011 0.0016 0.0008 0.0009 0.0016 0.0019 0.0017
1-Aminocyclopropane-1-carboxylate 1-Aminocyclopropanecarboxylic acid 5.4013 4.0486 2.6627 2.7926 2.5114 2.3515 2.1864 1.3619 1.0013 1.3224 2.2328 0.5522 2.9310 3.2718 1.2230 2.4746 1.4595 1.5404 1.5178 1.1189 0.5752 1.4032 1.2607 0.6698
1-(beta-D-Ribofuranosyl)-1_2-dihydropyrimidine 0.7701 0.3233 0.2108 0.3102 0.2452 0.1980 0.1716 0.0879 0.0592 0.0683 0.1396 0.0193 0.8110 0.8010 0.3655 1.2776 0.6170 0.2959 0.2096 0.1899 0.0674 0.1547 0.1685 0.0882
1-Cyclohexenecarboxylic Acid Cyclohex-1-enecarboxylic acid 0.0002 0.0003 0.0018 0.0021 0.0004 0.0007 0.0011 0.0017 0.0012 0.0005 0.0009 0.0087 0.0014 0.0010 0.0018 0.0019 0.0020 0.0026 0.0009 0.0010 0.0015 0.0157 0.0020 0.0015
1-Deoxy-D-altro-heptulose7-phosphate 1-Deoxy-D-altro-heptulose 7-phosphate 10.8215 9.0172 6.1571 6.8553 6.1637 5.8446 5.1927 3.0530 2.4839 3.5079 5.5399 1.4447 15.5116 17.4199 5.9193 11.2964 6.0479 5.3767 6.4625 5.6095 3.0548 6.2616 5.7821 3.2945
1-deoxynojirimycin 0.4094 0.2592 0.2001 2.5608 0.2058 0.1423 0.1661 0.1356 0.0990 0.1132 0.1862 0.1259 0.1835 0.2798 0.1420 0.1940 0.1275 0.1600 0.1880 0.1028 0.1043 0.1445 0.8187 0.3882
1-heptadecanoyl-sn-glycero-3-phosphocholine LPC 17:0/0:0 0.0075 0.0002 0.0020 0.0020 0.0051 0.0012 0.0006 0.0005 0.0004 0.0213 0.0004 0.0002 0.0018 0.0006 0.0024 0.0027 0.0011 0.0033 0.0006 0.0007 0.0008 0.0040 0.0007 0.0013
1-hexadecanoyl-2-[(11Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1^-sn-glycerol) 7.6264 1.5213 5.2164 0.4325 4.0593 2.6775 4.1114 3.2372 2.7250 0.0602 0.5319 0.0684 3.3166 3.5122 3.1400 6.2990 1.5475 1.4311 3.5937 5.4808 2.3139 9.8061 4.4255 2.8529
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine PC 16:0/18:0 0.0055 0.0003 0.0072 0.0002 0.0050 0.0019 0.0050 0.0037 0.0019 0.0002 0.0011 0.0001 0.0087 0.0029 0.0027 0.0058 0.0009 0.0009 0.0042 0.0044 0.0042 0.0291 0.0017 0.0056
1-icosanoyl-sn-glycero-3-phosphocholine LPC 20:0/0:0 0.0086 0.0002 0.0020 0.0002 0.0034 0.0014 0.0013 0.0013 0.0006 0.0002 0.0002 0.0001 0.0041 0.0041 0.0036 0.0036 0.0008 0.0006 0.0017 0.0053 0.0008 0.0109 0.0012 0.0028
1-Methyladenosine 1-Methyladenosine 0.2254 0.1361 0.1079 0.1589 0.1057 0.0972 0.1162 0.0719 0.0651 0.0823 0.1063 0.0375 0.3580 0.3162 0.1671 0.2354 0.1912 0.1764 0.2124 0.1685 0.1077 0.2484 0.1739 0.1298
1-Nitrosopiperidine 0.0191 0.0208 0.0126 0.0235 0.0194 0.0134 0.0144 0.0068 0.0084 0.0083 0.0245 0.0092 0.0116 0.0133 0.0145 0.0228 0.0110 0.0124 0.0120 0.0115 0.0092 0.0143 0.0154 0.0106
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol) PG 18:0_18:1 5.7227 1.0604 3.1433 0.2767 4.3656 2.3662 3.8474 3.5112 2.2356 0.0810 0.3329 0.0881 2.7187 2.9868 2.8249 6.5287 1.5223 1.2466 3.0208 4.0835 2.3421 12.1730 2.5972 2.4820
1-Oleoyl-2-Stearoyl-sn-Glycero-3-Phosphocholine 0.5665 0.0480 0.5334 0.0254 0.4489 0.2116 0.3630 0.2701 0.1619 0.0014 0.0596 0.0009 0.1215 0.3319 0.3284 0.6266 0.1514 0.1330 0.4013 0.4426 0.2390 1.4886 0.2878 0.3849
1-Oleoylglycerophosphocholine LPC 18:1/0:0 0.2734 0.0070 0.0898 0.0110 0.0782 0.0249 0.0403 0.0920 0.0136 0.0004 0.0079 0.0002 0.2380 0.2046 0.0842 0.2495 0.0365 0.0247 0.0772 0.1008 0.0277 0.2374 0.0683 0.0477
1-Oleoyl-rac-glycerol LPC 18:1 1.5895 0.1096 1.1578 0.2092 1.5926 0.5748 1.2573 1.5709 0.7313 0.0759 0.0862 0.1141 1.4800 1.0627 1.2889 1.1878 0.5989 0.1938 1.4541 2.1529 0.6120 2.7786 1.8131 1.5021
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine PC 16:0/22:6 0.1396 0.0248 0.0833 0.0049 0.0716 0.0610 0.0586 0.0654 0.0335 0.0002 0.0021 0.0001 0.4552 0.1944 0.0205 0.1237 0.0497 0.0082 0.0617 0.0953 0.0079 0.1913 0.0625 0.0909
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine PC 16:0/18:1 1.8816 0.1597 1.4714 0.0882 1.0541 0.5810 0.8367 0.6136 0.4143 0.0052 0.1146 0.0035 1.7016 0.9879 0.8212 1.7361 0.5257 0.3264 1.0591 1.2305 0.4301 2.8682 0.8165 0.9277
1-Palmitoyl-2-oleoyl-sn-glycerol 16.1215 1.5286 10.5834 0.8058 9.0194 5.0639 10.4888 5.0713 3.6839 0.0312 0.6567 0.0368 5.1121 5.4979 4.7593 10.8654 2.1597 2.0201 6.4096 7.4567 3.8638 18.9488 4.8134 4.3366
1-Palmitoylglycerophosphocholine LPC 16:0/0:0 0.3862 0.0128 0.1264 0.0217 0.1173 0.0469 0.0819 0.0855 0.0221 0.0011 0.0118 0.0003 0.7734 0.3117 0.1267 0.4271 0.0934 0.0243 0.1711 0.1949 0.0451 0.7501 0.1864 0.1054
1-Phenyl-2-hexanone 1.7589 1.8045 2.9139 1.6317 2.0789 3.7200 2.2701 1.1861 2.7610 1.3855 0.3772 0.5649 1.7534 1.7068 1.4591 2.6046 2.9843 4.6988 1.9239 2.3358 4.6160 12.5241 1.7203 5.2580
1-Pyrroline-4-hydroxy-2-carboxylate 1-Pyrroline-4-hydroxy-2-carboxylate 1.0910 1.0764 0.6586 0.7991 0.1554 0.7245 0.6300 0.4284 0.4150 0.3902 0.6883 0.1851 0.3694 0.5692 0.1671 0.3141 0.1670 0.2620 0.1592 0.1308 0.1719 0.3150 0.3711 0.1583
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate 9.9657 13.0622 10.4468 12.5915 9.3697 9.6002 11.5738 7.9884 10.3720 9.9833 11.8989 12.4349 7.1300 11.5448 8.3376 8.4997 10.8679 11.6467 8.6759 11.4959 11.7449 9.6933 12.0212 7.3003
1-Stearoyl-2-hydroxy-sn-glycero-3-PE LPE 18:0/0:0 0.0074 0.0004 0.0034 0.0004 0.0055 0.0016 0.0020 0.0017 0.0009 0.0001 0.0002 0 0.0150 0.0074 0.0060 0.0115 0.0034 0.0018 0.0044 0.0055 0.0022 0.0239 0.0045 0.0039
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion PE 18:0/18:1 0.0089 0.0005 0.0073 0.0003 0.0043 0.0033 0.0031 0.0024 0.0004 0.0001 0.0002 0.0001 0.0168 0.0092 0.0083 0.0119 0.0036 0.0028 0.0065 0.0083 0.0021 0.0136 0.0068 0.0062
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoserine PS 18:0/18:1 0.0404 0.0025 0.0343 0.0018 0.0221 0.0130 0.0200 0.0174 0.0069 0.0006 0.0010 0.0004 0.0400 0.0231 0.0196 0.0461 0.0099 0.0030 0.0197 0.0230 0.0123 0.1201 0.0152 0.0196
2-(1-benzofuran-2-yl)-4H-chromen-4-one 1.0460 0.8125 0.6866 0.7308 0.6211 0.4989 0.5630 0.3602 0.3378 0.4682 0.5660 0.1346 0.8276 1.1244 0.5616 1.0802 0.6809 0.7341 0.6459 0.5871 0.3238 0.6343 0.5335 0.3645
2-(1-Chloro-2-hydroxy-2-propanyl)-5-hydroxy-11-methyl-1_11-dihydrofuro[2_3-c]acridin-6(2H)-one 0.0190 0.0339 0.0212 0.0175 0.0210 0.0219 0.0345 0.0257 0.0245 0.0179 0.0283 0.0165 0.0225 0.0293 0.0186 0.0214 0.0451 0.0209 0.0466 0.0333 0.0554 0.0356 0.0171 0.0349
2_2^-[1_2-Propanediylbis(oxy)]diethanol 6.8690 8.3932 9.1094 8.2494 8.4480 7.1539 10.0346 9.2168 11.0916 5.9198 6.9462 8.7508 7.8230 8.4935 9.2914 9.4452 7.5284 7.5873 10.1929 10.2633 10.1854 14.2126 7.9260 7.6017
2-({2-[(1_3-Dimethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}sulfanyl)acetic acid 2.9640 1.5453 1.3902 1.2802 1.2767 1.6785 0.9953 0.5724 0.4785 0.6911 1.8465 0.3011 6.2205 5.9381 2.2120 4.4608 3.2619 2.5740 2.8318 2.3561 1.1222 4.1090 2.5874 2.1135
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid 0.0488 0.0416 0.0280 0.0272 0.0289 0.0215 0.0370 0.0265 0.0182 0.0244 0.0398 0.0048 0.0442 0.0732 0.0346 0.0400 0.0345 0.0442 0.0400 0.0338 0.0211 0.0363 0.0260 0.0175
2-(2-Carboxyethyl)-4-methyl-5-pentyl-3-furoic acid 1.1720 1.1485 3.2113 1.1244 1.0591 3.5263 4.2207 2.1014 1.3308 1.0190 0.9919 0.8120 1.4425 1.3527 0.9689 1.0059 3.6906 3.7215 1.9112 2.0253 5.1486 8.9362 2.6129 4.4293
2_2^-Iminodipropan-1-ol 0.0043 0.0032 0.0036 0.0122 0.0033 0.0037 0.0030 0.0262 0.0179 0.0267 0.0314 0.0226 0.0054 0.0039 0.0057 0.0030 0.0057 0.0039 0.0315 0.0398 0.0218 0.0045 0.0059 0.0324
2_2^-Iminodipropanoate 1.2849 0.9337 0.6362 1.2231 0.6031 0.6325 0.5522 0.3015 0.2826 0.3112 0.5404 0.1395 0.9610 0.9128 0.5786 0.9518 0.6779 0.5918 0.5999 0.4564 0.2790 0.6290 0.5960 0.2733
2_3_5-Trihydroxytoluene 2,3,5-Trihydroxytoluene 0.9104 0.1795 1.0556 0.4424 0.4315 1.0925 0.3526 0.4384 0.3529 0.1928 0.4212 0.2954 0.5457 0.5983 0.4762 0.6608 1.1078 1.2414 0.3810 0.3138 0.9446 1.6880 0.7098 2.0412
2_3-Dimethylmaleate Dimethyl maleate 1.4565 1.0358 0.7906 0.8295 0.6789 0.7001 0.5479 0.3593 0.3127 0.4294 0.6025 0.0960 2.2434 1.9813 0.4716 1.2953 0.8621 0.5226 0.7561 0.4153 0.2370 0.8365 0.4301 0.2980
2_3-Dimethylquinoxaline 0.0155 0.0129 0.0122 0.0107 0.0093 0.0104 0.0082 0.0038 0.0024 0.0093 0.0129 0.0039 0.0255 0.0304 0.0113 0.0183 0.0124 0.0126 0.0194 0.0147 0.0068 0.0156 0.0164 0.0122
2_3-Dinor-6-keto-PGF1? 0.4860 0.2616 1.0388 0.4663 0.4047 0.7928 0.4011 0.4900 0.2956 0.3023 0.3243 0.2639 0.4216 0.3498 0.4017 0.4973 0.8383 0.8279 0.4382 0.6592 0.6576 1.8965 0.5730 0.9812
2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1-methyl-1H-imidazol-5-yl)-1_3_4-oxadiazole 211.9609 159.7115 283.4525 221.8414 281.8350 192.7556 321.2563 155.7660 231.5666 151.2479 196.8848 228.0915 209.4941 305.2497 232.7685 273.9138 224.0746 220.1984 236.2124 435.9414 248.2932 181.9475 292.2607 247.6107
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1_3-propanediol 2.8966 1.3540 4.8501 1.1251 2.5449 4.2677 3.2270 1.2736 1.6222 1.4292 2.6886 1.3018 1.3338 1.2263 1.1049 2.1899 4.7710 4.1254 2.3438 1.3964 4.9100 11.2126 3.5320 5.2588
2_4_5-Trimethyl-1_3-thiazole 4.7242 4.8151 6.4133 4.4586 6.2373 4.6194 7.2171 5.7412 6.4753 3.6401 3.6869 8.1142 4.6876 6.6665 5.1591 6.3205 5.1104 5.2016 5.4659 7.7705 7.3784 4.8450 7.0797 6.8983
2-(4-chlorophenyl)-4-(methylthio)-6-(2-thienyl)pyrimidine 0.8416 0.8654 0.7632 0.8171 0.8002 0.7228 0.6797 0.5324 0.5726 0.6195 0.7941 0.4380 0.8399 0.9451 0.6857 0.7432 0.7293 0.7697 0.8008 0.7543 0.6476 0.9981 0.7984 0.7026
2_4-Diacetamido-2_4_6-trideoxy-alpha-D-mannopyranose 2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose 0.0224 0.0109 0.0097 0.0287 0.0196 0.0064 0.0086 0.0017 0.0041 0.0024 0.0095 0.0026 0.0546 0.0469 0.0287 0.0410 0.0286 0.0361 0.0204 0.0141 0.0111 0.0124 0.0164 0.0126
2^_4^-Dihydroxyacetophenone 1.1038 0.3094 1.6956 0.9138 0.6438 1.8696 0.8618 0.4743 0.6413 1.4184 0.6821 0.3801 1.1192 0.8333 0.7000 0.8493 2.1152 1.4655 0.4368 0.8033 1.8339 4.3314 0.7908 2.6240
2_4-dihydroxyheptadec-16-ynyl acetate 1.0729 0.2952 1.2306 0.6999 1.0397 0.7058 0.4781 0.3471 0.2963 0.1501 0.2531 0.1147 0.9785 0.7080 1.9466 2.0790 1.8431 1.6870 0.9892 1.2395 0.9895 1.5470 1.5112 1.6997
2-(4-Hydroxyphenyl)ethanol(Tyrosol) Tyrosol 6.9032 6.5240 12.4909 7.2839 8.5245 23.2624 16.5185 6.2472 7.2175 4.9710 7.1721 4.8250 3.4700 11.8409 5.0264 7.3134 17.2923 21.6272 6.9689 6.0852 41.2128 77.0116 8.8511 32.1891
2-(4-Nonylphenoxy)ethanol 0.8280 0.3042 0.8669 0.7578 0.3846 0.8171 0.9992 0.4881 0.4039 0.2368 0.5095 0.3114 0.8864 0.5513 0.6707 0.8252 0.8663 0.7226 0.4002 0.8107 0.9534 2.2596 0.6734 1.1725
2_4-OCTADIENAL (E,E)-2,4-Octadienal 6.2228 5.0276 10.5738 8.0383 6.0342 15.1944 6.6929 6.0009 5.2513 3.9157 5.7067 7.3292 8.0094 7.9350 5.1675 7.8767 12.4423 16.6227 5.6657 6.5340 17.3284 58.0132 9.1656 18.0217
2_5_5_8a-Tetramethyl-3_5_6_8a-tetrahydro-2H-chromen-3-ol 4.5681 1.4433 5.2570 4.7682 5.2959 11.6333 3.8835 5.0627 4.4976 1.4156 1.5943 2.4502 2.7991 7.4562 3.0218 1.4550 9.6845 5.8800 4.1501 5.7127 17.9223 38.7774 6.0574 16.4901
2_5-Dihydroxybenzaldehyde Gentisate aldehyde 0.4551 0.4716 0.4916 0.6886 0.6257 0.5433 0.6915 0.4992 0.6516 0.3680 0.4561 0.7230 0.1394 0.4210 0.6676 0.4345 0.5549 0.4338 0.4366 0.6671 0.7012 0.5048 0.6098 0.5853
2_5-Dimethyl-4-ethoxy-3(2H)-furanone 5.0768 4.1684 7.8217 4.8255 5.7287 8.2721 5.4244 1.3282 4.6669 3.4772 4.1212 2.9709 5.1783 5.1743 4.2036 3.4487 8.3169 6.2510 3.8348 5.7423 11.9258 25.3320 5.1618 11.0156
2-[(5Z)-5-tetradecenyl]cyclobutanone 10.8844 1.3614 6.6240 1.2543 5.3352 2.4455 4.3010 6.9486 3.2465 0.0779 0.2094 0.2349 7.7463 6.7952 4.9106 5.2362 2.9485 1.5077 3.9691 8.3769 2.1486 6.7967 8.6503 4.1358
2_6-Diaminoheptanedioicacid 2,6-Diaminopimelic acid 0.7722 0.6875 0.4629 0.5790 0.8531 0.4785 0.3148 0.1992 0.0662 0.2131 0.4462 0.2839 0.8073 0.9122 0.6543 0.8556 0.7340 0.7590 0.6455 0.7515 0.4423 0.5477 0.6861 0.5398
2_6-Dimethoxy-4-propylphenol 5.4457 4.7426 8.6091 5.1283 5.7589 9.8540 5.4439 4.5235 4.6092 3.3993 4.4889 3.0610 8.7975 6.6023 4.4939 5.4459 10.4903 12.1205 5.3407 6.8998 12.2458 32.1658 5.7729 13.5312
(2_7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol 5.6662 5.1915 6.2766 6.4342 6.9093 9.7318 5.2325 4.4967 6.7745 9.0428 5.6658 7.5338 7.9312 7.3779 4.7603 4.6900 8.0212 9.0280 18.1072 8.4943 15.7037 22.6058 5.4220 11.6932
2-Acetyl-3a_4-dimethyl-1_3a_4_6_7_7a-hexahydro-5H-inden-5-one 1.3135 1.0752 2.6999 1.3116 2.0173 2.3024 1.4709 1.3036 1.0838 0.8505 1.1705 0.8989 1.6227 1.7187 1.2896 1.2860 2.9826 3.3957 1.2696 1.7025 2.6355 9.1660 1.8407 3.1656
2-(alpha-D-Galactosyl)-sn-glycerol3-phosphate 2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate 0.0082 0.0057 0.0048 0.0071 0.0062 0.0038 0.0049 0.0039 0.0032 0.0024 0.0045 0.0034 0.0143 0.0085 0.0061 0.0141 0.0121 0.0098 0.0053 0.0056 0.0044 0.0059 0.0058 0.0047
2-Arachidonoylglycerol MG 20:4 0.7680 0.0462 0.5147 0.0835 0.5795 0.3214 0.1958 0.2374 0.0846 0.0264 0.0365 0.0311 1.2392 1.4550 1.4539 1.6261 0.8175 0.5177 1.0902 1.9026 0.3438 2.6945 1.2799 0.8122
2-(carboxymethoxy)-4-methoxybenzoic acid 0.6032 0.6887 0.6207 0.6311 0.6348 0.5838 0.5522 0.4548 0.5331 0.5347 0.6481 0.5524 0.5167 0.6368 0.4883 0.4579 0.4539 0.5662 0.5187 0.5707 0.5673 0.6763 0.5509 0.5206
(2E)-2-[(Carboxymethyl)amino]-2-octenoic acid 2.9087 2.5274 2.2007 1.8741 1.2055 1.5643 1.5274 0.8126 0.9380 1.3376 1.4333 0.4463 9.2486 12.2229 2.8433 3.7262 1.9225 2.4414 3.0939 2.8165 1.5045 4.6752 2.9504 1.7990
2-(ethylthio)-6-methyl-5-(2-methylallyl)pyrimidin-4-ol 0.0725 0.0790 0.1060 0.1065 0.1120 0.1078 0.1172 0.1474 0.1961 0.1444 0.1287 0.2732 0.0707 0.0761 0.1068 0.0750 0.1013 0.1050 0.1181 0.1402 0.2139 0.1549 0.1286 0.1866
2-Fluoro-6-(4-methoxyphenoxy)benzonitrile 0.5990 0.2644 0.3090 0.2057 0.1998 0.1392 0.0502 0.0326 0.0410 0.0487 0.1375 0.0364 1.4507 1.3948 0.4484 1.0590 0.7259 0.5489 0.3680 0.4244 0.1967 0.9305 0.2549 0.3768
2-Hexenoylcarnitine CAR 6:1 0.0257 0.0268 0.0422 0.0371 0.0406 0.0355 0.0302 0.0227 0.0349 0.0191 0.0664 0.0282 0.0310 0.0288 0.0274 0.0290 0.0288 0.0323 0.0310 0.0336 0.0281 0.0259 0.0304 0.0386
2-hydroxycaproicacid 2-Hydroxyhexanoic acid 9.9889 11.9505 18.4989 17.5084 13.1996 14.3821 14.7630 14.2333 14.8112 13.2236 2.3201 13.1759 11.1456 17.9157 18.1643 20.8241 13.8260 12.8849 14.4873 18.8595 14.1156 2.8433 19.3684 12.2293
2-Hydroxyethyl 12-hydroxyoctadecanoate 2.0047 0.7247 1.9154 1.2494 1.3910 0.8732 1.5091 1.4397 1.0342 0.5507 0.5960 0.5611 2.1102 1.2546 1.4832 1.8407 1.2883 0.6808 1.3135 2.6488 1.0488 1.6649 2.3018 1.5596
2-(Hydroxymethyl)-1-methyl-3_4_5-piperidinetriol 0.0034 0.0024 0.0017 0.0029 0.0019 0.0024 0.0019 0.0016 0.0017 0.0026 0.0032 0.0028 0.0021 0.0023 0.0022 0.0020 0.0021 0.0023 0.0017 0.0016 0.0021 0.0023 0.0019 0.0020
2-Hydroxy-N-(2-hydroxyethyl)propionamide 0.0088 0.0080 0.0078 0.0086 0.0098 0.0089 0.0057 0.0042 0.0054 0.0069 0.0107 0.0079 0.0168 0.0221 0.0208 0.0200 0.0262 0.0205 0.0163 0.0191 0.0161 0.0219 0.0180 0.0158
2-Hydroxyphenethylamine 2-Hydroxyphenethylamine 11.2145 16.2289 8.9734 14.7213 11.8818 9.7894 9.1063 14.9401 15.4421 15.5956 19.6182 13.2354 6.1569 9.4269 8.8449 12.7689 6.2408 8.6437 17.0688 17.5435 13.0637 3.3759 13.1448 5.0325
2-Isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone 1.0372 0.9984 2.5672 2.9918 1.3681 2.9237 1.6483 0.6133 1.2164 0.8062 0.6528 0.7255 1.4999 1.4792 1.1626 1.5765 2.3526 2.6502 1.1824 1.6956 3.5842 8.9321 1.3430 4.3544
2-mercapto-4_6-dimethylnicotinonitrile 258.4202 361.0530 234.0781 254.2107 271.0775 173.1442 337.4820 224.5216 413.4165 266.0943 229.9227 292.8636 223.1501 404.6209 275.8093 408.6492 292.2640 206.6986 235.6625 233.3085 229.0120 179.4999 268.0896 222.5398
2-Mercaptoethanol Mercaptoethanol 36598.0056 30498.3166 44124.6546 36137.5392 42619.3939 31847.7444 49138.8280 34683.8731 43937.7364 26536.3367 29831.8152 37351.9659 35309.7008 39038.4815 25811.0975 39412.3569 38586.9719 37674.9570 37810.4313 53274.3264 47073.0292 61145.5366 40392.4665 38673.4427
2-methyl-2_3_4_5-tetrahydro-1_5-benzoxazepin-4-one 0.0113 0.0038 0.0059 0.0070 0.0024 0.0025 0.0022 0.0006 0.0021 0.0023 0.0027 0.0007 0.0862 0.0677 0.0011 0.0138 0.0100 0.0021 0.0165 0.0024 0.0016 0.0094 0.0045 0.0030
2-Methyl-4-ethyl-5-propylthiazole 0.0083 0.0098 0.0133 0.0220 0.0083 0.0160 0.0116 0.0216 0.0085 0.0100 0.0135 0.0145 0.0123 0.0115 0.0124 0.0132 0.0141 0.0118 0.0101 0.0090 0.0112 0.0116 0.0094 0.0131
2-Methyl-6-oxohepta-2_4-dienal 10.8934 8.3144 15.2331 10.3117 11.4574 21.6579 11.4971 6.8702 8.9125 5.2892 8.7842 7.2134 12.3962 14.3421 7.8747 11.6045 20.4784 19.4818 9.1636 10.9057 26.0652 71.8224 11.4859 33.0256
2-methylbutyrylcarnitine CAR 4:0;2Me 22.0025 20.2110 33.8111 27.6919 16.0118 21.1241 19.7296 13.4641 15.5017 17.9677 14.6992 3.7932 41.8302 39.0259 16.9625 44.5432 29.3525 19.8694 29.5551 29.7696 26.4046 77.2351 28.9452 33.7904
2-Methylcholine 2-Methylcholine 0.0324 0.0149 0.0217 0.4453 0.0124 0.0183 0.0140 0.0161 0.0110 0.0132 0.0196 0.0121 0.0134 0.0151 0.0149 0.0123 0.0139 0.0159 0.0099 0.0155 0.0104 0.0213 0.1455 0.0682
2-Methylfuran 2-Methylfuran 5.7145 3.0837 7.3037 5.3990 4.7938 7.9684 5.4700 4.7465 5.0597 3.9071 4.6177 4.3078 6.0014 0.6274 3.9737 5.2741 8.2520 9.4922 5.2671 7.0853 11.5566 28.8863 6.4440 11.3728
2-Methylnicotinamide 0.0053 0.0004 0.0104 0.0117 0.0112 0.0059 0.0129 0.0098 0.0107 0.0004 0.0005 0.0002 0.0034 0.0004 0.0136 0.0065 0.0109 0.0111 0.0020 0.0100 0.0045 0.0004 0.0077 0.0062
2-Methylserine 2-Methylserine 0.0059 0.0048 0.0057 0.0056 0.0066 0.0052 0.0038 0.0026 0.0034 0.0031 0.0072 0.0039 0.0125 0.0169 0.0209 0.0179 0.0309 0.0222 0.0195 0.0225 0.0157 0.0210 0.0204 0.0171
2-Methylthiazolidine 2-Methylthiazolidine 0.1184 0.0853 0.0903 0.0928 0.0838 0.0788 0.0675 0.0390 0.0268 0.0603 0.0744 0.0306 0.2649 0.3463 0.1525 0.1938 0.1571 0.1660 0.2152 0.1579 0.1055 0.1766 0.1651 0.1389
2-(Methylthio)ethanol 27.8285 28.1822 30.8377 25.0615 29.7571 25.6801 39.6613 29.8144 33.6449 20.0248 25.0307 30.1759 23.6749 27.6344 28.2453 29.8077 31.7039 28.3211 27.3821 40.1034 41.8370 41.9228 30.4548 30.5077
2-NP-AHD 0.0101 0.0107 0.0122 0.0084 0.0097 0.0114 0.0080 0.0044 0.0034 0.0054 0.0148 0.0069 0.0132 0.0160 0.0161 0.0127 0.0151 0.0144 0.0116 0.0111 0.0093 0.0164 0.0140 0.0139
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate 9.9845 8.1541 20.2273 12.4230 11.2838 1.1898 16.7229 12.1296 11.3449 10.3739 9.6423 10.2594 16.4875 16.5755 7.8694 11.3352 17.7492 23.1458 15.4102 16.9782 31.5749 92.5944 13.4550 29.1357
2-Oxooctadecanoicacid 2-Oxo-octadecanoic acid 0.7761 0.4980 1.4142 0.5086 1.3759 0.7194 1.2723 0.6685 0.3666 0.5098 0.4030 0.1883 1.6741 1.1877 0.8033 1.7228 0.8142 1.1144 0.9002 1.1958 0.9070 2.7997 1.6682 1.6636
2-Oxovalericacid 2-Oxovaleric acid 0.4078 0.2214 2.0005 0.3374 0.2597 0.9104 0.7048 0.2124 0.2818 0.2599 0.5990 0.2637 0.5829 0.3068 0.3169 0.2379 2.0608 0.9805 0.2754 0.4177 1.1267 2.0138 1.0101 1.1087
2-phenyl-4H-furo[2_3-h]chromen-4-one 1.4307 1.1198 0.9490 0.6828 0.7884 0.6711 0.7042 0.5315 0.5154 0.5832 0.7430 0.1765 1.2736 1.5131 0.7097 1.4112 0.8584 0.7262 0.9210 0.7438 0.4885 1.0464 0.6976 0.5003
2-Phenyl-4-pentenal 1.0535 0.9120 1.2880 0.8330 1.2896 0.9981 1.5638 0.8031 0.7522 0.4306 0.2593 0.8251 1.4440 1.5506 1.3595 0.3866 1.9884 2.6143 1.1037 1.6583 2.1142 4.3251 1.4942 1.3842
2-Phenylethanol 2-Phenylethanol 27.2826 19.9789 43.9545 23.4614 26.5495 59.8947 24.0427 18.0380 18.7467 16.2802 21.0695 13.8589 34.1224 35.5835 20.6317 26.9539 54.9653 51.8944 24.4262 29.9282 77.0520 214.6777 28.5578 83.6815
(2R)-1-[(5Z_8Z_11Z_14Z_17Z)-5_8_11_14_17-Icosapentaenoyloxy]-3-(octadecyloxy)-2-propanyl (4Z_7Z_10Z_13Z_16Z_19Z)-4_7_10_13_16_19-docosahexaenoate 0.0011 0.0005 0.0008 0.0008 0.0009 0.0008 0.0004 0.0007 0.0005 0.0007 0.0009 0.0004 0.0002 0.0002 0.0002 0.0002 0.0002 0.0002 0.0003 0.0002 0.0002 0.0003 0.0004 0.0002
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl (8Z_11Z_14Z_17Z)-8_11_14_17-icosatetraenoate 4.9648 0.4274 2.5742 0.1584 2.6392 1.5916 3.0648 2.9200 1.5645 0.1143 0.4203 0.1738 3.2698 2.5265 3.2704 4.5876 0.8380 1.0863 3.5253 2.8844 2.0659 16.4221 3.0170 3.1836
(2R)-3-(Icosanoyloxy)-2-[(9Z_12Z)-9_12-octadecadienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate 0.0316 0.0044 0.0233 0.0010 0.0191 0.0164 0.0205 0.0169 0.0092 0.0003 0.0025 0.0002 0.0179 0.0144 0.0140 0.0102 0.0059 0.0053 0.0067 0.0160 0.0100 0.0468 0.0147 0.0166
(2R_3S)-2_3-Dimethylmalate 0.0087 0.0081 0.0046 0.0056 0.0066 0.0044 0.0053 0.0024 0.0024 0.0029 0.0053 0.0020 0.0144 0.0239 0.0063 0.0107 0.0051 0.0033 0.0086 0.0049 0.0036 0.0136 0.0072 0.0026
(2R_4S)-2_4-Diaminopentanoate 0.1248 0.1056 0.0610 0.1211 0.0830 0.0640 0.0627 0.0205 0.0181 0.0388 0.0677 0.0088 0.1741 0.2567 0.0703 0.1432 0.1073 0.0830 0.0936 0.0605 0.0367 0.0630 0.0950 0.0467
(2S)-2-Amino-8-hydroxyoctanoic acid 0.0046 0.0038 0.0047 0.0042 0.0056 0.0045 0.0057 0.0049 0.0062 0.0059 0.0094 0.0041 0.0050 0.0062 0.0038 0.0057 0.0043 0.0042 0.0082 0.0072 0.0055 0.0095 0.0072 0.0057
(2S)-2-Piperazinecarboxylic acid 0.0783 0.0577 0.0373 0.0747 0.0816 0.0589 0.0409 0.0395 0.0192 0.0494 0.0642 0.0206 0.1919 0.2240 0.1066 0.1400 0.1436 0.1146 0.1329 0.0797 0.0590 0.1219 0.1007 0.0890
3-(3_4-Dihydroxypyridin-1-yl)-L-alanine 1.6472 1.4043 0.9199 0.9567 0.6827 0.7434 0.6730 0.3649 0.1767 0.3876 0.6358 0.0112 0.9636 1.6131 0.5528 1.5315 0.7628 0.8770 0.6053 0.4293 0.0975 0.3559 0.2949 0.1460
3-[(3-Hydroxydecanoyl)oxy]-4-(trimethylammonio)butanoate 0.0023 0.0016 0.0024 0.0016 0.0006 0.0008 0.0009 0.0006 0.0007 0.0013 0.0019 0.0002 0.0048 0.0045 0.0010 0.0027 0.0010 0.0007 0.0022 0.0017 0.0010 0.0024 0.0014 0.0013
3-[(3-Hydroxyheptanoyl)oxy]-4-(trimethylammonio)butanoate 2.3834 0.5894 1.2670 0.9569 0.6830 4.2059 0.9282 0.4577 0.5200 0.3417 0.5295 0.4520 1.0324 1.4519 1.0071 1.2643 1.9746 3.0558 1.2970 1.2276 4.6891 13.8527 0.9175 5.3089
3_4_3^-Tri-O-methylellagic acid 0.0088 0.0071 0.0117 0.0040 0.0103 0.0048 0.0133 0.0137 0.0046 0.0023 0.0103 0.0129 0.0095 0.0075 0.0059 0.0062 0.0112 0.0096 0.0095 0.0101 0.0133 0.0173 0.0107 0.0155
3_4_5-trimethoxyhydrocinnamic acid 0.4951 0.5385 1.7279 0.5699 0.6371 1.2732 1.1193 0.6759 1.3544 0.4740 0.5437 0.3836 0.6798 0.7938 0.6022 0.3735 2.4237 1.4216 0.4556 0.6355 1.9174 4.2656 1.0093 1.9813
3_4-Diaminopyridine 1.7044 0.9688 1.1563 0.9717 1.0442 0.7033 0.9751 0.6884 0.6672 0.7810 0.9480 0.6347 2.5905 3.5385 1.2490 2.0230 1.5644 1.5172 1.7524 1.4027 0.9899 1.8051 1.5936 0.7878
3_4-Dihydrocadalene 3,4-Dihydrocadalene 0.1721 0.0842 0.1211 0.1537 0.1163 0.0876 0.1190 0.1042 0.1222 0.0793 0.0878 0.0878 0.3945 0.2686 0.1125 0.1199 0.1515 3.7444 0.1546 0.2018 0.1996 0.7204 0.0945 0.2940
3_4-Dihydroxy-12_13-epoxytrichothec-9-en-15-yl acetate 0.9977 0.2739 1.0700 0.7021 0.7555 0.5676 0.6900 0.4853 0.3230 0.5246 0.3493 0.5404 0.4426 0.5902 0.6556 0.4630 1.0304 1.3336 0.6885 1.0684 0.5942 1.2439 0.5523 1.5278
3_4-Dimethyl-5-pentyl-2-furanpropanoic acid 2.7402 1.7619 3.1311 2.0506 2.2176 5.3469 2.0471 1.9137 1.5004 1.6334 1.4347 1.1816 3.5992 3.3377 1.8953 2.1456 3.8102 4.8862 2.0425 2.7562 7.1789 19.9322 2.2341 7.6167
3_4-Methylenesebacic acid 3.8201 3.6444 10.4940 8.8631 5.5328 14.5459 6.9015 3.0400 3.0968 1.2317 4.3939 2.8623 6.5736 5.5481 4.4422 3.7274 10.7409 12.8055 3.9648 5.7178 17.4118 44.7459 8.3607 16.6619
3-{5-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N_N_N-trimethyl-1-propanaminium 0.1746 0.0472 0.1240 0.0627 0.2470 0.1182 0.1188 68.2198 32.1609 0.3069 2.4878 0.2449 0.1660 0.1125 0.2028 0.1671 0.0936 0.0552 43.7217 83.9991 25.1952 0.1413 0.2474 0.1822
3_5-Dimethyl-1-phenylpyrazole 84.2780 68.8990 81.2647 65.4862 80.0663 48.6435 70.7439 64.2932 101.6113 53.0218 61.8072 60.4876 68.8580 64.7410 60.2637 116.0924 65.6073 64.7195 91.3943 187.3588 148.7002 195.5963 84.8426 69.9061
3_6_9_12-tetraoxatridecan-1-ol 9.6644 6.8801 10.4734 5.4779 12.9961 9.1544 8.6136 7.6759 15.9248 7.3015 10.5876 8.1892 7.3966 7.7732 5.9406 9.4270 4.6019 6.0084 8.4323 11.1885 7.7384 9.1250 14.2537 7.0947
3alpha_11beta-Dihydroxy-5alpha-androstane-17-one 0.6267 0.2731 0.6643 0.5417 0.5524 0.5698 0.6906 0.2318 0.2389 0.2853 0.3086 0.2270 0.6816 0.6086 0.4300 0.5372 0.6829 1.0292 0.4554 0.7048 0.4844 1.2332 0.7427 0.7478
3-BHA 6.0669 4.7264 7.7861 5.8434 5.8681 11.5437 4.6037 4.4135 5.0517 3.6491 5.1856 4.1169 6.5147 7.2730 4.9814 5.8684 9.7340 10.7911 5.3704 7.0883 15.8304 37.0677 6.5679 15.2571
3-Butyn-1-al 3-Butyn-1-al 0.2167 0.1827 0.2654 0.1893 0.2236 0.3078 0.5038 0.2170 0.2254 0.1872 0.2231 0.2176 0.2142 0.2352 0.2194 0.2470 0.4730 0.4952 0.4413 0.3512 0.6549 0.7239 0.2162 0.5581
3-Dehydrocarnitine 3-Dehydrocarnitine 0.1234 0.1444 0.1685 0.8399 0.0783 0.1123 0.1364 0.1332 0.1320 0.1128 0.1214 0.1168 0.0984 0.1034 0.1281 0.0826 0.0938 0.1382 0.1897 0.2145 0.1548 0.2526 0.3582 0.2078
3-Dehydroxycarnitine 3-Dehydroxycarnitine 0.0475 0.0261 0.0415 0.0454 0.0433 0.0358 0.0241 0.0166 0.0320 0.0131 0.0314 0.0313 0.1337 0.1348 0.1039 0.1296 0.1799 0.1041 0.0847 0.1067 0.0681 0.1012 0.0803 0.0930
3-Deoxy-D-glycero-hexitol 0.0279 0.1170 0.0850 0.0994 0.0459 0.0923 0.0692 0.0843 0.1478 0.1970 0.2597 0.2337 0.0114 0.0416 0.0845 0.0366 0.0774 0.0987 0.0527 0.0372 0.0799 0.0185 0.0691 0.0528
3-Guanidinopropanoate 3-Guanidinopropanoic acid 12.4198 7.0465 6.0790 7.2888 4.8205 5.3787 3.0767 1.6817 1.8693 1.9313 5.1938 0.4104 29.0181 21.7270 3.9089 18.1740 4.2618 4.5399 2.9217 2.5659 2.0175 17.2597 5.8950 2.3856
3-Hydroxy-2-methyl-4-pyrone Maltol 0.0439 0.0662 0.0432 0.0648 0.0383 0.0511 0.0419 0.0328 0.0384 0.0594 0.1014 0.0579 0.0418 0.0602 0.0521 0.0390 0.0539 0.0573 0.0430 0.0395 0.0427 0.0473 0.0542 0.0370
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate 0.0392 0.0425 0.0491 0.0489 0.0283 0.0639 0.0284 0.0229 0.0232 0.0397 0.0683 0.0181 0.0720 0.0593 0.0375 0.0510 0.0554 0.0561 0.0364 0.0290 0.0511 0.1394 0.0326 0.0721
3-Hydroxycyclohexanone 15.0087 13.4675 27.3981 15.7385 23.1265 23.8064 18.3137 14.0024 14.1939 12.9210 12.7179 10.8890 16.0724 18.5844 16.4118 17.9889 24.5592 25.8591 14.7547 18.8101 29.5727 79.2182 19.1187 37.0551
3-Hydroxydetomidine 0.2971 0.2864 0.2818 0.3226 0.2571 0.2940 0.2773 0.1030 0.2689 0.2471 0.2590 0.2224 0.3419 0.4019 0.3098 0.3554 0.2733 0.2667 0.2933 0.2944 0.2361 0.2318 0.3343 0.2522
3-hydroxyoctanoylcarnitine CAR 8:0;3OH 0.6939 0.5252 0.8416 0.6385 0.7498 1.8362 0.9415 0.4499 0.5135 0.2732 0.2460 0.2253 0.6021 0.5784 0.5023 0.5073 1.3105 3.9359 0.2050 0.9365 2.3879 5.3403 0.5593 2.9042
3-(Isothiocyanatomethyl)-1H-indole 6.4067 5.4638 7.0278 6.0337 8.1539 3.9418 7.1550 4.8711 6.4175 4.1695 4.9696 5.2046 4.8735 6.5721 5.8160 8.3726 6.1717 5.4024 4.4367 10.1704 9.1007 4.4120 6.1593 5.1826
3-Mercapto-3-methylbutan-1-ol 0.4986 0.4681 0.4447 0.4124 0.4256 0.3704 0.4366 0.4271 0.4198 0.4052 0.6556 0.4440 0.7721 0.6182 0.4645 0.4940 0.4069 0.3738 0.4278 0.4292 0.3818 0.4939 0.4164 0.3527
3-Methoxy-4-hydroxyphenylethyleneglycol Vanylglycol 1.1127 0.2412 1.6814 0.9142 0.6489 1.8475 0.8670 0.3568 0.6427 0.3860 0.6865 0.3830 1.1222 0.8419 0.7025 0.8533 2.0933 1.4498 0.3764 0.8055 1.8374 4.3058 0.7949 2.6157
3-Methylbut-2-enal 3-Methyl-2-butenal 1.5045 1.3301 1.1236 0.3343 0.9878 1.5364 2.5859 0.8730 0.7142 0.7570 1.2229 0.9691 1.2244 1.2123 0.8838 2.2625 2.5195 3.3979 1.3932 1.4140 2.3433 4.9507 0.7802 1.9194
3-Methylcatechol;3-Methyl-1_2-benzenediol 4.1383 2.7624 5.9480 3.6700 3.8327 7.7344 4.0991 2.7314 2.8737 2.7945 2.1778 1.9755 3.4439 4.5910 3.5702 3.0123 6.8694 7.4134 2.3007 3.9182 11.0159 26.5185 4.1185 11.9045
3-Methylhistamine 3-Methylhistamine 2.3956 2.7831 3.6114 5.8713 3.3326 3.8778 3.0669 6.2023 2.2199 2.4326 3.7981 3.7588 3.2274 3.3021 3.2343 3.2224 3.6573 3.0803 2.6983 2.4913 3.0177 2.7105 2.3111 3.4840
3-O-(3_6-Anhydro-alpha-D-galactopyranosyl)-4-O-sulfo-alpha-D-galactopyranose 0.0240 0.0443 0.0459 0.0417 0.0438 0.0343 0.0278 0.0158 0.0268 0.0373 0.0337 0.0089 0.0274 0.0346 0.0185 0.0257 0.0187 0.0203 0.0173 0.0157 0.0139 0.0350 0.0184 0.0246
3-Oxododecanoicacid 3-Oxododecanoic acid 1.0612 0.9211 1.3076 1.2846 1.0841 2.9211 1.1728 0.7852 1.1290 0.9817 0.8772 0.9240 1.3460 1.2713 0.9031 1.0431 1.6315 5.2265 1.3287 1.2600 4.0973 7.7765 1.1593 3.0652
3-oxopalmitic acid 0.9949 0.5509 1.0971 0.8123 0.6700 1.0041 0.7409 1.0189 0.8149 0.4589 0.4176 0.6269 1.5028 0.8131 0.6248 0.8454 0.9378 1.1713 0.6150 1.0693 0.9167 2.1385 0.6848 1.2372
3-Oxotetradecanoic acid 3-Oxotetradecanoic acid 0.8977 0.3723 1.0936 0.7552 1.0939 0.7486 0.4845 0.5396 0.5797 0.3735 0.3939 0.4147 0.5663 1.0919 1.0102 0.2845 0.5763 0.6942 0.3283 0.7854 0.8423 1.7430 0.3292 0.8559
3-(Pyrazol-1-yl)-L-alanine 3-(Pyrazol-1-yl)-L-alanine 0.9773 0.4855 0.7256 0.7467 0.6596 0.6035 0.5506 0.2997 0.2309 0.4137 0.5187 0.2039 1.2443 1.7097 1.1460 1.1788 1.2162 1.0602 1.2085 0.9309 0.5090 1.0379 1.1056 0.7787
(3R)-beta-Leucine beta-Leucine 22.1933 15.2264 18.7356 15.6501 14.7468 12.5270 13.1909 8.4796 5.8859 12.1587 13.5846 4.6912 52.8983 64.5342 24.7938 34.4318 25.7876 27.2006 41.9578 28.9068 19.9890 40.5618 32.8365 23.7320
3-Ureidoisobutyrate Ureidoisobutyric acid 0.0015 0.0008 0.0006 0.0014 0.0017 0.0008 0.0005 0.0006 0.0008 0.0002 0.0007 0.0006 0.0027 0.0035 0.0024 0.0021 0.0038 0.0024 0.0016 0.0015 0.0008 0.0024 0.0028 0.0020
4a-Carbinolaminetetrahydrobiopterin 4a-Carbinolamine tetrahydrobiopterin 0.0217 0.0095 0.0066 0.0061 0.0036 0.0046 0.0026 0.0020 0.0020 0.0031 0.0021 0.0018 0.0585 0.0707 0.0108 0.0319 0.0168 0.0281 0.0365 0.0126 0.0038 0.0133 0.0120 0.0089
4-Acetamido-2-amino-6-nitrotoluene 1.9681 1.7542 2.7504 2.5168 2.4603 1.5871 2.2146 1.4444 2.2381 1.5478 1.4770 1.8964 1.8592 2.3773 1.7062 2.1220 2.5469 1.6633 1.7694 2.8143 2.8468 0.8579 2.6705 2.2986
(4-amino-1_2_5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime 11542.4700 9550.0459 11696.6225 8796.4129 11849.0110 8790.7953 12725.4079 10085.0065 12515.9369 7949.0666 8967.0479 8717.1200 9455.7161 13987.3303 9779.4593 12347.2192 9818.2910 8957.7042 8859.9295 15127.2538 10840.0778 10948.7236 14100.3922 10142.5146
4-Amino-4-deoxypentopyranose 0.1464 0.1223 0.1103 0.1050 0.1630 0.0618 0.0320 0.0315 0.0207 0.0282 0.0840 0.1369 0.2518 0.2663 0.1499 0.2825 0.2091 0.2161 0.1634 0.1783 0.0917 0.1317 0.1701 0.1329
4-Coumarylalcohol 4-Coumaryl alcohol 0.0131 0.0103 0.0110 0.0151 0.0118 0.0175 0.0087 0.0135 0.0095 0.0140 0.0130 0.0040 0.0135 0.0142 0.0140 0.0157 0.0193 0.0161 0.0144 0.0094 0.0148 0.0328 0.0093 0.0169
(4E)-2-Oxohexenoicacid 2-Oxo-4E-hexenoic acid 3.2079 1.1395 1.9370 1.5918 2.8086 2.5830 2.4913 2.5635 2.0999 0.9268 0.9083 0.8330 3.2725 2.9295 3.0627 4.6852 2.0396 1.2397 2.9311 3.7825 1.4776 4.4528 2.5346 3.0131
{4-Ethyl-6-[(3E)-2-ethyl-3-hexen-1-yl]-6-methyl-1_2-dioxan-3-yl}acetic acid 0.5258 0.4449 0.5233 0.5201 0.4314 0.8137 0.5713 0.2153 0.2937 0.1318 0.3028 0.2116 0.6881 0.4064 0.2822 0.6465 0.5341 0.6677 0.2013 0.1963 0.8143 1.7305 0.5145 0.8734
4-Guanidinobutanal 4-Guanidinobutanal 0.1492 0.1093 0.0077 0.0870 0.0934 0.0746 0.0702 0.0601 0.0131 0.0372 0.0584 0.0223 0.1700 0.2715 0.0754 0.1244 0.0936 0.0977 0.1152 0.0786 0.0074 0.0956 0.1110 0.0469
4-Guanidinobutanamide 4-Guanidinobutanamide 0.0007 0.0022 0.0036 0.0034 0.0020 0.0034 0.0024 0.0027 0.0008 0.0036 0.0054 0.0048 0.0019 0.0006 0.0010 0.0029 0.0007 0.0010 0.0025 0.0007 0.0031 0.0026 0.0032 0.0012
4-Guanidinobutanoate 4-Guanidinobutanoic acid 0.0125 0.0130 0.0073 0.0124 0.0068 0.0079 0.0081 0.0031 0.0037 0.0056 0.0089 0.0032 0.0079 0.0238 0.0091 0.0067 0.0036 0.0068 0.0100 0.0086 0.0061 0.0115 0.0062 0.0064
4-Guanidinobutyric acid 4-Guanidinobutanoic acid 2.9577 2.2274 1.4717 3.2539 1.7129 1.4533 1.6445 1.3032 1.0206 0.9233 1.7476 0.4395 1.6763 2.2517 1.3571 2.4272 1.7156 1.5183 1.8503 1.8837 1.0408 2.2493 2.1228 1.3466
4-(Heptyloxy)benzoic acid 3.2467 2.5442 0.0378 3.8416 3.9457 5.6422 2.7303 2.4097 1.8189 1.6516 1.3889 1.5496 4.7412 3.6357 2.7975 2.9239 6.2166 6.4683 3.7556 3.0181 8.1517 29.1778 4.2978 9.8101
4-Hydroxy-2-butynal 4-Hydroxybut-2-ynal 0.3433 0.2064 0.4421 0.2241 0.2304 0.8048 0.2598 0.2994 0.2540 0.1370 0.2714 0.1990 0.2777 0.4250 0.3392 0.4080 0.8191 0.8884 0.3189 0.3054 0.9711 2.3047 0.2319 0.5937
4-(β-D-Glucopyranosyloxy)-2_5-dimethyl-3(2H)-furanone 2.9163 2.6709 2.5161 2.7986 2.7157 2.2733 3.0527 2.0519 3.0483 1.8071 2.1801 2.1525 2.0196 3.1714 2.1288 2.4595 2.2511 2.4324 2.2169 2.5667 3.0131 1.2535 2.2267 1.7796
4-Indolecarbaldehyde Indole-4-carboxaldehyde 0.0070 0.0058 0.0035 0.0041 0.0038 0.0040 0.0026 0.0014 0.0006 0.0033 0.0045 0.0011 0.0122 0.0132 0.0037 0.0070 0.0046 0.0047 0.0074 0.0055 0.0019 0.0053 0.0058 0.0043
4-Methylene-L-glutamine 4-Methylene-glutamine 13.9517 9.5680 7.4682 6.6433 7.6121 5.7612 4.5113 2.2184 0.8505 2.6154 5.5344 0.3782 24.6464 32.1617 6.7094 16.9289 11.0527 8.8576 12.3344 4.8662 1.5052 6.1054 6.4972 2.7185
4-Octyl-1_3-cyclopentanedione 4.2782 1.9630 2.8487 3.9305 4.9050 3.9931 2.8000 4.0519 5.0265 5.6700 2.3938 3.4875 3.6466 0.4843 2.8921 2.4731 3.6800 6.4606 12.2278 6.0712 10.1158 9.5440 2.8259 5.3160
4-Octylphenol 4-Octylphenol 1.1686 0.9111 1.3560 0.9609 1.1232 1.7987 1.1983 0.7738 1.0596 0.6731 0.8116 0.9072 1.3524 1.3724 1.0563 0.9196 1.2262 1.7756 0.8276 1.3059 2.2484 5.3133 1.0016 2.2191
4-oxo-5-phenylpentanoic acid 21.4286 16.1740 11.2351 56.7204 9.3874 13.2912 13.6387 8.8511 16.4894 12.2780 13.9566 10.1684 17.7115 24.7067 17.4365 23.1200 18.1561 14.3697 13.6171 15.1120 10.7585 11.9619 21.4847 8.8912
4-Oxocyclohexanecarboxylate 0.4646 1.7049 2.8383 2.4027 1.2198 2.0964 2.1825 0.8980 1.0190 1.6278 1.2008 1.0221 1.6737 1.1625 1.1133 1.8417 2.4680 2.2915 1.0275 1.3627 2.7740 5.3386 2.7987 2.9270
4-Pentylaniline 0.5086 0.7540 1.5859 1.0386 0.7620 2.1102 0.5412 0.8905 0.9984 0.7288 0.7126 0.6313 0.9376 0.9005 1.2094 1.5376 2.0266 3.2635 1.8099 1.3411 2.7935 7.5238 1.1956 3.1794
(4R_5S_9S_10R_12S_13S)-1_5_9-Trimethyl-11_14_15_16-tetraoxatetracyclo[10.3.1.04_13.08_13]hexadecan-10-ol 1.6958 2.1138 4.4974 2.6860 1.9353 3.2071 3.7605 1.2494 1.5888 1.0359 2.5166 0.9613 2.6001 2.1582 1.5950 2.2896 4.1794 3.3958 1.4415 2.6584 3.6994 10.2798 2.0340 5.1409
(4S)-4-[(2E_4Z)-2_4-Decadienoyloxy]-4-(trimethylammonio)butanoate 0.2420 0.1776 0.4136 0.4561 0.3526 0.6579 0.2925 0.1706 0.2581 0.2786 0.2682 0.2047 0.2199 0.3825 0.2792 0.3895 0.2859 0.6864 0.2678 0.2836 0.6375 1.8272 0.3324 0.9456
4-(trifluoromethyl)nicotinic acid 5.9199 5.9195 5.3724 5.4946 5.5709 4.6801 4.6437 4.3133 4.1470 4.0963 4.9732 3.0274 4.3680 3.7965 2.6633 3.5545 2.9786 3.7454 2.3750 2.5978 2.1693 4.1718 2.9398 2.3688
4-Undecylbenzenesulfonic acid 1.1522 1.1967 1.3628 0.8381 1.2164 1.1843 0.6301 1.1190 0.4534 0.6047 1.0888 1.0825 1.3389 1.6404 1.3530 1.1534 1.3460 0.5864 0.5753 1.2087 0.5042 1.8266 0.4757 1.1749
(4Z_6E)-1_7-Diphenyl-4_6-heptadien-3-one 0.0009 0.0008 0.0007 0.0008 0.0008 0.0007 0.0006 0.0008 0.0008 0.0006 0.0010 0.0008 0.0043 0.0004 0.0008 0.0007 0.0028 0.0008 0.0007 0.0008 0.0006 0.0006 0.0007 0.0007
5_6-Bis(hydroxymethyl)-1_1_4a-trimethyl-1_2_3_4_4a_5_8_8a-octahydro-2-naphthalenol 1.6283 1.2308 2.2654 1.8271 1.5909 3.2595 1.0714 0.9303 1.4183 0.6817 0.9383 1.2039 2.7685 1.5686 1.4163 0.8718 3.1171 2.9382 1.3634 1.8052 3.8750 10.6301 1.5346 4.7243
5-(6-hydroxy-6-methyloctyl)-2_5-dihydrofuran-2-one 64.8629 57.0532 69.8869 64.8984 68.0889 46.1897 52.5349 46.3866 95.4722 47.5661 57.9894 62.0659 35.5329 55.2385 45.4133 55.5690 39.0602 46.9403 90.6776 82.1347 73.7795 46.6284 64.6154 43.3824
5_8-dihydroxy-10-methyl-5_8_9_10-tetrahydro-2H-oxecin-2-one 18.1691 12.6527 15.7442 11.5628 16.5568 9.0216 16.6453 12.0524 23.6363 12.6461 11.7276 12.0204 12.8767 18.8016 11.9867 18.5293 15.0279 14.0174 22.7459 21.5000 21.0999 17.9665 16.3099 20.8448
5-chloro-1-isopropyl-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-benzimidazole 0.5174 0.5065 0.4725 0.6052 0.4417 0.3378 0.3671 0.4252 0.3409 0.3505 0.3816 0.1185 0.6458 0.4031 0.3065 0.3905 0.4056 0.4889 0.1796 0.3277 0.2739 0.3300 0.2588 0.2774
5-Methylcytosine 5-Methylcytosine 0.3831 0.2795 0.1952 0.1959 0.2009 0.1928 0.1841 0.1106 0.1084 0.1070 0.1919 0.0609 0.1306 0.1481 0.0702 0.1355 0.0964 0.0738 0.1078 0.0796 0.0633 0.1168 0.0985 0.0682
5^-Methylthioadenosine 5'-Methylthioadenosine 1.4561 0.4773 0.1858 0.2892 0.2404 0.4470 0.1488 0.1828 0.1916 0.0985 0.1545 0.1547 0.8741 0.3733 0.4011 0.5457 0.3424 0.1574 0.1531 0.2436 0.1788 0.1988 0.3744 0.1396
5-Pentyl-2(5H)-furanone 8.7429 9.9043 12.2410 9.0601 8.9637 15.2460 9.3300 7.2067 8.9450 7.2167 6.7022 8.6022 11.4572 10.5493 8.4013 9.3190 16.0466 18.7975 8.6271 8.8656 18.2781 48.1597 7.6033 22.4772
(5R_6Z_8E_10E_12S_14Z)-5_12_20_20_20-Pentahydroxy-6_8_10_14-icosatetraenoic acid 0.3577 0.2681 0.8530 0.3271 0.4323 0.5425 0.6938 0.1648 0.3262 0.2076 0.2933 0.1858 0.3250 0.3367 0.4321 0.4152 0.6316 0.3910 0.1915 0.3035 0.2523 1.0539 0.3537 0.4528
5-Valerolactone 5-Valerolactone 8.9722 9.4926 9.4926 9.5627 9.8580 16.3134 9.7304 7.4666 9.0420 5.4163 5.3597 4.0322 11.0367 5.9872 6.6111 9.8450 13.0860 13.8799 9.6160 10.4719 18.9758 48.3384 6.6765 22.1802
(5Z_9E_14Z)-(8xi_11R_12S)-11_12-Epoxy-8-hydroxyicosa-5_9_14-trienoicacid 0.7649 0.3152 0.7998 0.4308 0.6632 0.4910 0.7290 0.4776 0.1932 0.1107 0.1909 0.1819 0.5047 1.2715 0.5457 0.6489 0.7784 1.8987 0.4511 1.0326 0.2748 1.5480 0.8371 0.7237
6_7_8-trimethoxy-3-phenyl-2-thioxo-1_2_3_4-tetrahydroquinazolin-4-one 0.0142 0.0075 0.0010 0.5232 0.0009 0.0009 0.0009 0.0010 0.0006 0.0012 0.0014 0.0018 0.0012 0.0010 0.0034 0.0010 0.0006 0.0019 0.0008 0.0017 0.0015 0.0067 0.1832 0.0498
6-Acetamido-3-aminohexanoate 0.0533 0.0460 0.0463 0.0421 0.0360 0.0308 0.0332 0.0841 0.0277 0.0277 0.0312 0.0211 0.0813 0.1201 0.0440 0.0647 0.0747 0.0467 0.0454 0.0412 0.0137 0.0380 0.0307 0.0338
6-(Dimethylamino)-2-fluoro-3-(hydroxyiminomethyl)benzonitrile 9.4335 9.6719 5.1183 8.9428 9.6179 8.4344 10.2024 7.6899 8.4818 6.3350 8.9125 6.6245 11.1107 13.6207 10.7333 11.6238 10.3794 12.1507 11.0700 10.7970 10.2859 9.6555 10.0722 9.8643
[6]-Gingerol Gingerol 2.1830 1.2116 2.5778 1.6208 1.7953 2.4067 1.8586 1.1890 1.2282 0.9079 1.0382 0.7790 1.8901 2.0325 1.0901 2.0609 2.4676 2.9554 1.4342 2.1752 2.5296 9.7848 1.6700 3.4343
(+/-)-6-Hydroxy-3-oxo-alpha-ionol 4.9827 2.2165 6.2527 4.0089 4.1108 8.0753 5.5804 2.9515 2.6147 1.9445 2.8701 2.0674 6.1693 5.9289 4.5053 4.2116 7.6913 6.6550 4.1979 5.3611 7.1935 18.3051 3.7512 10.4618
(+/-)-6-Hydroxy-3-oxo-alpha-ionone (6S)-Dehydrovomifoliol 1.6372 2.0423 4.4596 1.9031 2.0102 4.3165 4.0750 1.4487 2.2783 1.0096 3.0099 0.5582 2.5656 2.1356 2.9699 2.9821 4.5465 3.6651 4.0301 3.5498 6.0934 13.3833 2.2476 5.3471
6-Hydroxy-5-methyl-4_11-dioxoundecanoic acid 2.0665 0.9413 2.6749 1.0526 1.0879 1.5778 1.1880 0.5943 0.7020 1.1222 0.7347 1.0866 2.2701 1.1966 1.7751 1.4134 3.5703 3.7940 1.0590 2.6925 7.0234 17.6081 1.8898 6.4306
6-Methyl-1H-benzimidazol-5-ol 21.2710 16.8986 12.4689 12.8422 16.0877 10.0626 14.2131 12.7499 26.0614 16.3258 12.9900 13.0903 10.8747 18.5472 15.5667 18.1416 14.1682 10.2749 20.5492 21.3928 18.4029 8.2848 17.1500 10.0548
6-Methyl-7_8-dihydroimidazo[1_5-c]pyrimidine-5(6H)-thione 0.0051 0.0063 0.0060 0.0060 0.0049 0.0068 0.0054 0.0053 0.0072 0.0065 0.0103 0.0070 0.0047 0.0076 0.0059 0.0051 0.0054 0.0068 0.0053 0.0048 0.0056 0.0037 0.0077 0.0069
6-Methylindole 0.0036 0.0031 0.0024 0.0025 0.0018 0.0022 0.0012 0.0007 0.0005 0.0018 0.0021 0.0008 0.0071 0.0071 0.0025 0.0046 0.0025 0.0027 0.0041 0.0029 0.0013 0.0031 0.0031 0.0021
6-Methylnicotinamide 6-Methylnicotinamide 0.0173 0.0111 0.0097 0.0104 0.0115 0.0075 0.0118 0.0053 0.0036 0.0079 0.0139 0.0027 0.0514 0.0383 0.0126 0.0293 0.0237 0.0174 0.0221 0.0172 0.0108 0.0314 0.0154 0.0163
6-methyltetrahydropterin 6-Methyltetrahydropterin 0.0506 0.0685 0.0503 0.0707 0.0538 0.0616 0.0588 0.0482 0.0483 0.0670 0.1093 0.0404 0.0356 0.0671 0.0613 0.0528 0.0613 0.0584 0.0635 0.0573 0.0486 0.0528 0.0601 0.0511
(6R_8Z)-6-Hydroxy-3-oxo-8-tetradecenoic acid 1.0605 0.6713 2.1179 2.2657 1.1421 2.3114 1.2614 0.5968 0.8358 0.4996 0.7977 0.5767 1.1418 1.0904 0.8103 1.1129 1.7997 2.4648 1.0558 1.2472 3.1911 7.0903 1.3016 3.0249
6-(tert-butyl)thieno[3_2-d]pyrimidin-4(3H)-one 70.8001 73.2907 82.6218 64.2560 78.9140 71.5938 76.3823 67.1777 79.9411 59.5092 68.7095 59.1043 40.3295 62.0424 84.8449 69.4245 72.3998 86.4136 75.6217 78.1304 80.4234 74.1335 74.5456 82.3113
(6Z)-Octadecenoicacid 6-Octadecylenic acid 2.2305 0.4032 1.5189 0.7763 1.3655 1.1091 1.4478 1.4546 0.8404 0.5086 0.2630 0.1593 1.9381 1.7068 1.5412 1.6917 0.8849 0.4847 1.3435 2.3008 1.1652 2.9320 1.9524 1.8613
7-{[(1S_4aS_6S_8aR)-6-hydroxy-5_5_8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]methoxy}-2H-chromen-2-one 0.2523 0.1675 0.2651 0.2157 0.2441 0.2938 0.1584 0.0468 0.0375 0.1113 0.1485 0.0280 1.0831 2.1988 1.1393 0.9409 0.9415 0.8792 1.2080 0.9543 0.4612 0.8520 0.9473 0.8390
7-deoxyloganetin 3.8238 2.7638 6.3197 4.7511 3.0537 6.1474 2.5637 3.2019 3.7463 3.1448 2.7583 1.5749 3.3606 4.1654 3.5872 3.6370 5.5869 6.4130 4.0498 2.8942 7.5268 18.5878 4.6605 8.8804
7-Methyl-2_6_9_12-tetraoxahexadecane 2.3318 1.8879 2.3946 1.2920 1.7551 1.7623 5.1224 1.6240 1.9721 1.0101 1.6732 1.2370 1.1519 2.5389 1.7486 1.7665 2.1176 1.6118 1.4866 2.2256 2.8280 3.1000 1.5770 1.7334
7-oxoheptanoate 0.2626 0.2217 0.3784 0.3467 0.3329 0.6709 0.3347 0.2530 0.2728 0.1652 0.1920 0.2539 0.3462 0.3087 0.2405 0.2515 0.4506 0.6079 0.2658 0.3575 0.4383 2.0623 0.2734 1.3557
8-Amino-7-oxononanoate 8-Amino-7-oxononanoic acid 0.0170 0.0223 0.0112 0.0086 0.0164 0.0130 0.0109 0.0199 0.0149 0.0352 0.0415 0.0219 0.0206 0.0221 0.0146 0.0154 0.0151 0.0206 0.0217 0.0204 0.0203 0.0187 0.0157 0.0112
8-Hydroxyclomipramine 0.2201 0.4141 0.1978 0.1997 0.2736 0.3129 0.3233 0.3181 0.4915 0.3261 0.1540 0.0934 0.1127 0.2528 0.1111 0.3482 0.0751 0.3147 0.4806 0.3850 0.2128 0.2077 0.0705 0.1165
8-methylthiooctanaldoxime 8-Methylthiooctanaldoxime 1.3778 0.7879 1.3368 0.8131 1.2152 0.9843 1.3493 1.1048 1.0604 0.5528 0.6501 0.7282 1.1211 0.9601 1.0477 1.2630 1.0489 0.6522 0.8678 1.3102 0.9785 0.9129 1.4163 1.1449
(9E)-11-Hydroxy-9-tridecenoic acid 0.8395 0.9091 1.6859 1.2261 1.1497 1.5478 1.1259 0.9262 1.0685 0.4647 0.9644 1.2775 1.0972 1.2660 0.9026 0.7882 1.3571 1.5167 1.8173 1.4472 2.0148 3.5669 1.1916 1.8678
(9R)-6-Hydroxy-6-oxido-12-oxo-5_7_11-trioxa-2-aza-6lambda5-phosphaheptacosan-9-yl palmitate 0.0151 0.0018 0.0196 0.0012 0.0108 0.0073 0.0116 0.0083 0.0084 0.0001 0.0012 0.0001 0.0380 0.0162 0.0144 0.0210 0.0067 0.0059 0.0200 0.0234 0.0073 0.0405 0.0146 0.0196
(9Z)-Tetradecenoicacid Myristoleic acid 1.4215 1.1963 2.0085 1.8935 1.6499 5.0663 1.8018 1.3469 1.2341 0.8145 1.0983 1.1953 2.7040 2.2685 1.1699 1.8720 4.1523 4.1544 1.4109 1.8259 10.6804 15.8894 1.6162 7.7075
Acetohydroxamic acid Acetohydroxamic acid 1.4479 1.0934 0.7629 0.7839 0.7210 0.7260 0.8059 0.4958 0.3745 0.4448 0.6831 0.1992 1.8016 1.9842 0.8573 1.2767 0.9015 1.6700 1.3855 1.0597 0.5933 1.2062 0.9835 0.6622
Acetylcholine Acetylcholine 17.0535 13.4970 11.1828 11.3341 8.5451 8.6015 9.2097 5.9986 4.9883 5.9184 9.2381 2.4855 19.3646 21.9926 7.4774 17.1503 9.7096 7.4652 11.1675 8.6349 4.9116 11.6739 11.4508 6.9544
Acetyl-L-carnitine CAR 2:0 132.8282 76.7701 89.1962 89.4098 50.1119 0.2000 32.8833 27.8017 21.0255 57.1607 47.2957 5.1681 515.3659 396.8181 28.8012 166.4289 44.5095 31.2397 53.2087 24.6051 15.0695 151.7061 40.8479 40.8608
Acetyllycopsamine 1.0157 0.7138 1.7995 0.8333 0.8213 1.1791 1.0718 0.5759 1.1887 0.4877 1.0318 0.9136 0.8318 0.7676 0.6494 0.7226 1.8709 1.0620 0.6209 0.8358 1.1490 2.4120 0.7824 1.1329
Acetyl-β-methylcholine 75.5611 35.3825 11.8558 80.6835 45.4604 11.8868 7.7949 3.6917 4.3630 4.9815 5.9292 0.8338 291.9221 38.7113 15.4580 102.1637 68.2602 40.4733 14.9592 6.4984 5.9525 13.2618 8.1129 4.9701
Acipimox Acipimox 5.3452 3.5147 3.7358 2.8383 3.1029 2.6681 2.6554 1.7466 1.1219 2.2085 2.7064 0.5537 9.8160 10.1073 4.3615 6.7713 4.1143 5.2477 5.4160 4.7749 2.4410 6.4928 3.9743 3.9033
Adenine Adenine 1.3590 1.2859 1.7609 2.0109 1.0426 1.4643 0.4375 0.7295 0.1515 1.4633 1.2590 0.3619 0.6752 0.6627 0.1785 0.7926 0.3288 0.3990 0.0602 0.0643 0.0301 0.1289 0.1280 0.0508
Adenosine Adenosine 0.0891 0.2334 0.0577 0.0422 0.0143 0.1726 0.0794 0.1259 0.1575 0.4091 0.2735 0.2409 0.0172 0.0619 0.0039 0.0209 0.0068 0.0035 0.0098 0.0020 0.0015 0.0379 0.0015 0.0014
afegostat 0.3083 0.1694 0.1912 0.2646 0.0980 0.1665 0.2538 0.1588 0.1318 0.1534 0.1794 0.0496 0.5753 0.5283 0.2608 0.1829 0.1983 0.2299 0.5081 0.3475 0.2230 0.4007 0.2588 0.2168
Allopurinol Allopurinol 6.8557 6.3648 6.7610 6.3389 5.5350 5.9696 4.3078 4.4598 3.0572 4.2233 8.4872 2.0249 11.0242 10.7438 3.9536 7.0821 4.9069 4.4501 3.4158 3.7378 2.2749 7.1307 4.6654 3.2932
Allylcyclohexane 0.4121 0.3000 0.5696 0.3274 0.5759 0.3846 0.4013 0.2535 0.3393 0.2104 0.2483 0.3009 0.4532 0.5610 0.2869 0.5753 0.3169 0.5243 0.2982 0.4909 0.3422 1.5744 0.6470 0.8001
Allyl cyclohexylacetate 3.3119 2.3037 4.5679 3.4949 3.2844 7.0581 3.2380 2.0529 2.2091 1.6500 2.2049 2.7270 4.4125 4.9698 3.5781 3.5881 5.2445 7.3520 3.7055 4.6319 11.6783 23.4495 3.7660 8.7949
AMPA Ampa 0.0139 0.0046 0.0064 0.0504 0.0070 0.0049 0.0040 0.0021 0.0022 0.0019 0.0024 0.0021 0.0474 0.0215 0.0272 0.0595 0.0208 0.0080 0.0069 0.0056 0.0060 0.0036 0.0080 0.0034
Anisole Anisole 3.0094 2.2576 4.7600 4.0007 4.3968 6.5504 3.1306 0.5224 1.5274 1.6874 3.6719 1.9356 5.0112 3.8054 2.2192 3.5703 7.7431 8.0669 3.0873 3.6272 8.8818 22.6661 4.1352 9.9121
Anserine Anserine 0.2870 0.1390 0.0982 0.1004 0.1058 0.0924 0.0773 0.0471 0.0371 0.0423 0.0746 0.0105 0.2037 0.3142 0.1430 0.2818 0.1579 0.1519 0.0928 0.1009 0.0511 0.1041 0.0891 0.0720
APV 0.3654 0.2610 0.1982 0.2268 0.2122 0.1898 0.1579 0.1272 0.0718 0.1114 0.1854 0.0253 0.5146 0.6750 0.3760 0.6750 0.4137 0.3915 0.3388 0.3086 0.1769 0.3625 0.2917 0.1903
ARECOLINE Arecoline 2.7309 3.9221 2.0842 3.6717 3.2469 1.9310 2.3911 4.1152 3.3597 4.4833 4.4622 3.8105 1.7857 2.4198 1.8119 2.4672 1.6575 2.9502 4.0382 5.3578 4.4848 3.1820 3.0148 1.6662
Arenediol 8.5470 10.8689 17.9493 12.4883 11.9745 20.7292 13.7770 10.0513 14.3758 9.1395 7.3929 9.9101 11.1932 12.1397 10.3855 12.6029 15.8687 19.6665 8.8366 11.7259 25.0368 56.3241 12.2915 29.4479
Arg-Glu Arg-Glu 0.0054 0.0017 0.0039 0.0033 0.0053 0.0037 0.0012 0.0011 0.0003 0.0012 0.0023 0.0002 0.0108 0.0170 0.0045 0.0093 0.0080 0.0057 0.0072 0.0057 0.0035 0.0061 0.0066 0.0058
arg-leu Arg-Leu 0.3759 0.1575 0.2247 0.3271 0.3080 0.2192 0.1566 0.0353 0.1195 0.1189 0.1490 0.1400 1.1090 1.1322 0.4463 0.6809 0.7784 0.6248 0.4497 0.5626 0.2292 0.3764 0.4060 0.2802
asn-val Asn-Val 0.7740 0.3229 0.2109 0.3116 0.2452 0.1981 0.1717 0.0879 0.0592 0.0683 0.1397 0.0193 0.8111 0.8044 0.3640 1.2778 0.6171 0.2964 0.2096 0.1902 0.0674 0.1554 0.1688 0.0882
Asparagine Asparagine 1.2529 0.7564 0.7267 0.6898 0.5928 0.5099 0.4860 0.2826 0.2221 0.3538 0.5142 0.0967 2.3652 2.9544 1.1850 0.8370 1.5197 1.2074 1.4415 1.0758 0.6654 1.5027 0.9784 0.9599
Aspartyl-L-proline Asp-Pro 0.1923 0.1069 0.0674 0.1409 0.0607 0.0603 0.0492 0.0206 0.0151 0.0249 0.0639 0.0023 0.1780 0.2290 0.0367 0.1299 0.0505 0.0530 0.0872 0.0442 0.0107 0.0556 0.0393 0.0227
Azelaicacid Azelaic acid 0.6342 0.4217 0.6321 0.6928 0.6474 1.2668 0.5894 0.4509 0.4491 0.2984 0.4317 0.4430 0.7065 0.7387 0.5528 0.5946 0.7269 1.1708 0.4539 0.7358 1.9194 3.2990 0.5263 1.4150
Benserazide Benserazide 0.3921 0.2983 0.1991 0.2132 0.2021 0.2031 0.1856 0.1257 0.0951 0.1004 0.2006 0.0507 0.1108 0.1306 0.0625 0.1167 0.0800 0.0674 0.0878 0.0803 0.0422 0.1095 0.1056 0.0566
Benzonitrile Benzonitrile 0.2806 0.3763 0.6616 0.4555 0.5670 0.4239 0.4156 0.3851 0.5400 0.2547 0.3056 0.3027 0.3035 0.6003 0.2141 0.5913 0.3431 0.6956 0.4473 0.7540 1.0174 1.8871 0.6438 0.7345
Benzyl(2R_3S)-2-methyl-3-hydroxybutanoate 1.9023 0.6083 4.9555 3.3854 2.7241 7.4914 2.5321 1.6914 1.6430 1.4608 3.2085 2.5662 3.1641 3.3398 1.4490 2.5874 6.6717 8.4469 3.1647 4.1709 10.0395 24.4421 0.4930 9.0819
beta-Glycerophosphoricacid sn-Glycero-2-phosphate 0.2029 0.1603 0.1983 0.1699 0.1131 0.1185 0.1036 0.0788 0.0834 0.0991 0.0601 0.0457 0.1692 0.2561 0.1491 0.2779 0.1035 0.1301 0.1624 0.1230 0.0808 0.1568 0.1424 0.1130
Bethanidine 5.7705 5.3992 12.2033 7.8999 6.2155 3.2160 6.1814 4.0741 5.4699 8.4343 5.5725 4.4142 27.8656 6.4513 4.3207 8.2128 8.1584 3.9434 3.9346 5.6007 14.4983 9.1620 7.0924 5.3333
bis(1L-myo-inositol) 3_1^-phosphate 1-phosphate 0.0589 0.0553 0.0349 0.0311 0.0252 0.0191 0.0387 0.0071 0.0072 0.0094 0.0304 0.0026 0.0269 0.0535 0.0047 0.0213 0.0049 0.0059 0.0252 0.0087 0.0033 0.0124 0.0069 0.0037
Bis(2-ethylhexyl)adipate Diethylhexyl adipate 21.9056 2.2429 20.0903 3.3134 14.4659 7.7912 14.1752 18.9984 11.3263 0.2045 0.7148 0.7331 19.9238 13.0856 17.7527 23.0609 7.6734 5.7960 15.3331 34.2598 6.5620 12.8656 17.6651 15.3614
(-)-Borneol Borneol 4.0399 3.8200 4.7819 4.2454 6.2643 7.2297 5.2522 4.0811 4.6003 2.6851 2.9734 3.9925 5.5974 5.2566 3.8112 4.2735 7.0056 6.9940 4.4058 4.9757 11.0982 18.3808 4.8590 7.3231
Botrydial Botrydial 5.5242 4.2245 6.5657 3.5061 5.7957 5.3014 5.5232 4.5634 4.3975 2.4095 2.6770 2.6193 4.6773 5.8795 5.2494 7.6300 6.0617 5.0731 4.4965 7.6741 6.5092 15.3384 5.4462 8.3969
b-Skytanthine 2.2307 2.1407 2.1664 2.0362 3.1619 2.3552 2.5241 2.2332 1.3799 1.3121 1.3522 1.5981 2.6919 2.5697 2.1194 2.8293 2.3895 2.4317 1.5649 2.2231 2.3643 3.9952 2.2369 2.7236
butanethiol 0.1551 0.0892 0.1559 0.0903 0.1222 0.0590 0.1519 0.1285 0.0791 0.1176 0.0933 0.1109 0.1752 0.1088 0.1485 0.1438 0.1527 0.1484 0.1549 0.1252 0.1569 0.1749 0.1710 0.1534
Butenylcarnitine CAR 4:1 0.0002 0.0012 0.0012 0.0010 0.0007 0.0009 0.0009 0.0005 0.0005 0.0009 0.0012 0.0004 0.0043 0.0054 0.0018 0.0019 0.0012 0.0012 0.0016 0.0016 0.0009 0.0024 0.0019 0.0011
butoctamide 57.6863 36.9239 42.9110 46.6631 56.6579 42.2120 48.8255 55.6318 57.4022 30.5756 35.3269 47.2877 48.6269 49.8097 2.5292 48.1741 34.2545 50.0438 39.4277 78.7693 44.1324 48.8523 50.5401 56.7472
Butyl isothiocyanate 1.0093 0.6777 1.3981 0.7854 1.0279 0.8663 1.2868 1.2505 1.2707 0.5861 0.3926 1.2698 0.8992 0.8970 0.8515 1.1397 0.7994 0.8040 1.0310 1.6329 1.3296 0.7948 1.1484 1.2567
butyrin 0.2399 0.3926 0.8173 0.2345 0.2577 0.7051 0.3996 0.1975 0.2679 0.1630 0.1834 0.2350 0.4141 0.4772 0.2453 0.3368 0.5339 0.9515 0.3699 0.3514 0.6474 2.0229 0.4515 1.1955
Butyryl-L-carnitine CAR 4:0 0.0563 0.0765 0.1019 0.0861 0.0415 0.0500 0.0398 0.0492 0.0324 0.0766 0.0708 0.0076 0.1450 0.1155 0.0245 0.0935 0.0524 0.0293 0.0639 0.0455 0.0270 0.0841 0.0443 0.0401
BX9286000 0.5200 0.6949 0.3277 0.3625 0.2298 0.2582 0.4684 0.2439 0.2235 0.2284 0.4296 0.0989 0.7167 1.0206 0.2956 0.4990 0.3472 0.3962 0.4219 0.3212 0.2007 0.4390 0.2873 0.2141
(+/-)-Camphoric acid 4.7085 3.1302 5.8926 4.4318 4.3552 6.5123 6.6991 4.5112 0.0531 3.1725 3.6972 2.9388 3.6535 4.7969 2.3042 5.0536 5.1132 4.3555 2.9150 6.6100 7.1433 15.4194 4.1396 7.6704
Caprolactam Epsilon-caprolactam 4249.5557 3959.7647 6711.1997 3735.6513 6428.4287 9399.6418 4997.5658 3909.7760 3943.8111 3092.4157 3154.6712 4143.1418 7053.5958 6753.5954 3831.9474 4391.6527 8064.2601 8871.3830 3456.6637 4881.4546 12633.3306 24655.4465 4616.7765 11446.7978
Capryloylglycine Capryloylglycine 4.1892 4.1082 4.7560 6.5480 6.0935 4.7030 5.4312 7.3936 5.6311 4.0899 4.3063 6.5083 2.2685 3.5692 4.5609 4.6081 3.6356 5.0511 5.5875 6.5985 6.2140 3.4989 5.0570 4.4230
Capsidiol 1.9832 1.4387 2.5397 1.9355 3.9284 2.5842 1.9318 2.0480 1.2887 0.7234 1.2889 1.3449 2.4860 2.3026 1.5153 1.9460 2.6111 6.8158 1.6002 2.1693 3.6287 8.8404 2.0550 3.6175
Carbimazole 0.0015 0.0079 0.0011 0.0012 0.0010 0.0011 0.0011 0.0009 0.0009 0.0201 0.0163 0.0089 0.0011 0.0020 0.0008 0.0012 0.0008 0.0008 0.0009 0.0008 0.0005 0.0070 0.0007 0.0005
Carnosine Carnosine 0.2484 0.1008 0.0928 0.1000 0.0894 0.0714 0.0616 0.0374 0.0267 0.0480 0.0632 0.0203 0.6269 0.5863 0.1248 0.2500 0.1491 0.1181 0.0920 0.0799 0.0529 0.1682 0.0965 0.0636
Catechol;1_2-Dihydroxybenzene 8.3538 5.8311 25.6986 10.4281 11.4584 18.2278 9.9096 2.5232 6.5824 5.0675 1.4891 5.4284 18.2029 11.4586 5.8514 7.9363 13.5823 17.1378 6.0817 9.1231 19.2065 45.5934 17.4252 19.4504
Ceramide (d18:1/25:0) Cer 18:1;O2/25:0 0.0650 0.0651 0.0580 0.0674 0.0590 0.0411 0.0625 0.0547 0.0590 0.0550 0.0640 0.0578 0.0533 0.0261 0.0669 0.0610 0.0575 0.0562 0.0587 0.0607 0.0620 0.0845 0.0625 0.0643
chavicol 11.4061 8.0959 11.8804 7.7401 7.6281 9.1103 11.8517 8.6990 8.3432 6.0627 7.8224 6.5859 11.3972 10.8700 8.4095 11.0276 8.7526 9.9083 9.4367 11.9748 11.8099 15.4344 10.2075 10.8624
Chelirubine Chelirubine 0.1148 0.1078 0.2190 0.2031 0.2493 0.2207 0.2236 0.2218 0.4939 0.2514 0.1649 0.5203 0.1552 0.0531 0.1761 0.0619 0.1519 0.1218 0.1154 0.1312 0.4729 0.1616 0.1080 0.2183
Choline Choline 31.4857 29.7621 23.8233 25.7943 21.5075 22.6147 22.6093 16.8182 16.6247 22.0336 36.7895 6.4905 21.8071 25.0911 14.1949 23.6566 14.1603 15.7957 17.5384 14.7654 7.5485 15.1521 13.9814 9.8205
cis-2-Carboxycyclohexyl-acetic acid cis-2-Carboxycyclohexyl-acetic acid 4.3273 3.5967 6.7531 5.5927 4.2776 12.5105 2.9367 2.5433 1.8489 2.9449 3.5018 3.4142 2.6639 2.3788 4.0053 4.4327 3.2520 8.9183 2.0157 5.0054 5.5098 24.0935 4.7839 11.0860
cis-3-Hexenyl Pyruvate 5.8856 6.7398 9.2918 7.9872 5.7789 19.8103 7.9881 4.3287 4.1899 3.7763 4.8504 4.5240 9.7959 8.8126 3.7322 8.2562 13.7701 20.6521 4.3338 5.1961 29.0043 59.1627 5.4425 25.4829
Civetone 2.2305 0.4032 1.5190 0.7763 1.3656 1.1091 1.4478 1.4546 0.8404 0.5086 0.2630 0.1292 1.9381 1.7067 1.5412 1.6917 0.8864 0.4847 1.3435 2.3008 1.1652 2.9320 1.9524 1.8613
Coniferylalcohol Coniferyl alcohol 2.4269 2.6635 3.7315 2.9397 3.3282 4.4490 4.7254 3.8750 2.7305 1.2468 2.6319 2.0818 3.2308 2.9526 3.0047 3.0404 4.9548 5.5129 4.0347 5.6605 6.2577 9.9160 5.2445 5.7186
Coniferylaldehyde Coniferyl aldehyde 0.0131 0.0074 0.0075 0.0050 0.0120 0.0109 0.0045 0.0030 0.0029 0.0037 0.0115 0.0032 0.0116 0.0273 0.0199 0.0219 0.0302 0.0229 0.0238 0.0264 0.0172 0.0183 0.0201 0.0207
Corraton 0.0042 0.0024 0.0012 0.0026 0.0007 0.0010 0.0007 0.0005 0.0002 0.0004 0.0009 0.0001 0.0095 0.0162 0.0019 0.0089 0.0056 0.0032 0.0016 0.0015 0.0007 0.0036 0.0024 0.0013
Creatine Creatine 1343.4617 1118.8031 924.3559 969.5524 821.8340 787.2794 844.5629 622.1843 543.9431 661.9550 864.0447 313.4401 1761.2751 1869.9383 646.6868 1116.1168 652.7713 673.4127 771.3837 665.0574 485.7768 1139.8934 736.0739 511.3594
Crotono-betaine 0.1126 0.1816 0.1737 0.0621 0.2001 0.0951 0.1867 0.1540 0.2069 0.1980 0.2892 0.2196 0.0810 0.2009 0.0841 0.2054 0.1667 0.1822 0.1801 0.1681 0.1960 0.1190 0.1645 0.1610
CU5774000 7.1932 7.3255 14.7816 7.3231 8.5821 17.7699 9.3160 5.4005 9.2332 4.1678 5.6354 6.3412 11.3158 10.9619 6.5212 8.0851 16.3169 16.3996 7.8314 9.2831 26.0525 52.2504 6.5848 22.0533
Cuminaldehyde Cuminaldehyde 0.3976 0.4566 3.4335 1.2966 1.3307 2.7639 0.8219 1.1669 2.2809 0.3197 0.9108 1.0762 2.0318 1.8345 1.4520 1.8331 3.7326 4.0017 1.3401 3.8125 3.3314 8.1099 1.3244 4.4574
Cyclohexanecarboxylic acid Cyclohexanecarboxylic acid 4.9841 4.3307 5.3608 4.3284 3.0922 6.0383 2.4247 1.9846 4.4315 3.3320 2.6929 4.1995 3.1004 3.1709 3.4452 2.4724 4.7396 7.7331 3.5457 1.5870 8.8982 18.9011 4.7712 7.8434
Cyprodenate 23.6025 13.7579 16.2122 19.2357 23.9191 10.2238 15.0543 29.7897 34.7213 0.2817 23.0867 48.2495 20.1182 18.8315 2.7529 17.1468 14.7419 28.7094 26.5771 35.7564 61.8459 11.5203 20.0671 19.1782
Cystathionine Cystathionine 0.0245 0.0262 0.0177 0.0185 0.0164 0.0209 0.0162 0.0116 0.0108 0.0098 0.0072 0.0074 0.0112 0.0200 0.0182 0.0168 0.0136 0.0210 0.0169 0.0163 0.0130 0.0164 0.0201 0.0124
Cytarabine Cytarabine 0.0603 0.0638 0.0528 0.0542 0.0469 0.0591 0.0506 0.0371 0.0289 0.0360 0.0970 0.0115 0.1061 0.1138 0.0704 0.0671 0.0529 0.0579 0.0505 0.0480 0.0269 0.0637 0.0441 0.0353
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine 0.0021 0.0020 0.0017 0.0017 0.0016 0.0017 0.0013 0.0009 0.0008 0.0009 0.0028 0.0003 0.0037 0.0047 0.0024 0.0027 0.0020 0.0024 0.0024 0.0013 0.0010 0.0022 0.0020 0.0015
Cytosine Cytosine 0.1159 0.1116 0.0929 0.0998 0.0889 0.1060 0.0885 0.0605 0.0529 0.0796 0.1665 0.0263 0.1876 0.1923 0.1217 0.1214 0.0999 0.1030 0.1145 0.1025 0.0571 0.1255 0.1004 0.0817
D-1-Aminopropan-2-olO-phosphate 0.0229 0.0185 0.0169 0.0220 0.0137 0.0149 0.0147 0.0110 0.0120 0.0126 0.0200 0.0060 0.0300 0.0276 0.0121 0.0191 0.0166 0.0184 0.0193 0.0159 0.0101 0.0213 0.0180 0.0119
D-2-Amino-hexano-6-lactam Undecylprodigiosin 0.4276 0.2876 0.4004 0.4402 0.4299 0.3362 0.2623 0.1376 0.2537 0.1739 0.2999 0.1733 0.8541 1.1746 0.7386 0.7552 0.7326 0.7009 0.6559 0.6270 0.5565 0.6947 0.6575 0.5632
DA9185000 30.9828 35.6085 33.2951 36.7421 27.4263 23.7703 32.3416 24.4483 25.0137 26.9733 32.2739 8.8201 43.6955 45.9893 42.9630 51.0197 38.6823 45.2040 37.6535 40.7951 28.6436 35.5630 28.7335 31.5026
D-Ala-D-Ala D-Alanyl-D-Alanine 0.0066 0.0043 0.0043 0.0055 0.0051 0.0036 0.0028 0.0023 0.0024 0.0016 0.0048 0.0015 0.0127 0.0152 0.0107 0.0131 0.0156 0.0107 0.0063 0.0074 0.0040 0.0091 0.0099 0.0065
Dambonitol 0.7311 0.5499 0.7391 1.3988 0.4679 0.4863 0.5461 0.5353 0.7887 0.5753 0.5862 0.6473 0.7943 0.8523 0.6837 0.7946 0.5272 0.8145 1.1227 0.6384 1.9842 0.5533 0.8883 0.5759
D-Arginine D-Arginine 4.4934 3.4622 3.3326 3.4607 3.3670 3.0786 3.0450 1.4025 0.9625 2.1172 2.7520 1.0179 4.9366 6.7455 4.5410 4.7975 3.7816 4.0659 4.9894 3.4519 2.3488 4.4570 4.8008 3.5166
D-(-)-Aspartic acid D-Aspartic acid 0.1336 0.0834 0.0773 0.1062 0.1531 0.0662 0.0642 0.0481 0.0447 0.0560 0.0609 0.0570 0.0414 0.0455 0.0454 0.0406 0.0865 0.0339 0.0986 0.0282 0.0217 0.0488 0.0336 0.0226
DD9275000 414.4741 275.0324 310.5067 262.7318 316.9275 222.5676 324.6066 293.0359 545.1146 354.0515 250.4141 248.1709 267.5778 337.0312 290.6930 847.3104 300.9343 258.0451 561.7009 452.4939 395.7889 523.9783 309.3068 300.3767
Decylubiquinol Decylubiquinol 0.5113 0.2850 1.1990 0.4970 0.5330 0.5504 0.2588 0.1703 0.4190 0.2270 0.1585 0.2070 0.3060 1.2826 0.1989 0.2859 0.3074 0.5732 1.1530 0.6097 0.4166 1.6475 0.6676 0.8252
Deoxycytidine Deoxycytidine 1.8592 1.3702 1.1817 1.4501 1.2851 1.1374 1.8306 0.8929 1.1375 1.0830 1.1804 0.9331 1.5638 1.8979 1.2418 1.5030 1.3803 1.1084 1.9721 2.4396 1.5799 1.7703 2.0885 1.5488
D-Erythrose4-phosphate Erythrose 4-phosphate 0.0936 0.0425 0.0230 0.0310 0.0248 0.0224 0.0715 0.0188 0.0212 0.0174 0.0184 0.0082 0.1900 0.1473 0.0176 0.0631 0.0323 0.0196 0.1199 0.0278 0.0165 0.1248 0.0372 0.0236
Desalkylflurazepam-d4 0.3256 0.3242 0.3574 0.3416 0.3357 0.3117 0.3268 0.2979 0.3156 0.2871 0.3368 0.3692 0.3706 0.2148 0.3885 0.3397 0.3384 0.3443 0.3652 0.3776 0.3995 0.5008 0.3895 0.4049
DG(18:1(9Z)/20:4(5Z_8Z_11Z_14Z)/0:0)[iso2] DG 18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0* 27.4228 3.5225 15.6366 1.8887 13.3299 8.2671 15.2374 7.3255 4.7695 0.0350 0.7846 0.0413 8.9417 9.0682 5.6845 11.7642 2.7515 2.4064 8.1946 10.7498 3.2825 16.9873 9.1073 6.1887
D-Galactosyl-3-N-acetyl-beta-D-galactosamine 0.0194 0.0130 0.0075 0.0162 0.0062 0.0084 0.0082 0.0034 0.0028 0.0029 0.0079 0.0012 0.0218 0.0235 0.0091 0.0248 0.0138 0.0056 0.0063 0.0061 0.0059 0.0080 0.0085 0.0042
D-Glutamate D-Glutamic acid 0.0128 0.0087 0.0067 0.0135 0.0061 0.0064 0.0064 0.0054 0.0042 0.0044 0.0062 0.0013 0.0065 0.0071 0.0019 0.0060 0.0035 0.0071 0.0043 0.0034 0.0009 0.0025 0.0056 0.0030
Dibutyl malate 0.3261 0.2296 1.2930 2.4869 0.2771 1.1956 1.4559 0.5856 0.4619 0.3522 0.4871 0.1545 0.9900 0.5182 0.5771 0.7093 1.3421 2.0947 0.8328 0.8198 1.4496 3.7873 0.4805 0.8266
Diethanolamine Diethanolamine 0.0719 0.0715 0.0706 0.0854 0.0709 0.0748 0.0653 0.0635 0.0600 0.0615 0.1143 0.0805 0.0763 0.0682 0.0747 0.0690 0.0701 0.0810 0.0641 0.0686 0.0632 0.0853 0.0695 0.0738
Digallate Digallic acid 0.1150 0.0557 0.0396 0.0506 0.0711 0.0298 0.0184 0.0307 0.0370 0.0240 0.0218 0.0220 0.2510 0.1639 0.0404 0.1526 0.1553 0.0856 0.0616 0.0423 0.0143 0.0458 0.0550 0.0248
Dihydrojasmone Dihydrojasmone 1.9917 0.9946 3.1091 2.0525 1.7611 2.9817 1.1079 0.9983 1.3791 1.5069 1.1060 1.0275 2.6562 2.6287 2.3118 2.2756 2.3894 3.0773 2.1248 2.3953 4.7383 10.8600 2.1143 4.9148
Dihydrophaseicacid Dihydrophaseic acid 3.1920 1.2944 4.5005 0.8986 1.6551 3.5956 5.7523 1.5205 1.0745 1.1719 2.0474 0.9328 2.2049 2.2096 2.1803 2.7205 5.1658 5.0533 2.5201 4.0056 3.4999 10.1401 1.6814 4.9842
dihydropyranone 5.1378 4.0513 8.0124 5.1432 4.6480 11.3613 6.3505 3.8904 4.7714 3.0670 3.5338 1.3150 5.0287 4.4971 3.6309 5.2617 10.0628 11.5743 3.2373 5.1492 14.4400 34.1826 4.2061 15.8222
Dihydrothymine Dihydrothymine 24.2027 12.4786 9.3060 4.3248 5.3594 6.4371 5.6146 3.2515 1.7514 1.8962 5.2334 0.9928 6.1674 13.2658 4.3124 8.3835 3.6455 7.7469 5.2601 4.2845 1.6056 3.8391 5.4080 2.0063
dilauroyl peroxide 0.9952 0.0776 0.8285 0.0590 0.4450 0.2574 0.4325 0.3568 0.1693 0.0179 0.0197 0.0219 1.2928 0.3988 0.6019 0.5934 0.1785 0.1449 0.3809 0.5802 0.1142 0.4641 0.7021 0.4754
Dimefox 0.9929 0.9960 1.0054 0.9559 1.0020 0.8742 1.1503 1.0085 1.1659 0.8149 0.5202 1.0039 0.9093 1.2144 1.1546 1.0791 1.0902 1.1817 1.1956 1.1183 1.3803 0.9819 1.2049 1.1111
Dimethylaminopropionylphenothiazine 36.9858 33.0751 37.6240 31.6996 37.1197 19.0742 41.2534 26.9401 37.8815 30.5328 23.0233 27.6775 32.8036 43.0449 34.9877 44.9575 34.7093 17.7907 31.8092 58.3959 48.7681 40.0660 36.1900 38.3836
dinotefuran Dinotefuran 0.1007 0.1196 0.0961 0.2000 0.1129 0.1054 0.1244 0.0873 0.0820 0.0764 0.0943 0.0788 0.0798 0.0956 0.0764 0.0833 0.0676 0.0841 0.0970 0.1127 0.0836 0.0989 0.1190 0.0642
DL-Arginine-6C13 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
DL-Dipalmitoylphosphatidylcholine 0.0535 0.0068 0.0807 0.0034 0.0524 0.0241 0.0468 0.0352 0.0280 0.0002 0.0093 0.0002 0.1077 0.0516 0.0422 0.0784 0.0229 0.0271 0.0689 0.0704 0.0422 0.1934 0.0446 0.0728
DL-Glutamine Glutamine 220.7518 181.1250 152.9680 10.7047 130.1453 131.6109 138.5617 97.8430 82.8541 87.3065 136.3678 80.9144 237.9615 331.9703 185.5233 215.3420 159.9147 195.4889 189.9664 166.4229 108.3580 189.4546 214.8814 116.9640
DL-Serine-13C3 Serine 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
DL-Tryptophan Tryptophan 0.4690 0.3577 0.2570 0.2977 0.2236 0.2692 0.2018 0.1078 0.0638 0.2245 0.3354 0.0849 0.7759 0.8496 0.2883 0.5282 0.3140 0.3246 0.4904 0.3466 0.1458 0.3486 0.3822 0.2509
D-myo-Inositol1_2-cyclicphosphate Inositol cyclic phosphate 1.1961 1.0729 0.8657 0.8659 0.8127 0.7709 0.7050 0.4718 0.4446 0.4887 0.8016 0.3481 1.2481 1.5555 0.8448 1.1092 0.9254 0.8105 0.7084 0.8235 0.5663 0.7705 0.7394 0.5901
DOG 0.8882 0.3744 0.6576 0.4326 1.1810 0.4625 0.1587 0.0970 0.1142 0.0873 0.2399 0.0831 0.9664 1.2166 2.7902 3.3280 2.7914 1.9560 0.9789 1.4270 0.4743 0.4793 1.5367 1.4461
D-(+)-Pyroglutamic Acid 173.6577 119.5278 99.3770 85.3773 88.2725 88.3242 92.0239 65.2704 53.6403 59.1599 88.8605 57.1121 177.2800 263.9847 138.3171 168.8867 118.5482 131.5838 145.0839 122.1257 72.6327 121.1711 164.4648 78.4781
DROMOSTANOLONE TETRAHYDROPYRANYL ETHER 1.9697 0.1322 0.9703 0.0648 1.0395 0.5037 0.9021 0.4360 0.2741 0.0340 0.0642 0.0393 0.5476 0.9988 0.8483 2.1115 0.3922 0.6673 0.6525 0.7500 0.3188 1.8597 0.6154 0.4250
Drostanolone propionate 4.3245 0.4108 2.5075 0.2467 2.0704 1.2347 2.2556 1.0657 0.6594 0.0475 0.1327 0.0496 2.6435 2.6890 1.6583 3.8759 0.9699 0.7911 1.9554 2.4121 0.6460 4.7774 2.0187 1.2687
D-Serine D-Serine 2.3354 1.6649 1.6075 1.7205 1.5477 1.3946 1.4242 0.8572 0.5746 0.9906 1.4325 0.3865 3.3112 4.8336 2.2492 3.1254 2.3892 2.4716 3.2064 2.3120 1.4832 2.7853 2.3267 1.9757
EGTA 0.0108 0.0142 0.0152 0.0185 0.0146 0.0166 0.0143 0.0205 0.0121 0.0123 0.0206 0.0196 0.0049 0.0123 0.0141 0.0133 0.0141 0.0139 0.0111 0.0108 0.0142 0.0149 0.0104 0.0151
EJ4025000 0.0003 0.0001 0.0003 0.0052 0.0002 0.0001 0.0006 0.0003 0.0003 0.0001 0.0003 0.0001 0.0004 0.0002 0.0001 0.0001 0.0001 0.0001 0.0002 0.0003 0.0001 0.0003 0.0016 0.0007
Elaeokanine C Elaeokanine C 18.7952 30.6812 19.5571 20.4050 22.1097 13.9267 19.0544 12.9483 24.9820 0.1354 17.6365 22.7679 15.5490 17.1084 0.5157 16.3346 10.9402 17.9742 28.5691 22.3023 21.1866 12.2114 0.1391 14.3034
EPK 0.2671 0.1730 0.2516 0.2723 0.2273 0.1629 0.1472 0.1725 0.1101 0.1291 0.1952 0.0587 0.4274 0.5763 0.1681 0.3417 0.1979 0.2006 0.2899 0.2913 0.2074 0.3576 0.2664 0.2388
Estratetraenol;1_3_5(10)_16-ESTRATETRAEN-3-OL 1.7916 2.4125 2.2698 2.1059 1.9601 2.2420 1.9317 2.0495 1.9601 1.9871 2.2573 1.9256 1.6637 2.2087 1.4379 0.9773 1.7074 2.3359 2.6058 2.3302 2.2919 2.1894 2.4687 2.1050
Ethionine L-Ethionine 1.9773 1.9478 2.5398 1.1116 1.4999 1.8956 1.8748 1.1487 1.3167 0.8630 1.3806 0.6405 7.1835 6.6190 6.3206 8.9437 8.0474 6.2336 3.9250 8.3303 5.0363 5.5238 4.3143 4.2621
ethirimol 0.0069 0.0004 0.0013 0.0003 0.0039 0.0015 0.0021 0.0020 0.0002 0.0001 0.0001 0.0001 0.0169 0.0067 0.0056 0.0091 0.0010 0.0013 0.0044 0.0029 0.0017 0.0198 0.0039 0.0046
Ethyl3-oxohexanoate Ethyl 3-oxohexanoate 0.7993 0.4882 0.8697 0.4571 0.4606 1.1046 0.7613 0.2161 0.2933 0.2301 0.2920 0.4235 0.6743 0.6434 0.4077 0.4356 0.8449 0.3109 0.2936 0.5566 0.9952 2.7023 7.8476 1.7263
Ethyl furfuryl ether 5.0795 4.2523 7.1242 4.7647 5.3446 9.5411 6.4965 2.3467 4.7056 1.8517 4.4669 0.9356 6.4434 6.7522 4.6507 5.7299 9.0530 9.6676 4.6981 6.0343 2.8933 27.9727 5.4214 12.8155
Ethylvanillin propylene glycol acetal 2.6862 0.9668 4.9385 2.5140 1.4079 6.4972 3.3165 1.1194 1.1447 0.8993 1.6990 0.4117 3.1394 1.6719 0.8403 1.2553 5.9027 6.2117 2.0991 1.5565 6.6586 18.0599 1.7864 7.6144
Etofenprox 0.1129 0.0146 0.0713 0.0546 0.0142 0.0164 0.0142 0.0028 0.0022 0.0208 0.0071 0.0016 0.0383 0.0801 0.0041 0.0213 0.0049 0.0041 0.0335 0.0036 0.0024 0.0140 0.0078 0.0024
[FA(16:2)]N-hexadecyl-ethanolamine Palmitoyl-EA 12.2305 0.7604 3.3999 0.8698 3.6504 1.9003 4.5630 3.5809 1.4595 0.1832 0.2221 0.2497 4.6778 5.1448 4.8307 6.4920 1.8636 0.8673 4.2911 9.3247 1.6996 10.6866 6.5870 3.8021
[FA(18:0)]12R_13S-epoxy-9Z-octadecenoicacid 1.8163 0.9563 2.3530 1.3473 1.4590 1.8127 1.6072 1.3184 1.1319 0.7035 0.4022 0.5948 2.3548 1.5832 1.5392 1.8733 1.6171 2.4638 1.5886 2.7551 2.0822 4.6679 1.7693 2.6354
[FA(18:1)]9Z-Octadecen-12-ynoicacid 1.3450 0.5910 1.4447 1.0527 1.1935 1.1803 1.5050 0.9011 0.8565 0.4679 0.6023 0.3679 2.7777 2.2368 1.4989 1.8041 1.2568 1.7334 1.4420 1.8095 1.3361 3.2089 1.8742 1.6803
[FA(18:2)]9Z_11E-octadecadienoicacid Rumenic acid 1.2000 0.4573 0.5998 0.4265 1.2891 0.8183 0.9801 0.8224 0.8823 0.3925 0.5417 0.2174 0.7261 1.1197 0.7241 1.5694 0.9589 0.3976 0.8938 2.4747 0.8135 2.5438 1.2492 0.4754
[FA(18:4)]6Z_9Z_12Z_15Z-octadecatetraenoicacid Stearidonic acid 3.1274 0.9067 2.3289 0.6365 2.0156 1.1090 1.5783 0.8035 0.7798 0.4785 0.6922 0.3837 3.3787 3.5094 3.3047 5.7704 2.1632 2.1343 2.5523 4.3089 2.0860 2.8441 2.0663 2.4621
[FA(20:0)]11Z-eicosenoicacid cis-Gondoic acid 3.2544 0.3094 1.9745 0.2508 1.7750 1.0026 1.8708 1.0409 0.6253 0.1227 0.1461 0.1510 2.5083 1.8177 1.1575 2.7298 0.6600 0.4383 1.5871 2.6859 0.7509 4.9481 1.6894 1.8698
[FA(20:4)]5Z_8Z_11Z_14Z-eicosatetraenoicacid Arachidonic acid 5.0336 0.5366 3.1276 0.4223 2.9310 1.8383 2.8241 1.6254 1.3411 0.1019 0.3442 0.1503 2.7208 2.9923 2.4042 4.4769 1.4620 1.4906 2.4172 3.4634 1.3016 6.2106 2.8703 2.2355
[FA(6:1)]2-hexenal 6.6782 5.7876 7.5437 5.1759 7.3997 10.6855 7.8254 4.3539 4.9171 4.1044 4.9718 3.7508 5.0222 7.4357 4.5702 7.2834 9.4996 9.9523 6.3919 8.2888 15.7848 31.8485 7.1219 14.5568
[FAamino(5:0)]2S-amino-pentanoicacid 2S-Aminopentanoic acid 58.5864 44.5354 51.7912 38.5328 30.8600 31.3495 34.9768 25.3222 22.2565 32.2512 38.9947 21.8002 106.4158 146.4448 41.9061 69.9195 54.1958 33.5936 83.9918 52.1744 29.9618 92.7600 74.3321 58.8267
[FAoxo(12:0)]12-oxo-10E-dodecenoicacid Traumatin 4.6228 3.5860 6.4174 4.0900 4.9446 13.0316 4.8415 1.2891 1.4942 2.7599 1.9550 1.5364 5.9970 7.1387 3.2225 4.4499 7.9821 10.0637 3.7970 3.8143 18.6161 40.6074 3.6525 15.7829
[FAtrihydroxy(18:0)]9_10_13-trihydroxy-11-octadecenoicacid 9,10,13-TriHOME(11) 7.0614 1.2939 5.1816 0.7537 6.9751 1.8318 0.6533 0.4590 1.2776 0.2879 1.2500 0.2270 6.5753 6.6474 12.1764 19.9738 13.0939 13.8369 2.1412 9.1553 3.3206 4.3589 4.7647 5.8002
Fenipentol 0.0006 0.0006 0.0037 0.0013 0.0012 0.0004 0.0008 0.0010 0.0014 0.0005 0.0067 0.0004 0.0004 0.0008 0.0012 0.0011 0.0009 0.0038 0.0010 0.0008 0.0007 0.0004 0.0004 0.0047
frescolat ML 0.0167 0.0155 0.0258 0.0279 0.0420 0.0303 0.0210 0.0069 0.0485 0.0132 0.0293 0.0433 0.0230 0.0575 0.0641 0.0200 0.0183 0.0168 0.0619 0.0438 0.0500 0.0480 0.0363 0.0728
gamma-Coniceine gamma-Coniceine 0.8776 0.0206 0.0257 0.0136 0.1448 0.0319 0.0323 0.0692 0.0088 0.0840 0.0412 0.0101 0.0432 0.0124 0.0126 0.0193 0.0723 0.0185 0.0349 0.2986 0.0766 0.0448 0.0071 0.0075
gamma-Glu-gln gamma-Glutamylglutamine 0.0109 0.0063 0.0045 0.0035 0.0057 0.0053 0.0053 0.0032 0.0025 0.0025 0.0045 0.0028 0.0036 0.0060 0.0037 0.0070 0.0043 0.0046 0.0025 0.0032 0.0031 0.0031 0.0048 0.0026
Gamma-Glutamylcysteine gamma-Glutamylcysteine 0.0792 0.0620 0.0428 0.0462 0.0520 0.0426 0.0649 0.0457 0.0349 0.0265 0.0462 0.0150 0.0487 0.0538 0.0580 0.0979 0.0564 0.0427 0.0281 0.0367 0.0163 0.0223 0.0385 0.0329
gamma-Glutamyl-gamma-aminobutyraye 1.6472 1.4043 0.9199 0.9567 0.6827 0.7434 0.6730 0.3649 0.1767 0.3876 0.6358 0.0112 0.9636 1.6131 0.5528 1.5315 0.7628 0.8770 0.6053 0.4293 0.0975 0.3559 0.2949 0.1460
gamma-L-Glutamylputrescine gamma-Glutamylputrescine 0.0035 0.0041 0.0106 0.0103 0.0028 0.0021 0.0011 0.0011 0.0024 0.0093 0.0024 0.0005 0.0132 0.0070 0.0047 0.0114 0.0061 0.0028 0.0039 0.0039 0.0028 0.0046 0.0013 0.0030
Geosmin Geosmin 0.6086 0.4920 0.4291 1.8379 0.3927 0.7108 0.9046 0.1487 0.4322 0.4337 0.4928 0.4679 0.5350 0.8171 0.5661 0.7720 0.6534 0.7076 0.5888 0.8704 0.9012 2.0208 0.9473 0.6822
Gingerdione 1.8191 0.8787 1.9454 0.8258 1.1584 2.0743 1.5292 0.9553 0.2751 0.2761 0.6630 0.5069 1.1482 1.3694 1.1895 1.2983 1.6530 1.9436 0.9944 1.3873 3.0994 8.4401 1.2255 4.2209
Glucose 1-phosphate Glucose 1-phosphate 0.0823 0.0790 0.0683 0.0753 0.0663 0.0677 0.0600 0.0413 0.0286 0.0512 0.0642 0.0352 0.0851 0.0977 0.0780 0.0845 0.0718 0.0759 0.0729 0.0705 0.0540 0.0735 0.0768 0.0669
Glucosylceramide (d18:1/24:1(15Z)) 3.5025 0.3401 4.4312 0.1958 3.7638 1.1186 4.4117 2.9139 2.1812 0.0590 0.6762 0.0928 2.6500 1.2891 2.4484 3.9714 0.9861 1.1773 1.4945 2.8069 6.3735 15.1147 1.2745 3.5611
glu-ser Glu-Ser 0.0058 0.0038 0.0023 0.0043 0.0026 0.0017 0.0031 0.0019 0.0016 0.0025 0.0037 0.0008 0.0615 0.0104 0.0025 0.0096 0.0035 0.0034 0.0095 0.0038 0.0029 0.0080 0.0050 0.0028
Gly-Arg Gly-Arg 0.0113 0.0043 0.0066 0.0081 0.0073 0.0053 0.0027 0.0015 0.0013 0.0029 0.0046 0.0013 0.0188 0.0317 0.0095 0.0141 0.0152 0.0105 0.0088 0.0151 0.0060 0.0090 0.0098 0.0105
Glycerol phenylbutyrate 1.3865 0.0411 1.0374 0.0902 0.7023 0.2647 0.8899 1.0264 0.6246 0.0149 0.0173 0.0180 0.9876 0.7689 0.7578 1.0835 0.2463 0.1854 0.9905 2.5471 0.4569 1.7740 0.9182 1.0300
Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 0.1468 0.0973 0.1497 0.2611 0.0764 0.0942 0.0971 0.0908 0.1022 0.0978 0.1063 0.0741 0.1831 0.2173 0.0926 0.1634 0.0877 0.1358 0.2072 0.1084 0.2670 0.0865 0.1657 0.0732
glycidyl oleate 4.2837 0.7882 4.1292 0.3632 2.8377 1.8666 3.5793 3.4908 2.3018 0.3487 0.3924 0.4129 3.3619 2.5810 2.2066 3.9146 0.6730 0.7606 3.2745 5.0150 2.4334 7.5973 2.2633 3.1604
glycyclamide 0.0006 0.0003 0.0003 0.0003 0.0005 0.0003 0.0003 0.0002 0.0003 0.0003 0.0004 0.0002 0.0031 0.0019 0.0014 0.0017 0.0040 0.0017 0.0217 0.0022 0.0005 0.0008 0.0006 0.0011
Gramine 0.0027 0.0025 0.0021 0.0037 0.0023 0.0020 0.0021 0.0023 0.0021 0.0023 0.0032 0.0024 0.0023 0.0025 0.0020 0.0022 0.0019 0.0023 0.0023 0.0021 0.0020 0.0020 0.0025 0.0022
Griseofulvin Griseofulvin 0.0035 0.0019 0.0020 0.0026 0.0021 0.0017 0.0016 0.0013 0.0007 0.0014 0.0018 0.0003 0.0079 0.0062 0.0022 0.0033 0.0031 0.0025 0.0019 0.0022 0.0013 0.0036 0.0022 0.0018
GU6490000 4.7455 3.7686 5.6008 3.6435 5.1501 3.9418 5.6531 2.0214 1.7521 3.1838 2.8591 2.9696 4.4300 3.4695 3.9527 4.2371 3.9077 5.2026 1.5056 3.2794 6.6047 14.9416 4.3455 5.5102
Guancidine 0.0005 0.0024 0.0026 0.0004 0.0004 0.0027 0.0023 0.0033 0.0006 0.0045 0.0062 0.0039 0.0024 0.0005 0.0011 0.0011 0.0001 0.0008 0.0031 0.0001 0.0032 0.0022 0.0001 0.0011
Guanidineacetic acid Guanidoacetic acid 0.4180 0.5031 0.6368 0.4625 0.2401 0.2501 0.3187 0.1954 0.2277 0.3722 0.3472 0.1229 0.8020 1.2440 0.6102 1.0185 0.6222 0.6894 1.0736 0.8913 0.6046 1.1537 0.9172 0.7357
Guanidineaceticacid;Guanidoaceticacid 0.0377 0.0210 0.0213 0.0140 0.0205 0.0191 0.0228 0.0336 0.0482 0.0233 0.0224 0.0195 0.0263 0.0300 0.0235 0.0266 0.0237 0.0235 0.0237 1.0309 0.0311 0.0220 0.0266 0.0192
Guanidinosuccinic acid Guanidinosuccinic acid 0.0111 0.0097 0.0110 0.0107 0.0106 0.0106 0.0067 0.0040 0.0031 0.0083 0.0147 0.0037 0.0188 0.0210 0.0159 0.0155 0.0179 0.0169 0.0178 0.0139 0.0108 0.0211 0.0168 0.0165
Guanine Guanine 0.1678 0.1635 0.1542 0.1737 0.1596 0.1410 0.0933 0.1262 0.0596 0.1042 0.2084 0.0284 0.1490 0.1286 0.0923 0.1232 0.0689 0.0645 0.0217 0.0395 0.0281 0.0696 0.0333 0.0288
Guanosine Guanosine 0.1717 0.1587 0.1620 0.1415 0.1348 0.1483 0.1184 0.1316 0.0542 0.0826 0.2133 0.0265 0.1816 0.1717 0.0765 0.1444 0.0773 0.0578 0.0304 0.0466 0.0302 0.0843 0.0329 0.0265
Guanylurea 0.0045 0.0016 0.0127 0.0006 0.0007 0.0004 0.0116 0.0138 0.0056 0.0017 0.0065 0.0026 0.0029 0.0026 0.0008 0.0015 0.0039 0.0017 0.0014 0.0082 0.0023 0.0035 0.0030 0.0013
GW7340000 6.9889 7.7546 12.0892 8.9178 9.9924 22.7366 8.9731 6.7337 7.5683 5.6176 5.1105 5.6803 11.5871 12.6398 7.5807 7.3987 17.8870 22.1656 6.8529 7.3309 27.9690 68.9571 5.9184 28.9101
H3HP-DO3A 0.0123 0.0130 0.0204 0.0201 0.0215 0.0246 0.0223 0.0356 0.0480 0.0330 0.0105 0.0751 0.0094 0.0124 0.0217 0.0086 0.0190 0.0088 0.0266 0.0183 0.0511 0.0225 0.0280 0.0409
HEPES 0.0926 0.0032 0.0044 0.0555 0.0074 0.0034 0.0029 0.0034 0.0021 0.0029 0.0034 0.0015 0.0349 0.0331 0.0144 0.0253 0.0182 0.0160 0.0136 0.0127 0.0081 0.0108 0.0077 0.0075
HEPTACHLOR Heptachlor 0.0010 0.0005 0.0005 0.0005 0.0006 0.0005 0.0004 0.0004 0.0002 0.0002 0.0004 0.0002 0.0008 0.0008 0.0006 0.0009 0.0007 0.0006 0.0003 0.0003 0.0002 0.0004 0.0004 0.0003
Heptenal Heptenal 2.6472 1.2822 0.9778 2.2661 2.3560 3.7788 2.3488 1.3748 2.9347 1.4516 2.5340 1.6775 2.7446 2.8074 2.9136 4.0170 3.4762 4.2933 1.9397 2.9286 4.9208 10.3358 2.6033 6.0870
hexahomomethionine Hexahomomethionine 5.8794 4.8757 8.0540 4.2756 7.7208 7.4651 8.2714 5.0093 5.5369 3.0508 3.3420 4.5003 8.0316 8.1293 4.0846 6.1923 8.6809 8.4105 4.2006 7.1323 12.3062 9.9220 5.6600 8.1906
Hexanoylcarnitine CAR 6:0 1.3909 0.9002 1.7767 1.9545 1.3565 2.4049 0.8787 0.7106 1.2868 0.5052 0.6176 0.2715 4.0301 2.9171 0.3917 1.6300 1.5971 2.1055 1.0938 1.2656 3.4817 8.9560 1.0488 3.9650
Hexanoylglycine Hexanoylglycine 0.5485 0.6392 0.5166 0.9662 0.5068 0.4237 0.7171 0.7428 0.6860 0.9525 0.7039 0.9070 0.5386 0.6992 0.5593 0.3820 0.2718 0.3925 0.7105 1.1919 0.8089 0.1800 0.4356 0.6059
Hexylamine Hexylamine 68.6326 66.0736 72.1305 93.5513 69.2766 78.5512 58.3156 69.7610 64.8570 43.3011 68.1654 44.6944 70.9479 68.5580 68.9189 59.8543 75.3476 73.7497 68.8695 70.3998 65.2350 63.7665 81.8574 68.1796
Histamine Histamine 8.3976 0.9318 7.0058 8.1750 0.9675 0.2173 0.2887 0.3340 0.7084 5.5386 0.2633 0.1824 78.2522 62.2321 0.5349 13.7753 1.6377 0.4081 2.3829 0.2885 2.1017 12.2514 0.1816 0.2431
his-tyr His-Tyr 0.2778 0.1569 0.1371 0.1950 0.1675 0.1475 0.0991 0.0401 0.0119 0.0936 0.0952 0.0221 0.1385 0.6316 0.2463 0.3905 0.3890 0.2789 0.2962 0.2999 0.1339 0.2753 0.2807 0.2262
HO-dPEG8-OH 12.5105 12.1906 14.1922 58.9752 9.8389 8.0965 9.7569 12.9056 16.7056 12.1354 9.7144 13.7110 11.4920 10.7346 10.6336 11.9950 9.7450 15.7152 43.2098 18.2155 63.3945 11.9208 31.2529 17.5499
Homoanserine Homoanserine 0.0198 0.0124 0.0089 0.0091 0.0089 0.0085 0.0078 0.0049 0.0042 0.0050 0.0084 0.0010 0.0189 0.0316 0.0141 0.0225 0.0142 0.0155 0.0107 0.0121 0.0061 0.0110 0.0098 0.0081
Homoarginine Homoarginine 2.4785 1.8463 1.9128 1.8579 1.6733 1.6751 1.4937 0.6668 0.4055 1.0844 1.6318 0.4622 3.2427 6.3966 3.2024 3.1046 3.0146 2.9574 4.2799 3.2893 1.8630 3.2546 3.4586 2.6599
Hordenine Hordenine 0.0017 0.0026 0.0026 0.0011 0.0022 0.0019 0.0020 0.0024 0.0009 0.0028 0.0056 0.0026 0.0006 0.0014 0.0013 0.0028 0.0020 0.0030 0.0018 0.0012 0.0030 0.0007 0.0023 0.0009
hydroprene Hydroprene 1.0054 0.6358 0.8480 0.6848 0.7776 0.8126 0.4755 0.5597 0.4391 0.2228 0.3308 0.1904 0.8185 0.7963 0.5768 0.9149 0.6317 1.0221 0.6495 0.6304 1.2178 2.3844 0.6754 1.4948
Hydroxyhexanoycarnitine CAR 6:0;OH 0.0294 0.0302 0.0453 0.0399 0.0425 0.0376 0.0320 0.0241 0.0360 0.0212 0.0695 0.0289 0.0415 0.0388 0.0298 0.0344 0.0323 0.0347 0.0351 0.0371 0.0305 0.0316 0.0336 0.0416
Hydroxymethylphosphonate Hydroxymethylphosphonic acid 0.9721 0.8019 0.5641 0.5836 0.5840 0.5295 0.4705 0.2971 0.0479 0.2962 0.4755 0.1186 1.3978 1.5721 0.6074 1.1857 0.6050 0.5666 0.6479 0.5274 0.2767 0.6276 0.5683 0.3296
Hypotaurine Hypotaurine 0.3997 0.3414 0.3650 0.4096 0.2002 0.1933 0.2867 0.3190 0.1041 0.2144 0.2920 0.0928 1.9318 1.7432 0.3932 0.6132 0.4873 0.5883 0.6887 0.5688 0.3415 0.9941 0.5202 0.3754
Hypoxanthine Hypoxanthine 21.2761 21.4114 16.2852 20.7745 17.6961 17.5359 15.3289 11.5868 11.8340 16.5951 28.8639 9.3015 22.7168 28.7850 19.2753 20.5403 19.2467 19.0758 21.3860 17.6460 13.2487 22.0324 19.5079 16.4189
ibufenac 3.8962 3.2095 4.6537 3.3717 2.5855 5.8242 4.6926 2.5173 1.7295 2.8385 2.0828 2.1315 4.6173 3.1207 2.9028 2.3226 5.8560 7.3106 3.5209 5.2303 7.8382 19.1419 2.2051 8.4166
IE1225000 0.0051 0.0106 0.0123 0.0108 0.0043 0.0059 0.0081 0.0031 0.0028 0.0055 0.0109 0.0038 0.0035 0.0136 0.0081 0.0193 0.0030 0.0053 0.0061 0.0013 0.0037 0.0186 0.0060 0.0016
Imetit Imetit 0.8578 0.6971 0.5708 0.5475 0.5552 0.4531 0.6052 0.3489 0.3062 0.3028 0.2445 0.1524 0.5042 0.6756 0.3888 0.6384 0.4574 0.3604 0.4817 0.2881 0.2430 0.3119 0.3269 0.2376
Inosine Inosine 1.7209 1.5224 1.4675 1.6478 1.2053 1.3006 1.0728 0.9751 0.6954 1.0370 1.9199 0.4576 2.5033 2.2493 0.9618 1.5635 1.2353 0.8775 0.7838 0.8286 0.4952 1.5537 0.9557 0.6805
Inosinic acid IMP 0.8448 0.0189 0.0087 0.1227 0.0227 0.0065 0.0251 0.0162 0.0131 0.0086 0.0083 0.0036 3.7872 2.0363 0.0338 1.2879 0.0529 0.0042 0.0076 0.0073 0.0050 0.0917 0.0147 0.0062
ionene 1.6933 0.9132 1.4507 1.5726 1.8657 1.3020 1.1261 1.1030 1.5050 2.1735 1.3139 1.5007 1.4946 1.5206 1.0380 1.3650 1.3868 2.5498 7.6608 1.7956 3.4949 3.7018 1.0917 1.9211
Isoleucine - 6C13 1204.6093 1144.4642 1111.7706 1085.5215 1102.3211 990.8352 1181.4820 1010.9803 1120.5114 856.2432 685.0962 889.7842 1281.1606 1535.9105 1161.9609 1237.3107 1144.2123 1271.5006 1221.3176 1161.8268 1232.8227 1189.9968 1190.2621 1096.6165
KJ9800000 104.1420 87.1772 98.4754 72.7625 118.9387 79.3165 102.2922 81.0987 84.1192 50.6683 70.6765 67.6118 84.6442 107.7675 85.6915 114.9149 81.5174 103.2124 79.9607 102.0955 102.3278 47.6567 94.5404 84.9957
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine 0.0089 0.0043 0.0043 0.0058 0.0048 0.0030 0.0008 0.0007 0.0008 0.0009 0.0024 0.0009 0.0117 0.0121 0.0047 0.0090 0.0073 0.0063 0.0019 0.0020 0.0016 0.0039 0.0047 0.0035
L-Carnitinamide 1.2244 0.9204 0.6512 0.6985 0.6705 0.6347 0.6959 0.4432 0.3305 0.3914 0.6164 0.1536 1.0504 1.5201 1.0776 1.3529 1.0477 1.1650 0.9443 0.8911 0.5103 0.9308 0.9519 0.6544
L(-)-Carnitine Carnitine 615.5597 529.3336 557.0554 503.4162 292.5947 303.4970 344.2941 223.3569 218.4371 391.1535 357.5400 58.9124 844.0165 1102.1000 356.8767 800.6956 418.1048 359.9924 503.1093 417.5380 255.9057 555.0726 397.5901 299.5873
L-(+)-Citrulline Citrulline 14.5187 11.6706 12.8846 11.9500 14.2992 9.8179 8.0782 6.0117 3.2220 7.5359 10.4163 2.4411 38.6931 43.0057 17.7019 19.6531 20.3337 22.4285 21.5276 14.6126 8.8319 20.9420 19.0434 13.8314
L-Ergothioneine Ergothioneine 2.8156 1.8920 1.6256 2.6443 1.4780 1.1257 1.4090 0.9718 0.8227 1.7443 1.5320 0.5552 5.8364 5.4728 1.6248 3.8135 3.0904 2.0807 5.9535 3.6347 1.6663 3.9864 4.1816 3.0264
Leucylasparagine Leu-Asn 0.0752 0.0345 0.0250 0.0523 0.0309 0.0131 0.0084 0.0057 0.0054 0.0091 0.0148 0.0021 0.1582 0.1312 0.0496 0.1159 0.0561 0.0818 0.0153 0.0394 0.0159 0.0186 0.0242 0.0075
Leucylproline Leu-Pro 5.8412 2.2362 2.7987 3.3150 1.6182 1.0378 1.2436 0.7169 0.2718 1.8584 1.4629 0.3304 47.3593 35.6565 1.9006 8.7599 2.4282 1.1711 2.2370 0.9652 1.4852 12.3804 1.0409 1.1579
Leucyltyrosine Leu-Tyr 0.0035 0.0018 0.0024 0.0035 0.0047 0.0022 0.0010 0.0013 0.0003 0.0013 0.0027 0.0005 0.0058 0.0074 0.0080 0.0112 0.0159 0.0117 0.0061 0.0107 0.0060 0.0063 0.0085 0.0080
leu-gln Leu-Gln 0.0156 1.5019 0.0088 1.4583 0.0191 0.0079 0.0060 0.7583 0.7615 0.9796 1.1000 0.3365 0.0582 0.0563 0.0336 0.0460 0.0356 0.0425 0.0130 0.0249 0.0307 0.0132 0.0196 0.0104
Leu-Pro(Leucyl-Proline) 0.2651 0.1065 0.1523 0.1880 0.1884 0.1414 0.0930 0.0472 0.0575 0.1770 0.1685 0.0691 0.6070 0.7073 0.3162 0.2948 0.3783 0.3720 0.1940 0.1769 0.1945 0.3224 0.2116 0.1735
Leu-Val Leu-Val 0.5890 0.5184 0.3788 0.3953 0.3269 0.3538 0.3969 0.2786 0.2175 0.2009 0.3803 0.1211 0.6097 1.0847 0.5422 0.7238 0.4581 0.5267 0.5812 0.5376 0.2842 0.5008 0.5999 0.3128
Levamisole Levamisole 2153.2592 1844.6241 2141.2334 1820.1811 2191.2583 1290.5154 2441.5068 1592.3943 2047.2666 1212.8056 1449.3437 1775.8748 1622.8229 2644.3736 1913.9581 2187.7289 1689.9017 1620.2929 1482.5370 2534.6989 2390.0748 1599.2784 2186.8919 1670.2575
Levetiracetam Levetiracetam 0.0283 0.0067 0.0110 0.0062 0.0070 0.0053 0.0089 0.0066 0.0055 0.0039 0.0045 0.0032 0.0488 0.0370 0.0407 0.0527 0.0583 0.0346 0.0127 0.0414 0.0344 0.0337 0.0381 0.0152
L-gamma-Glutamyl-L-leucine gamma-Glutamylleucine 0.0719 0.0541 0.0448 0.0604 0.0502 0.0407 0.0456 0.0182 0.0268 0.0204 0.0410 0.0087 0.2444 0.1757 0.0972 0.1549 0.0949 0.1250 0.0989 0.0824 0.0579 0.0812 0.0721 0.0563
L-Glutamic acid Glutamic acid 106.3549 85.0296 54.3725 58.0596 51.8164 48.1512 47.2160 28.3455 21.7296 27.6021 46.8427 10.3011 47.0436 48.7656 15.5387 41.1669 23.7541 23.8812 22.9732 16.3916 8.2643 22.2095 19.4729 10.2086
L-Glutaminyl-L-proline Gln-Pro 0.2612 0.1800 0.1421 0.1430 0.1358 0.1125 0.0879 0.0626 0.0128 0.0565 0.1095 0.0069 0.3346 0.6633 0.1126 0.2921 0.1482 0.1325 0.2066 0.1439 0.0478 0.1447 0.1344 0.0708
L-Glutathione (reduced) Glutathione 3.1373 2.3170 2.4135 3.3338 2.1946 1.6088 1.8354 1.7886 1.3004 1.3565 1.5431 0.3749 6.6649 2.9248 2.1252 4.7304 3.2060 2.4156 0.9516 1.6203 1.0683 1.6033 1.2506 1.3051
L-Histidinol L-Histidinol 2.4031 1.7070 2.9674 1.5356 2.1623 1.3401 2.5328 2.0251 2.1982 1.3130 1.3494 1.2356 3.3711 2.5820 2.2697 3.1944 2.8533 1.0299 2.2475 2.1538 1.1511 2.7555 2.8965 3.0591
LINALYL BUTYRATE 1.5319 0.9940 1.4911 1.4638 1.3251 2.1934 1.4558 1.0299 1.0899 0.7195 0.8905 0.8552 1.8366 1.7181 1.1434 1.3109 2.1000 2.5863 1.1931 1.4505 3.2859 8.4198 1.4162 3.5024
L-Lysine Lysine 0.4930 0.3301 0.3671 0.4045 0.2760 0.2452 0.2487 0.1544 0.1295 0.2457 0.2365 0.0963 1.0291 1.1002 0.4598 0.6613 0.5667 0.4947 0.5656 0.4256 0.2515 0.5261 0.4289 0.3937
L-(-)-Methionine Methionine 0.2558 0.1987 0.2150 0.2163 0.1819 0.1748 0.1437 0.0799 0.0573 0.1282 0.1504 0.0602 0.5304 0.7261 0.3555 0.4585 0.3717 0.3920 0.4758 0.3400 0.2412 0.4404 0.4011 0.3308
L-MethionineS-oxide Methionine sulfoxide 0.2275 0.1846 0.1687 0.2293 0.1494 0.1415 0.1784 0.0851 0.0698 0.1315 0.1424 0.0363 0.4258 0.4489 0.1509 0.0898 0.1563 0.2681 0.3209 0.1807 0.1111 0.5802 0.2030 0.1682
L-N2-(2-Carboxyethyl)arginine 0.1378 0.1182 0.0913 0.0728 0.0823 0.0766 0.0816 0.0523 0.0306 0.0491 0.0702 0.0193 0.2883 0.3163 0.1114 0.2315 0.1949 0.1396 0.1656 0.1382 0.0855 0.1218 0.0970 0.0581
L-Octanoylcarnitine CAR 8:0 0.7043 0.4397 0.8029 0.9505 0.6274 1.2863 0.4977 0.1565 0.4432 0.2911 0.2917 0.3291 0.2536 0.2809 0.1985 0.2027 0.6269 1.1281 0.5534 1.2182 1.3840 3.4510 0.2625 1.6071
LQ1825000 15.2838 16.1605 37.6182 14.2074 7.6073 19.9732 24.3778 31.5713 17.1866 12.7997 14.8681 17.1902 18.1653 7.6143 18.0389 20.5797 20.1280 21.6458 18.2025 41.9581 47.8697 33.4450 18.4216 20.2282
L-Threonine Threonine 5.7126 3.5285 3.1423 3.1586 2.7379 2.5549 2.5597 1.5181 1.0378 1.7805 2.7227 0.6087 8.7352 12.3131 4.1655 6.5045 4.9189 4.9315 6.4877 4.5265 2.6066 5.3378 4.5162 3.1931
L-Tyrosine Tyrosine 0.1586 0.1324 0.1332 0.1264 0.1300 0.1109 0.0921 0.0694 0.0440 0.0781 0.0822 0.0724 0.2725 0.4536 0.2664 0.2706 0.2353 0.2610 0.2447 0.2058 0.1636 0.2868 0.2502 0.2054
L-Tyrosinemethylester Methyl tyrosinate 0.0143 0.0085 0.0082 0.0103 0.0128 0.0118 0.0049 0.0034 0.0033 0.0042 0.0123 0.0034 0.0146 0.0296 0.0213 0.0245 0.0317 0.0183 0.0256 0.0277 0.0178 0.0190 0.0215 0.0216
(-)-Lupinine Lupinine 0.0091 0.0113 0.0131 0.0131 0.0151 0.0138 0.0105 0.0088 0.0123 0.0086 0.0203 0.0120 0.0117 0.0119 0.0117 0.0112 0.0111 0.0113 0.0089 0.0109 0.0091 0.0078 0.0113 0.0131
LYSINOALANINE_ (S_R)- 0.0014 0.0004 0.0016 0.0018 0.0008 0.0004 0.0002 0.0002 0.0002 0.0009 0.0002 0.0002 0.0032 0.0044 0.0010 0.0030 0.0023 0.0013 0.0008 0.0014 0.0008 0.0021 0.0012 0.0008
lys-leu Lys-Leu 2.6781 1.8928 1.3300 1.3934 1.4643 1.2559 1.2297 0.7842 0.6608 0.7225 1.3155 0.2725 2.4277 3.7132 2.0787 3.4342 2.1606 2.1300 1.9920 1.8936 0.9611 1.9330 2.0029 1.2163
Maleamate Maleamate 0.0190 0.0340 0.0112 0.0175 0.0110 0.0252 0.0065 0.0071 0.0077 0.0047 0.0132 0.0009 0.0129 0.0047 0.0022 0.0060 0.0117 0.0053 0.0084 0.0039 0.0008 0.0051 0.0043 0.0039
mebutamate 0.6800 0.4078 0.1733 0.2849 0.3405 0.2589 0.2221 0.1297 0.1020 0.1425 0.2369 0.0537 0.4274 0.4720 0.4392 0.6217 0.4919 0.4112 0.3573 0.4232 0.2271 0.3350 0.4225 0.2722
Melagatran 18.9862 14.2720 17.2673 13.9665 19.0073 13.2021 19.4991 14.2571 18.2607 9.4743 13.1268 15.7736 14.2421 19.9385 13.9926 19.2425 16.5499 14.6394 16.3677 21.5252 20.2675 18.0874 16.6722 16.7082
mercaptopurine Mercaptopurine 1.3120 1.5647 1.9229 1.9426 2.0645 1.8678 1.6592 1.5707 3.4863 4.0556 1.9060 7.7765 1.6129 1.1389 2.0240 1.2426 1.8060 2.0243 1.5465 1.8997 4.2998 3.0092 1.9606 3.7495
Mesitol 5.1402 6.3147 11.2233 6.0195 6.5640 14.1473 5.9855 3.2924 4.6825 4.2781 4.9818 4.0890 8.6913 8.9108 4.4434 5.6034 12.3218 15.8693 4.1331 5.4336 16.7562 46.1651 5.1938 1.4170
Metanephrine L-Metanephrine 2.9022 2.1076 3.3724 2.6573 3.6875 2.5617 3.4236 2.6038 3.0579 2.1402 2.7391 2.6825 2.4890 3.0812 2.9485 3.9113 2.5378 2.5785 3.4493 4.0364 4.4986 3.5278 3.5987 2.6316
methionol 3-(Methylthio)-1-propanol 8.5930 7.6922 8.2324 6.0758 8.0590 4.5194 9.8235 7.7246 8.5514 5.5664 6.8632 7.1888 6.4420 6.6606 7.3457 9.3197 6.5421 5.5789 7.6597 11.2401 7.1630 6.4063 7.2145 5.2620
Methohexital Methohexital 0.0009 0.0005 0.0005 0.0009 0.0008 0.0005 0.0004 0.0001 0.0003 0.0002 0.0007 0.0002 0.0019 0.0023 0.0009 0.0013 0.0008 0.0007 0.0006 0.0006 0.0005 0.0010 0.0006 0.0006
Methyl 11-(6-oxabicyclo[3.1.0]hex-2-yl)undecanoate 0.5908 0.2838 0.5625 0.3379 0.4947 0.8210 0.6912 0.2350 0.1640 0.1016 0.1819 0.1661 0.5510 0.9458 0.4351 0.4799 0.2597 0.7916 0.8466 0.6247 0.6903 2.4597 0.6653 1.1914
methyl 3_5-ditert-butyl-4-hydroxybenzoate 1.0655 0.6457 1.6482 1.1767 1.2186 1.2551 1.4209 0.8571 0.8795 0.6182 0.4125 0.5835 1.6450 0.7360 0.9067 0.5848 1.1541 1.1120 0.8825 1.1434 1.4926 3.5002 0.6436 1.9139
Methyl 5-hydroxybenzimidazolecarbamate 1.7755 1.9782 2.1064 1.8873 2.0042 1.0617 1.8471 1.2136 1.6798 1.2796 1.4699 1.9276 1.4552 2.0637 1.5955 1.8667 1.8026 1.4849 1.3856 2.0629 2.2599 0.8418 1.8898 1.5882
Methylazoxymethanol Methylazoxymethanol 1.6844 1.6066 1.6830 1.5991 1.6410 1.5933 1.6745 1.6989 1.7433 1.6560 1.6868 1.6654 1.7035 1.6857 1.7108 1.7024 1.7037 1.6347 1.6977 1.7046 1.6593 1.6957 1.7505 1.6970
Methyl bisnorbiotinyl ketone 0.0053 0.0004 0.0104 0.0117 0.0112 0.0059 0.0129 0.0098 0.0107 0.0004 0.0005 0.0002 0.0034 0.0004 0.0136 0.0065 0.0109 0.0111 0.0020 0.0100 0.0045 0.0004 0.0077 0.0062
?-(Methylenecyclopropyl)glycine 0.0017 0.0035 0.0028 0.0253 0.0041 0.0050 0.0042 0.0032 0.0039 0.0045 0.0038 0.0004 0.0043 0.0039 0.0028 0.0031 0.0040 0.0058 0.0049 0.0045 0.0041 0.0072 0.0063 0.0036
methyl isoquinoline-3-carboxylate 0.0106 0.0071 0.0066 0.0036 0.0058 0.0039 0.0040 0.0015 0.0023 0.0069 0.0102 0.0015 0.0186 0.0185 0.0099 0.0050 0.0113 0.0103 0.0144 0.0128 0.0019 0.0168 0.0142 0.0085
Methyl vinyl ketone 5.4428 5.1633 6.3371 5.0112 6.1069 4.5517 7.4508 4.1027 6.6085 4.5708 4.7766 4.9411 4.4309 4.9378 4.8199 7.3808 5.0034 4.8331 6.3857 7.1203 7.6272 8.8370 6.0870 5.0242
methyprylon Methyprylon 3.4115 2.8345 2.6627 4.0018 4.2527 2.6807 3.1186 3.1718 3.8317 0.0726 3.1021 3.3917 1.6547 2.2918 2.7823 3.2713 1.4678 2.8925 3.9614 4.2645 3.2015 1.6124 3.3428 1.8139
METIPRANOLOL Metipranolol 0.0014 0.0019 0.0015 0.0013 0.0008 0.0011 0.0010 0.0004 0.0006 0.0007 0.0008 0.0002 0.0009 0.0023 0.0009 0.0008 0.0005 0.0010 0.0012 0.0005 0.0004 0.0004 0.0008 0.0003
MFCD00025555 0.3539 0.2075 0.0401 0.1247 0.0305 0.1587 0.0429 0.0725 0.0810 0.0587 0.1305 0.0274 0.3659 0.5636 0.2179 0.4227 0.2072 0.2908 0.3117 0.2488 0.1196 0.2090 0.2755 0.1481
MFCD00037215 0.0980 0.0495 0.0576 0.0610 0.0341 0.0210 0.0182 0.0070 0.0128 0.0241 0.0197 0.0054 0.1150 0.1299 0.0386 0.1353 0.0733 0.0548 0.0525 0.0359 0.0250 0.0323 0.0249 0.0224
MFCD00051313 2.3309 1.0638 3.7431 2.3109 2.2147 2.8927 3.0454 2.1950 1.5359 1.8534 1.3908 1.9700 2.5055 2.0849 2.0381 1.6146 3.7322 2.7754 3.9248 2.5303 3.5733 8.5718 2.0171 4.2321
MFCD00130070 4.0399 3.8200 4.7819 4.2454 6.2643 7.2297 5.2522 4.0811 4.6003 2.6851 2.9734 3.9925 5.5974 5.2566 3.8112 4.2735 7.0056 6.9940 4.4058 4.9757 11.0982 18.3808 4.8590 7.3231
MFCD00133175 0.5402 0.2489 0.9470 0.2907 0.3335 1.1016 0.4742 0.5449 0.2884 0.3534 0.2282 0.2776 0.7570 0.4638 0.4721 0.7153 0.7367 0.5860 0.4354 0.6817 1.4618 4.0992 0.5355 1.6923
MFCD00153469 11.7668 13.9554 11.6175 11.1174 13.5969 11.5490 11.3628 7.3596 15.1256 6.6529 9.4695 12.2654 7.8565 11.0444 8.1662 11.0521 7.4445 12.7145 11.9422 12.9838 17.7757 15.7674 11.8331 14.1441
MFCD10567365 1.1488 0.8479 1.5736 1.0216 1.1746 1.6115 1.1149 0.8996 0.7969 0.5806 0.6992 0.6929 1.3009 1.2772 0.8683 1.0350 1.7067 1.8788 1.1004 0.7178 2.2513 6.9028 1.0515 3.1409
MFCD22416941 0.0371 0.0013 0.0150 0.0017 0.0136 0.0043 0.0142 0.0134 0.0033 0.0009 0.0014 0.0009 0.0134 0.0100 0.0084 0.0160 0.0036 0.0014 0.0140 0.0227 0.0019 0.0305 0.0128 0.0100
N1-(3-Pyridylmethyl)-3-(3_4-dichlorophenyl)acrylamide 0.4477 0.4184 0.3912 0.5617 0.4519 0.4583 0.4354 0.3934 0.3556 0.3678 0.6611 0.2396 0.3641 0.5149 0.4374 0.3756 0.4848 0.3921 0.3217 0.3265 0.2739 0.3856 0.4170 0.3423
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-yliden)-2-chloroaniline 0.6539 0.4208 0.3241 0.3540 0.3043 0.2854 0.2808 0.2044 0.1849 0.2492 0.2847 0.0799 1.1647 0.9936 0.3452 0.6921 0.3266 0.3015 0.3716 0.3277 0.1990 0.4433 0.2713 0.2530
N2-(4_5-dihydro-1_3-thiazol-2-yl)-5-nitro-2-furamide 0.1772 0.1675 0.1578 0.1688 0.1508 0.1503 0.1005 0.0739 0.0456 0.0940 0.0966 0.0723 0.2233 0.4223 0.3301 0.3147 0.2970 0.3333 0.2707 0.2384 0.2137 0.3609 0.3175 0.2634
N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 0.0550 0.0282 0.0370 0.0400 0.0087 0.0235 0.0204 0.0251 0.0072 0.0189 0.0246 0.0041 0.1330 0.1419 0.0344 0.1039 0.0645 0.0418 0.0536 0.0606 0.0425 0.0542 0.0601 0.0405
N2-(D-1-Carboxyethyl)-L-lysine D-Lysopine 0.0008 0.0003 0.0005 0.0006 0.0007 0.0005 0.0003 0.0002 0.0002 0.0002 0.0005 0.0001 0.0020 0.0017 0.0013 0.0018 0.0015 0.0013 0.0006 0.0014 0.0009 0.0008 0.0011 0.0006
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide 0.0172 0.0157 0.0256 0.0269 0.0433 0.0255 0.0212 0.0072 0.0487 0.0128 0.0294 0.0436 0.0237 0.0574 0.0633 0.0200 0.0180 0.0462 0.0605 0.0430 0.0495 0.0479 0.0367 0.0791
N3_N4-Dimethyl-L-arginine 1.6650 0.9322 0.8211 0.8591 0.4641 0.6169 0.6231 0.3150 0.2168 0.5283 0.6691 0.1433 6.9689 7.5629 2.3463 3.2392 2.9630 2.5186 3.6108 2.7889 0.9306 4.3903 1.9681 1.2811
N-{4-[(2R_3R)-3-(Hydroxymethyl)-4-methyl-5-oxo-2-morpholinyl]phenyl}-2-methylbenzamide 9.7701 10.1170 12.2645 10.5654 11.1291 9.7017 8.5847 4.0201 4.2435 7.8574 9.8359 6.5745 10.3594 9.3763 8.7193 10.4808 6.4336 9.8799 8.6645 8.9408 5.7276 5.8073 6.5240 7.1684
N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE 0.0025 0.0009 0.0005 0.0057 0.0006 0.0005 0.0007 0.0004 0.0003 0.0007 0.0006 0.0003 0.0090 0.0056 0.0004 0.0019 0.0002 0.0002 0.0005 0.0005 0.0003 0.0010 0.0015 0.0008
N5-Ethyl-L-glutamine N(5)-Ethyl-glutamine 0.5735 0.3577 0.2782 0.3626 0.2587 0.1962 0.1745 0.0829 0.0841 0.1244 0.1896 0.0243 1.5565 1.2623 0.2943 0.7352 0.4540 0.5074 0.5116 0.2893 0.1447 0.4029 0.2996 0.2013
N^5^-formyl-N^5^-hydroxy-L-ornithine 0.2886 0.2219 0.2569 0.3290 0.3056 0.2089 0.1551 0.0839 0.0555 0.1320 0.1858 0.0302 0.5456 0.5125 0.3282 0.5000 0.4924 0.4572 0.2890 0.3304 0.1539 0.3226 0.2870 0.2034
N5-(L-1-Carboxyethyl)-L-ornithine N(6)-Acetyl-N(6)-hydroxy-lysine 0.0664 0.0393 0.0399 0.0397 0.0318 0.0179 0.0312 0.0137 0.0102 0.0154 0.0186 0.0041 0.2079 0.1873 0.0561 0.0843 0.0368 0.0430 0.0579 0.0380 0.0232 0.0452 0.0286 0.0175
N^-{6-[(5-chloro-3-pyridyl)oxy]-3-pyridyl}-N_N-dimethyliminoformamide 1.2367 1.2972 0.9746 0.9759 0.8529 0.8812 0.9008 0.6147 0.5173 0.5586 0.9692 0.2106 1.3561 1.9899 1.1809 1.3178 0.9581 1.2486 1.3441 1.2641 0.6434 1.5032 1.0876 0.8335
N-(6-Aminohexanoyl)-6-aminohexanoate 0.0078 0.0054 0.0070 0.0091 0.0113 0.0073 0.0080 0.0018 0.0069 0.0015 0.0095 0.0050 0.0202 0.0136 0.0236 0.0249 0.0407 0.0335 0.0088 0.0174 0.0147 0.0094 0.0104 0.0116
N6_N6-Dimethyllysine N(6),N(6)-Dimethyl-lysine 0.0074 0.0053 0.0050 0.0066 0.0029 0.0031 0.0034 0.0013 0.0014 0.0038 0.0029 0.0004 0.0357 0.0321 0.0055 0.0132 0.0061 0.0044 0.0133 0.0055 0.0041 0.0051 0.0042 0.0040
N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 0.0901 0.0465 0.0393 0.0358 0.0354 0.0303 0.0393 0.0225 0.0241 0.0455 0.0396 0.0215 0.1641 0.2412 0.0423 0.0750 0.0560 0.0385 0.3572 0.1283 0.0531 0.0857 0.1256 0.1245
N-Acetyl-1-aspartylglutamic acid N-Acetyl-Asp-Glu 14.2920 13.3792 9.2314 9.9237 9.0648 9.4841 9.3725 7.0414 5.6722 5.8961 9.4264 3.2209 1.3264 0.9988 0.4137 1.7714 0.6248 0.7562 1.9348 1.7132 1.1108 2.1001 2.7029 1.3441
N-Acetyl-beta-D-galactosamine 0.3453 0.1836 0.1613 0.0817 0.1366 0.0954 0.0605 0.0505 0.0588 0.0244 0.1024 0.0468 1.0719 0.9271 0.2317 0.7398 0.4175 0.3260 0.2997 0.2948 0.1398 0.4909 0.1647 0.2068
N-Acetyl-beta-D-glucosaminylamine N-Acetyl-beta-glucosaminylamine 0.1130 0.0984 0.0425 0.0484 0.0569 0.0414 0.0302 0.0318 0.0126 0.0183 0.0344 0.0028 0.1520 0.1766 0.0805 0.0711 0.1243 0.1086 0.0767 0.0810 0.0364 0.0729 0.0658 0.0470
N-acetyl-DL-cysteine N-Acetylcysteine 2.6560 2.4713 2.5928 2.1852 2.5671 1.2061 3.4926 2.3898 2.5153 1.5346 1.5177 2.5920 2.3077 3.4776 2.0475 2.2392 2.1058 2.1838 2.0813 2.4521 2.5262 1.8962 3.0365 2.5759
N-Acetylglucosaminitol N-Acetyl-glucosaminitol 0.3355 0.0988 0.0592 3.2755 0.1047 0.0852 0.0984 0.0181 0.2923 0.0979 0.0994 0.0257 0.0579 0.1865 0.1190 0.1259 0.1767 0.1573 0.1236 0.1325 0.1000 0.0865 1.1969 0.3939
N-Acetyl-L-histidine N-Acetylhistidine 0.0453 0.0269 0.0223 0.0278 0.0210 0.0321 0.0295 0.0144 0.0235 0.0197 0.0262 0.0143 0.0342 0.0415 0.0279 0.0371 0.0142 0.0186 0.0566 0.0262 0.0131 0.0322 0.0349 0.0205
N-Acetyl-L-methionine N-Acetylmethionine 4.3483 2.7687 3.3417 2.2703 3.4245 1.3915 2.2293 1.9030 0.4670 1.6006 2.4646 0.5232 6.2683 11.9687 4.0750 7.7419 5.7646 4.3975 8.7870 5.8393 3.9625 6.1899 5.3053 4.1498
N-acetyl(phenyl)cysteine 2.4592 2.3427 2.5928 1.6698 2.5663 2.1089 2.6864 1.9148 2.6624 1.5428 1.8650 2.2474 1.9091 3.1033 2.4573 2.8649 2.3899 2.0650 1.9916 2.8821 2.3460 1.4355 2.4917 2.0397
N-Adenylylanthranilate 0.0061 0.0031 0.0091 0.0125 0.0079 0.0106 0.0086 0.0084 0.0079 0.0088 0.0123 0.0116 0.0066 0.0067 0.0051 0.0049 0.0080 0.0079 0.0069 0.0069 0.0082 0.0078 0.0070 0.0093
N-alpha-Acetylarginine Pelargonidin 0.2012 0.1997 0.1734 0.1697 0.1184 0.2362 0.2134 0.1152 0.1385 0.0838 0.1541 0.0929 0.1453 0.3636 0.4454 0.2740 0.2013 0.3039 0.3234 0.2257 0.1911 0.2407 0.4088 0.2170
n-Amylbenzene 1.9916 0.9949 3.1222 2.0529 1.3799 2.9829 1.1085 0.9992 1.3800 1.5080 1.1066 1.0283 2.6563 2.6287 2.3121 2.2759 2.3890 3.0765 2.1246 2.3961 4.7400 10.8572 2.1150 4.9146
N-Butyryl-L-homoserinelactone N-Butyryl-L-homoserine lactone 2.5738 3.1132 3.7773 3.6874 2.5173 1.8166 4.0890 2.6639 2.9811 2.7774 2.6560 4.3245 2.9930 2.9231 2.7467 3.9810 2.1229 11.3707 3.0974 3.4674 3.2498 2.4041 3.7668 2.1466
n-heptanoic acid Heptylic acid 7.4918 6.6215 6.4698 6.6031 7.5158 6.4418 7.2271 5.0501 8.3645 4.0682 5.6914 7.0261 5.1598 7.7144 5.9137 6.5754 6.5414 8.0345 7.0790 0.9445 9.9800 0.5642 7.1473 7.2453
n-Hexanamide 102.0642 75.0079 115.6390 107.4783 123.0775 111.5322 113.7205 114.9161 118.9202 30.0393 39.8086 43.6082 95.2590 109.1414 101.5314 101.6904 122.4781 129.7696 99.3858 154.1268 146.6196 92.6603 126.7205 116.6511
N-Hydroxy-2-acetamidofluorene 0.0042 0.0021 0.0021 0.0026 0.0018 0.0012 0.0011 0.0008 0.0006 0.0014 0.0022 0.0002 0.0119 0.0082 0.0018 0.0061 0.0040 0.0021 0.0027 0.0019 0.0011 0.0048 0.0028 0.0019
Nicotinamide Niacinamide 1053.6606 814.9669 729.1862 645.1003 707.8663 588.9296 763.3885 486.1473 398.5538 450.5188 612.6397 260.0978 1219.7738 1140.1640 440.1584 814.8870 493.4931 447.3114 449.0513 472.9259 284.5793 796.0221 410.0061 301.7560
Nitrosoguvacoline 0.0025 0.0008 0.0010 0.0134 0.0019 0.0011 0.0006 0.0004 0.0005 0.0008 0.0013 0.0008 0.0031 0.0025 0.0031 0.0010 0.0015 0.0022 0.0004 0.0003 0.0010 0.0018 0.0032 0.0006
N-lauroylglycine NA-Gly 12:0 3.5747 3.1346 3.5268 3.8574 4.7968 3.0098 2.9610 3.1421 4.4065 1.7823 3.2836 3.4965 1.7634 4.2819 3.2661 3.3705 2.1534 2.3618 3.8481 4.3800 3.5635 2.3972 4.0015 2.5813
N-Methylhistamine 1-Methylhistamine 3.9330 2.7793 3.5458 0.5499 1.1870 0.8489 1.5101 0.7161 0.6701 3.1027 1.6684 0.3047 6.2674 1.4682 2.1583 3.1773 1.8370 1.1167 3.2986 0.1941 1.8194 3.3775 1.3203 0.7998
N-Methylisopelletierine 5.8794 4.8757 8.0540 4.2756 7.7208 7.4651 8.2714 5.0093 5.5369 3.0508 3.3420 4.5003 8.0316 8.1293 4.0846 6.1923 8.6809 8.4105 4.2006 7.1323 12.3062 9.9220 5.6600 8.1906
N_N-Dimethyl-N-phenylurea 0.0014 0.0009 0.0008 0.0014 0.0017 0.0009 0.0009 0.0003 0.0012 0.0002 0.0016 0.0009 0.0009 0.0013 0.0018 0.0008 0.0005 0.0011 0.0014 0.0012 0.0005 0.0014 0.0010 0.0015
N_N-Dimethylsphing-4-enine 2.9114 0.1210 0.6697 0.1609 1.2619 0.3641 0.7508 0.5530 0.2587 0.0893 0.1017 0.1290 1.6538 1.2390 1.1210 1.8386 0.5451 0.1940 1.5760 3.1420 0.4707 3.7199 1.9430 1.2396
N-Nitrosodiethylamine N-Nitrosodiethylamine 0.0057 0.0019 0.0052 0.0048 0.0105 0.0067 0.0039 0.0015 0.0108 0.0015 0.0102 0.0104 0.0036 0.0073 0.0108 0.0030 0.0032 0.0067 0.0094 0.0076 0.0075 0.0131 0.0076 0.0139
NNK 0.4272 0.3402 0.1984 0.1477 0.1341 0.1870 0.1618 0.0885 0.0601 0.0582 0.1596 0.0214 0.4206 0.7962 0.3277 0.3950 0.1748 0.2389 0.2557 0.2282 0.0749 0.2186 0.1949 0.1099
N-Nonanoylglycine N-Nonanoylglycine 5.0713 4.1126 3.9062 5.1935 5.9768 3.6315 4.2508 3.9374 6.4667 4.0683 4.4706 4.6391 3.1033 4.4408 4.2046 4.5588 3.2185 5.6361 5.8463 6.0782 5.5983 2.4041 0.3585 3.2025
Nonane-4_6-dione Nonane-4,6-dione 3.9317 2.7440 4.0865 2.2718 2.5387 3.0677 3.7048 2.9647 3.7482 1.2968 1.4444 3.4695 3.5431 3.1309 3.3855 4.3675 4.6257 4.7944 3.8742 1.8217 5.2045 11.4813 3.3996 5.4030
NP-002322 1.7548 1.0871 1.1259 1.5755 1.8708 1.3892 2.1071 1.7001 1.5572 0.9489 1.7506 1.2632 1.9236 1.5535 1.0789 1.4322 1.3356 1.4321 1.2635 1.6531 2.3613 2.1572 1.5864 1.1959
NP-003469 4.9746 4.6195 3.3549 3.6281 3.4581 3.2435 3.0041 1.7045 1.5138 2.0356 3.0259 0.9623 6.4256 7.4227 3.4034 4.9936 3.2589 3.1607 3.7825 3.1934 1.8118 3.9011 3.5200 2.1094
NP-008952 15.7888 10.7090 22.0292 15.3497 14.8460 40.4991 16.9649 10.6831 13.5149 11.2608 11.9977 9.4975 22.9961 22.1396 11.6509 16.1378 30.9107 40.4297 16.2667 23.1943 53.8333 138.1528 16.5024 51.7246
NP-015114 3.1351 0.8436 0.7082 0.6361 0.4683 0.3619 0.6477 0.2790 0.0925 0.4649 0.5384 0.0434 8.6558 6.3271 0.4667 2.3251 0.5345 0.3770 0.8865 0.4349 0.2923 1.4294 0.4734 0.3094
NP-020535 1.4375 0.8984 0.5769 0.5618 0.5001 0.4982 0.5227 0.3004 0.2074 0.2593 0.4923 0.0328 2.6971 2.8497 0.6838 1.5671 0.7083 0.9049 0.7028 0.5472 0.2495 0.6626 0.4973 0.2805
NP-022068 0.0036 0.0096 0.0145 0.0187 0.0080 0.0151 0.0102 0.0050 0.0230 0.0242 0.0322 0.0259 0.0054 0.0043 0.0085 0.0045 0.0113 0.0134 0.0096 0.0083 0.0114 0.0046 0.0148 0.0109
N-Pentacosanoylglycine 3.0186 0.1008 1.7375 0.1083 2.1521 0.6601 1.5537 1.4910 0.7305 0.0771 0.0798 0.0836 2.8468 1.3311 1.7501 1.9305 0.3677 0.3749 1.7014 3.6884 1.0834 4.9500 1.3709 2.3152
NPYR 3.0336 2.1269 1.7287 1.5408 1.5491 1.8224 1.5337 1.1354 1.0129 1.0785 1.5654 0.9765 2.9424 4.8916 2.2686 2.7670 1.9728 2.3568 2.3233 2.0031 1.1911 2.0672 2.7043 1.3545
N-Ribosylnicotinamide Nicotinamide riboside 0.6019 0.2328 0.1347 0.2752 0.5281 0.1241 0.0982 0.0508 0.0464 0.0603 0.0745 0.0283 0.4621 0.2096 0.1180 0.5329 0.3296 0.1611 0.1051 0.0832 0.0434 0.1030 0.0943 0.0594
N-Undecanoylglycine N-Undecanoylglycine 6.6992 5.0589 6.3291 5.3394 7.0950 4.5118 8.0778 3.8939 6.9561 4.4892 5.0195 3.7561 3.9848 6.7090 5.1148 6.3945 5.6853 6.0278 5.0825 8.1135 6.2990 8.4117 4.3487 6.0657
O-adipoylcarnitine CAR DC6:0 7.1613 5.1391 13.7190 5.8135 6.5451 7.4451 7.2873 5.2999 6.0306 5.0239 6.8289 4.8407 5.7533 6.1755 5.3545 6.0751 14.6863 8.7525 6.1262 6.6964 8.4476 14.2624 11.5139 10.3688
octinoxate 1.1209 0.7679 0.9558 0.9846 1.1102 0.9534 1.3393 1.4849 1.8266 1.2253 1.4822 1.9373 0.9015 1.1140 1.3976 4.1900 0.6233 0.9007 1.7408 1.5024 1.8390 0.8502 0.9711 2.6841
Octyl 6-O-[(4xi)-D-xylo-hexofuranosyl]-alpha-D-glucopyranoside 0.6231 0.1411 0.1005 9.1370 0.1987 0.1067 0.1629 0.9750 1.9310 1.3841 0.2150 1.6271 0.2276 0.1125 0.0809 0.1296 0.0828 0.3261 20.4333 0.6784 31.7604 0.2652 3.5327 0.7582
O-heptanoylcarnitine 0.0013 0.0014 0.0022 0.0020 0.0027 0.0020 0.0024 0.0015 0.0023 0.0022 0.0032 0.0033 0.0017 0.0028 0.0021 0.0016 0.0005 0.0023 0.0006 0.0026 0.0027 0.0010 0.0024 0.0030
O-(Hydroxy{2-hydroxy-3-[(9E)-9-octadecenoyloxy]propoxy}phosphoryl)serine 0.0065 0.0002 0.0047 0.0010 0.0040 0.0011 0.0013 0.0014 0.0006 0.0001 0.0001 0 0.0070 0.0055 0.0044 0.0160 0.0024 0.0013 0.0019 0.0025 0.0007 0.0084 0.0028 0.0020
O-Phosphorylethanolamine Phosphoethanolamine 0.0357 0.0290 0.0233 0.0259 0.0230 0.0209 0.0218 0.0158 0.0119 0.0177 0.0187 0.0100 0.0591 0.0588 0.0371 0.0621 0.0532 0.0425 0.0416 0.0492 0.0356 0.0445 0.0445 0.0435
Oxibendazole 72.8770 73.4967 83.4484 74.6317 74.4057 42.9342 68.3123 49.0071 60.8636 44.7164 52.8785 64.8760 58.1741 77.6089 51.5275 72.5974 66.6585 53.4244 48.0509 77.2615 86.8868 41.6727 72.2706 65.2687
Palmitoleicacid Palmitoleic acid 0.8348 0.2553 0.8080 0.2749 0.7573 0.7680 0.7494 0.5781 0.6192 0.1700 0.2016 0.2527 0.9172 0.6578 0.6416 0.7608 0.5334 0.5129 0.4346 0.9890 0.7692 1.6363 0.7402 1.1296
Palmitoylcarnitine CAR 16:0 0.0557 0.0013 0.0160 0.0017 0.0205 0.0058 0.0195 0.0153 0.0045 0.0009 0.0014 0.0009 0.0227 0.0179 0.0138 0.0258 0.0061 0.0014 0.0178 0.0273 0.0048 0.0515 0.0176 0.0120
Palmitoyl sphingomyelin SM 18:1;O2/16:0 0.0335 0.0011 0.0289 0.0008 0.0226 0.0071 0.0171 0.0111 0.0048 0.0002 0.0012 0.0002 0.0924 0.0364 0.0240 0.0567 0.0101 0.0071 0.0346 0.0386 0.0092 0.1433 0.0172 0.0318
pamaquine 4.0372 2.3813 4.6926 3.4475 4.7465 3.2634 3.6923 2.0912 6.3908 3.3336 3.1946 2.8053 3.2187 3.1137 2.8268 6.3345 3.1181 3.3378 5.0456 5.0371 5.6048 3.3247 3.8806 6.3146
Pamoic acid 0.0088 0.0130 0.0244 0.0134 0.0234 0.0182 0.0138 0.0141 0.0050 0.0161 0.0205 0.0131 0.0692 0.0851 0.0431 0.0366 0.0431 0.0501 0.0330 0.0290 0.0279 0.0509 0.0498 0.0450
Pantetheine4^-phosphate Pantetheine 4'-phosphate 0.1094 0.0559 0.0472 0.0600 0.0547 0.0477 0.0591 0.0190 0.0187 0.0190 0.0383 0.0113 0.1876 0.1448 0.0778 0.1306 0.0646 0.0731 0.0336 0.0412 0.0263 0.0477 0.0514 0.0327
Pantothenicacid(VitaminB5) Pantothenic acid 235.0587 112.7293 99.4181 103.6619 131.0928 73.6220 80.9081 58.5551 50.2267 54.2408 67.0502 32.6259 214.7552 182.7722 69.0580 208.9677 103.8198 104.2779 56.9143 89.4162 41.9915 106.1929 77.6571 48.9254
paracetamol sulfate Paracetamol sulfate 0.0015 0.0011 0.0012 0.0011 0.0010 0.0012 0.0009 0.0005 0.0004 0.0009 0.0017 0.0004 0.0025 0.0026 0.0019 0.0020 0.0020 0.0019 0.0024 0.0021 0.0013 0.0021 0.0020 0.0021
PC 0.2339 0.0182 0.1201 0.0105 0.0822 0.0611 0.0662 0.0548 0.0391 0.0058 0.0090 0.0057 0.6582 0.2103 0.0657 0.2019 0.0424 0.0216 0.1302 0.1359 0.0425 0.3103 0.0693 0.1024
PC(o-16:1(9Z)/20:0) PC o-16:1(9Z)/20:0* 0.0041 0.0003 0.0048 0.0004 0.0040 0.0010 0.0036 0.0029 0.0012 0.0002 0.0004 0.0002 0.0017 0.0023 0.0029 0.0072 0.0011 0.0010 0.0034 0.0047 0.0027 0.0216 0.0022 0.0053
PEG-4 143.1190 163.3402 217.5145 250.4771 167.3301 158.1993 202.4589 228.9283 253.2825 163.6906 172.5088 177.0115 177.9469 221.6210 189.4219 261.3124 175.1624 149.6129 195.2806 283.7531 213.1323 260.4093 233.0574 195.5662
PEG n10 4.2461 4.5401 4.4264 24.5748 3.3280 3.1164 3.5985 4.8168 5.2444 5.1421 3.7057 5.7979 3.5819 2.9858 3.3379 3.2204 3.2667 6.0225 21.9403 6.8656 33.2750 4.8081 13.1297 6.5125
PEG n11 1.2008 2.6450 1.6335 16.6379 2.4089 1.5897 1.5866 2.3973 3.7196 3.1057 1.9389 3.5476 1.8155 1.9336 2.1005 1.7497 1.0805 3.8122 19.3440 4.7978 26.1942 1.9512 6.9080 3.7421
PEG n5 Pentaethylene glycol 63.9294 34.4343 67.4618 76.4059 58.8554 38.4020 56.6452 60.2752 24.4396 58.2131 28.5035 32.6072 56.8530 44.5208 32.5088 54.3862 37.0476 49.8288 63.0937 65.4197 38.8973 51.1600 75.5820 48.7297
PEG n6 75.7026 64.4705 147.4141 128.1792 62.4926 59.1476 76.2901 78.4480 126.3854 68.1952 78.5734 90.5662 91.6521 95.2989 78.7554 120.4499 70.0203 94.5391 110.1464 88.5009 114.7619 84.7727 118.4725 76.5349
PEG n7 38.1420 30.5814 65.3463 98.0886 28.9409 24.9790 32.3299 42.1421 74.2693 34.9450 37.9442 46.9240 45.7269 48.3752 44.8169 61.1810 37.4966 48.2297 77.2433 48.8999 96.8239 36.7437 67.6333 41.2598
pentamidine Pentamidine 1.2767 0.6056 2.5896 1.1637 1.2508 1.4745 1.2654 0.9031 1.3035 0.5454 0.7355 1.1545 0.9282 1.3881 0.8063 1.9458 2.5969 1.5172 0.7730 0.8164 1.3610 3.7037 0.8978 1.8420
persin 0.4895 0.1018 0.6773 0.1436 0.5558 0.3108 0.4605 0.6515 0.3090 0.0911 0.1024 0.1126 0.9028 0.4850 0.6941 0.6576 0.3533 0.1493 0.4859 1.0097 0.2312 1.2669 0.7434 0.6993
phe-ile Phe-Ile 0.0027 0.0022 0.0019 0.0008 0.0041 0.0028 0.0033 0.0008 0.0027 0.0005 0.0045 0.0006 0.0079 0.0046 0.0098 0.0098 0.0135 0.0105 0.0067 0.0078 0.0060 0.0028 0.0047 0.0035
Phenazone 4.2463 1.9533 3.3394 1.9695 4.3712 1.8732 3.0743 2.3904 3.3040 1.5100 1.7673 1.6772 2.6362 3.7068 3.6725 4.2140 2.5942 2.6316 2.8790 7.0464 5.1236 2.8929 3.6337 2.1333
Phenethyl isothiocyanate 2153.2592 1844.6241 2141.2334 1820.1811 2191.2583 1290.5154 2441.5068 1592.3943 2047.2666 1212.8056 1449.3437 1775.8748 1622.8229 2644.3736 1913.9581 2187.7289 1689.9017 1620.2929 1482.5370 2534.6989 2390.0748 1599.2784 2186.8919 1670.2575
Phenol Phenol 0.9972 0.9096 2.3654 0.8514 0.9166 0.7822 0.9933 0.2224 0.9307 0.7464 0.6731 0.8948 0.7976 1.3096 0.7030 0.4458 0.5509 1.2715 0.7508 1.1715 2.9965 1.5054 0.8257 0.9984
Phosphonomycin Fosfomycin 0.3906 0.3167 0.2085 0.2413 0.2044 0.1966 0.1452 0.1361 0.0678 0.1016 0.2234 0.0159 0.5324 0.7132 0.3937 0.6821 0.4815 0.4008 0.4164 0.2890 0.1224 0.3724 0.2744 0.1357
Pimilprost 0.8083 0.1023 0.2274 6.5888 0.1769 0.0883 0.1572 0.0879 0.1169 0.0742 0.0838 0.1083 0.2582 0.1357 0.1551 0.1185 0.1131 0.2454 0.1815 0.2740 0.1366 0.3447 4.8880 1.4852
Piperidine Piperidine 0.1042 0.0973 0.0894 0.5076 0.0826 0.0888 0.0836 0.0861 0.0677 0.0687 0.1203 0.0671 0.0879 0.0918 0.0937 0.1029 0.0937 0.1820 0.0635 0.0798 0.0645 0.1053 0.2058 0.1168
Platelet-activating factor 0.2472 0.0114 0.0869 0.0058 0.0449 0.0359 0.0551 0.0240 0.0157 0.0002 0.0054 0.0001 0.2340 0.1764 0.0536 0.2324 0.0496 0.0211 0.1076 0.0738 0.0209 0.3771 0.0415 0.0626
Polaris 0.0004 0.0008 0.0010 0.0009 0.0006 0.0006 0.0004 0.0004 0.0006 0.0010 0.0014 0.0008 0.0003 0.0003 0.0005 0.0005 0.0006 0.0008 0.0004 0.0005 0.0008 0.0008 0.0005 0.0007
Pregabalin Pregabalin 0.1128 0.1817 0.1740 0.1019 0.2013 0.0953 0.1874 0.1537 0.2071 0.1979 0.2882 0.2194 0.0816 0.2013 0.0842 0.2069 0.1666 0.1824 0.1801 0.1679 0.1963 0.1191 0.1646 0.1698
prenylquinone 0.4893 0.5445 2.1761 0.6244 0.6516 0.9400 0.9134 0.5156 0.6947 0.4158 0.6116 0.5053 0.6918 0.5253 0.4005 0.8851 1.3704 1.6345 0.7589 1.1626 0.7209 2.9778 1.6876 1.3239
Procollagen5-(D-galactosyloxy)-L-lysine Galactosylhydroxylysine 0.0022 0.0018 0.0018 0.0018 0.0016 0.0012 0.0014 0.0004 0.0006 0.0010 0.0011 0.0004 0.0063 0.0064 0.0035 0.0051 0.0042 0.0049 0.0039 0.0038 0.0026 0.0039 0.0030 0.0034
Pro-Hyp 0.0719 0.0541 0.0448 0.0604 0.0502 0.0407 0.0456 0.0182 0.0268 0.0204 0.0410 0.0087 0.2444 0.1757 0.0972 0.1549 0.0949 0.1250 0.0989 0.0824 0.0579 0.0812 0.0721 0.0563
Propionylcarnitine CAR 3:0 6.7319 4.7381 5.9328 5.6731 3.3923 3.7829 5.6838 4.7832 3.8038 4.0352 3.9651 0.6421 15.1055 10.8176 4.7428 8.5946 3.8936 4.0491 6.4144 5.8880 3.6968 7.5518 4.2386 3.2498
Propofol Propofol 0.0010 0.0009 0.0010 0.0002 0.0008 0.0008 0.0004 0.0006 0.0007 0.0008 0.0005 0.0009 0.0008 0.0008 0.0005 0.0009 0.0009 0.0008 0.0002 0.0006 0.0007 0.0009 0.0008 0.0008
Pro-Pro Pro-Pro 0.0242 0.0134 0.0111 0.0120 0.0075 0.0112 0.0107 0.0061 0.0042 0.0051 0.0110 0.0025 0.0476 0.0500 0.0168 0.0299 0.0152 0.0209 0.0229 0.0161 0.0079 0.0264 0.0183 0.0141
Propyl (9E)-12-hydroxy-9-octadecenoate 19.1586 1.9742 12.5633 1.0066 10.3151 6.0704 10.4509 5.3019 3.8931 0.0372 0.7544 0.0374 11.7311 10.3834 7.3083 20.7154 3.9759 3.0552 10.5716 11.9121 5.0847 30.4338 9.8130 7.5259
p-Xylene p-Xylene 4.0519 3.0336 3.9283 3.2938 3.5314 5.1823 4.1297 2.8207 2.6387 1.6357 2.9888 1.9024 4.5183 3.9920 2.9092 3.8337 5.0755 6.3185 3.4213 3.9822 7.1013 14.8908 3.5004 6.8972
Pyrovalerone 0.1023 0.0540 0.0540 0.0583 0.0380 0.0368 0.0356 0.0229 0.0196 0.0383 0.0364 0.0119 0.4194 0.3387 0.0699 0.1492 0.0768 0.0741 0.0979 0.0656 0.0395 0.1226 0.0656 0.0574
(R)-2-Methylimino-1-phenylpropan-1-ol (R)-2-Methylimino-1-phenylpropan-1-ol 1.6688 2.0122 2.4487 1.6809 2.3279 2.3176 2.3129 1.6177 1.8172 1.7412 2.0822 2.7074 1.6906 2.2028 1.7522 1.7516 2.3806 2.0023 2.2731 2.4656 2.0110 3.9913 2.1528 1.7152
(R)-3-Amino-2-methylpropanoate 0.4001 0.0790 0.0484 0.3253 0.1116 0.0426 0.0275 0.0275 0.0181 0.0224 0.0493 0.0132 0.1251 0.0776 0.0342 0.0946 0.0597 0.0846 0.0348 0.0300 0.0210 0.0492 0.1439 0.0370
(R)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 0.0613 0.0582 0.0544 0.0467 0.0302 0.0663 0.0332 0.0205 0.0218 0.0410 0.0590 0.0135 0.1856 0.2049 0.0632 0.0781 0.0639 0.0664 0.0671 0.0647 0.0545 0.1547 0.0642 0.0642
(R)-4-Dehydropantoate 1.3426 1.1631 1.4244 1.1117 1.4543 0.8059 0.7256 0.7770 1.3877 0.4296 1.0759 0.4324 0.7916 0.9115 1.4697 0.8685 1.2878 1.1115 1.0614 1.1321 1.1151 3.0643 0.9932 1.0466
(R)-Acetoin 11.1526 14.9001 18.7517 20.6138 16.5150 13.6609 12.7423 13.9713 19.3811 14.9024 15.0701 16.7393 11.5897 20.9753 18.9616 20.2503 17.1555 11.5067 17.3319 21.9298 20.6831 23.1701 16.0803 16.7482
RI2735000 1.4975 2.1929 14.8622 1.3407 2.0237 1.1885 1.5888 1.6882 1.1320 0.8707 1.5121 1.1422 2.0180 2.8245 1.0565 1.3696 1.6076 1.7857 1.1571 2.6883 1.3997 3.1953 1.9260 1.8606
RiboflavinB2 Riboflavin 0.0075 0.0034 0.0027 0.0028 0.0032 0.0026 0.0020 0.0011 0.0010 0.0013 0.0028 0.0005 0.0191 0.0098 0.0030 0.0068 0.0048 0.0040 0.0041 0.0023 0.0009 0.0046 0.0020 0.0020
Rishitin Rishitin 2.4941 1.0433 2.2352 1.9041 2.0074 4.5529 4.3131 1.1783 1.2330 1.0578 1.0464 1.1162 4.4390 3.4227 1.7062 1.9748 4.4112 4.2054 1.8382 2.2370 4.8433 14.2052 2.1475 5.7733
(R)-Lactaldehyde 0.2184 0.1823 0.3733 0.2066 0.3803 0.4499 0.2443 0.1546 0.2036 0.1035 0.2660 0.2517 0.1899 0.3438 0.2007 0.2152 0.3551 0.3876 0.3196 0.2837 0.6537 1.2406 0.2231 0.5400
Ro 20-1724 0.0030 0.0014 0.0022 0.0024 0.0025 0.0013 0.0020 0.0003 0.0015 0.0003 0.0033 0.0006 0.0129 0.0074 0.0075 0.0082 0.0123 0.0097 0.0044 0.0061 0.0039 0.0025 0.0023 0.0030
(R)-Pantolactone Pantolactone 3.2047 2.5921 4.9480 3.0704 3.2316 6.3326 2.8959 2.8751 2.9536 1.4478 1.6340 1.5551 2.9662 2.7091 3.4263 3.4416 6.0544 5.7752 2.0296 2.5986 7.5413 24.2359 3.6042 12.9738
(S)-(+)-2-Amino-1-propanol 1.1600 1.2463 1.1861 1.0338 1.1272 1.0613 1.1251 0.7962 0.7479 0.7547 0.7549 0.5602 1.9116 2.5616 1.1110 1.2659 1.1416 1.2330 1.2554 1.0303 0.8842 1.2302 1.1664 0.9307
(S)-4-Amino-5-oxopentanoate 0.0964 0.4344 0.3469 0.1531 0.0764 0.2145 0.1640 0.1407 0.1051 0.1280 0.2200 0.0505 1.3093 0.7281 0.2671 0.3236 0.2643 0.3081 0.3630 0.4452 0.3368 0.7164 0.2979 0.2219
S-Adenosylhomocysteine S-Adenosylhomocysteine 4.2729 2.4746 2.2578 2.0899 1.7770 1.3270 1.3886 0.8715 0.5798 1.2151 1.2313 0.3383 5.1412 5.4332 1.5374 3.5889 1.9328 1.6029 1.9952 1.4504 0.8294 1.7406 1.5641 0.7786
Salsolinol Salsolinol 6.7974 4.2336 2.8166 1.9258 6.3208 4.7275 3.4629 2.1465 1.8902 1.7018 3.0437 2.2609 16.1927 22.1671 16.8001 24.5081 31.1385 20.8620 13.0380 24.4614 12.8756 20.8870 16.3287 12.8651
Sedanolide 5.9270 4.2402 10.3356 7.0291 5.5193 15.2725 7.1136 4.9025 5.6139 1.4544 4.3822 1.0996 7.6132 10.0585 6.1495 6.5140 10.3762 14.7453 6.4502 6.5345 21.1605 52.7819 5.3085 22.3179
Selsun 0.6308 0.7084 0.6118 0.6752 0.6263 1.1037 0.6089 0.5379 0.5636 0.5929 0.6484 0.5615 0.6716 0.7940 0.6304 0.6398 0.6133 0.6915 0.6102 0.6127 0.6429 0.8857 0.6654 0.6265
ser-arg Ser-Arg 0.0110 0.0050 0.0069 0.0085 0.0056 0.0039 0.0024 0.0014 0.0006 0.0027 0.0029 0.0004 0.0351 0.0435 0.0117 0.0277 0.0206 0.0133 0.0112 0.0144 0.0064 0.0107 0.0110 0.0093
ser-asp Ser-Asp 0.0293 0.0099 0.0133 0.0165 0.0102 0.0101 0.0089 0.0030 0.0025 0.0037 0.0065 0.0023 0.0718 0.0466 0.0198 0.0503 0.0291 0.0229 0.0100 0.0198 0.0071 0.0138 0.0070 0.0079
ser-gln Ser-Gln 0.0376 0.0051 0.0075 0.0096 0.0062 0.0074 0.0031 0.0018 0.0017 0.0086 0.0046 0.0016 0.0917 0.0661 0.0085 0.0171 0.0099 0.0170 0.0089 0.0082 0.0141 0.0163 0.0097 0.0049
SL3675000 0.3752 0.1875 0.4078 0.2171 0.5828 0.2942 0.4757 0.3906 0.2005 0.1257 0.1840 0.1888 1.2643 0.4233 0.6985 1.1485 0.3556 0.6894 0.6058 0.8834 0.2315 1.4172 0.4830 0.8626
S-Lactoylglutathione S-Lactoylglutathione 0.4567 0.4292 0.2206 0.2038 0.2012 0.1794 0.0919 0.0436 0.0150 0.0599 0.1368 0.0021 0.5999 1.6836 0.0761 0.4040 0.2527 0.1266 0.3496 0.0804 0.0217 0.4247 0.1190 0.0505
sn-glycero-3-Phosphocholine sn-Glycero-3-phosphocholine 110.4737 66.9891 55.1033 79.4274 68.1328 45.8375 34.6472 31.5576 13.0202 17.8643 45.5772 3.2109 308.4306 353.0070 246.8634 372.1183 265.2655 169.7611 116.9080 104.9716 55.5375 130.2413 111.7442 67.7514
sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 6.3590 4.9562 3.9974 4.3557 3.8064 3.1549 2.8905 2.2852 1.3805 2.0020 3.5921 0.3936 7.4613 9.0270 5.7240 9.5041 6.3776 6.4476 5.1536 4.7201 2.6170 5.7980 4.3554 2.9004
[ST(2:0)]5alpha-cholesta-8_24-dien-3beta-ol Zymosterol 0.5498 0.1419 1.5924 0.1585 0.2557 0.4919 1.1575 1.4812 0.8236 0.0836 0.0971 0.1043 0.7512 0.8619 0.2784 1.5263 0.5112 0.4001 0.1994 2.7977 0.4915 0.7041 1.2140 1.1083
[ST(2:0)](5Z_7E)-(3S)-9_10-seco-5_7_10(19)-cholestatriene-3_25-diol 25-Hydroxyvitamin D3 1.3484 0.0729 0.5996 0.1084 0.5221 0.2078 0.2470 0.1822 0.1771 0.0649 0.0759 0.0775 1.0672 0.8309 0.6806 1.3157 0.3164 0.1940 0.7862 1.1987 0.2315 1.9391 0.9655 0.4344
Stachydrine Stachydrine 0.2761 0.2362 0.2265 0.2103 0.2774 0.1593 0.2149 0.1408 0.1751 0.1658 0.2515 0.1245 0.4226 0.4583 0.2746 0.3433 0.3337 0.2804 0.2968 0.3171 0.2555 0.3473 0.2830 0.3063
Stiripentol 0.6653 0.5519 1.3050 0.6949 0.5922 0.7389 0.6844 0.5149 0.3062 0.1945 0.5691 0.4926 0.4227 0.8014 0.5352 0.5773 1.9891 1.8477 0.9326 0.5795 1.5860 6.5300 0.7209 1.9803
Styrene Styrene 199.0308 207.8851 258.3655 209.0766 261.9489 214.3172 273.5707 219.9062 219.6406 1232.5984 191.6509 1598.9943 202.8910 209.9280 211.0204 237.6761 207.2427 203.4002 225.3153 282.7122 287.8271 490.4939 240.3950 201.4507
Subaphyllin 0.0016 0.0013 0.0014 0.0009 0.0022 0.0010 0.0013 0.0007 0.0007 0.0009 0.0013 0.0003 0.0150 0.0053 0.0073 0.0101 0.0131 0.0081 0.0030 0.0067 0.0023 0.0034 0.0010 0.0014
Succinyl proline Succinylproline 1.6472 1.4043 0.9199 0.9567 0.6827 0.7434 0.6730 0.3649 0.1767 0.3876 0.6358 0.0112 0.9636 1.6131 0.5528 1.5315 0.7628 0.8770 0.6053 0.4293 0.0975 0.3559 0.2949 0.1460
Sulcatone Sulcatone 2.7969 2.5488 1.3756 3.7666 1.3341 5.8965 2.6007 0.7965 4.2804 2.8267 3.1008 4.1048 5.4803 3.1591 3.4685 4.2093 5.8817 8.0366 3.0357 1.1723 8.4568 20.1640 4.4483 7.8180
Sulfanilic acid 0.1280 0.1609 0.1081 0.0824 0.1076 0.1173 0.0708 0.0731 0.0557 0.0625 0.1610 0.0209 0.0632 0.0808 0.0685 0.1008 0.0946 0.0988 0.0370 0.0593 0.0299 0.0165 0.0579 0.0341
syringol 6.3609 5.8210 7.1431 6.9581 8.8220 8.7907 7.5826 5.7331 7.6375 2.9017 6.7866 3.5687 4.7672 4.7668 6.2647 4.9441 8.0884 2.2874 2.7507 9.3191 9.9412 15.6504 6.7360 6.4320
Taurine Taurine 23.5583 16.6175 13.6347 14.2427 13.1808 10.7375 10.7873 7.9634 6.1635 7.1453 11.1413 2.7427 61.4529 55.4076 13.7672 26.2319 14.4269 15.0088 13.4503 10.9703 7.9322 20.8141 10.1985 7.9435
Telcagepant 0.0011 0.0011 0.0016 0.0033 0.0017 0.0009 0.0010 0.0020 0.0008 0.0008 0.0010 0.0024 0.0011 0.0009 0.0016 0.0012 0.0018 0.0004 0.0015 0.0008 0.0016 0.0015 0.0011 0.0008
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate 0.0063 0.0028 0.0031 0.0042 0.0073 0.0039 0.0031 0.0009 0.0009 0.0016 0.0040 0.0018 0.0086 0.0096 0.0073 0.0099 0.0092 0.0089 0.0077 0.0091 0.0059 0.0064 0.0086 0.0076
Tetradecanedioicacid Tetradecanedioic acid 2.4783 0.2128 2.1897 0.8891 1.5720 1.0373 1.4680 1.8584 0.0942 0.1275 0.1611 0.1244 2.3211 1.4006 1.9332 2.2599 0.7291 1.0462 1.4090 3.2709 1.1462 2.2787 1.4341 1.8720
tetrahomomethionine Tetrahomomethionine 0.0642 0.1028 0.1135 0.0065 0.0887 0.0857 0.0064 0.0924 0.0070 0.0063 0.0725 0.0072 0.0460 0.0093 0.0076 0.0430 0.0435 0.0851 0.0081 0.0075 0.0073 0.0125 0.1205 0.0079
Tetramethylene sulfoxide 40.8742 35.6842 42.3962 31.2864 42.4034 24.6318 48.5673 38.2349 43.3605 25.3282 29.2972 36.4139 33.3602 36.1215 38.2081 45.0364 33.2248 29.6580 38.8138 52.1905 39.3893 23.5910 40.1193 28.5344
Theogallin Theogallin 0.0517 0.0562 0.0468 0.0631 0.0543 0.0450 0.0501 0.0499 0.0432 0.0496 0.0571 0.0188 0.0776 0.0579 0.0480 0.0665 0.0781 0.0793 0.0652 0.0726 0.0617 0.0824 0.0521 0.0563
Thiamine Thiamine 0.7091 0.3890 0.2408 0.4435 0.2792 0.2078 0.1852 0.0881 0.1212 0.1455 0.2096 0.0473 1.2675 0.9053 0.2914 0.7045 0.5736 0.4434 0.4493 0.2773 0.1511 0.4261 0.2464 0.1831
thr-arg Thr-Arg 0.1586 0.0858 0.1168 0.1233 0.1145 0.0829 0.0301 0.0176 0.0244 0.0215 0.0390 0.0112 0.5185 0.8191 0.2097 0.4132 0.2572 0.2218 0.2975 0.2458 0.0952 0.2093 0.2230 0.1590
Threonylserine Thr-Ser 0.0408 0.0245 0.0269 0.0377 0.0472 0.0209 0.0147 0.0074 0.0032 0.0072 0.0164 0.0022 0.1342 0.1096 0.0905 0.2363 0.1370 0.0706 0.0353 0.0489 0.0409 0.0479 0.0423 0.0305
Tiagabine Tiagabine 1.1190 0.8863 0.8101 0.9725 0.9817 0.2538 0.7523 1.0872 0.5521 0.8258 0.6869 0.8353 1.0241 1.2037 0.8394 0.5970 0.5773 0.7218 0.8263 0.6479 0.5286 0.7860 0.5962 0.7173
Tiglylcarnitine CAR 4:1;2Me 0.9764 0.8003 2.3716 1.5476 1.0450 6.0615 1.0481 0.5291 0.8702 0.8228 1.1391 0.7714 1.7064 1.6644 0.7490 0.6386 4.1413 5.4937 0.7444 0.5802 7.9493 17.6899 1.1009 8.4027
TO0127900 0.1662 0.1529 0.1791 0.1667 0.1770 0.1624 0.1765 0.1859 0.1864 0.1870 0.2665 0.1988 0.2624 0.1603 0.1533 0.1867 0.1661 0.1509 0.2078 0.2053 0.2030 0.2126 0.1609 0.1673
trans-3-Indoleacrylic acid trans-3-Indoleacrylic acid 0.4231 0.2940 0.3039 0.2755 0.2653 0.2540 0.2235 0.1137 0.0927 0.2523 0.3771 0.1049 0.8288 0.8685 0.4290 0.5947 0.4775 0.4180 0.5999 0.4731 0.2587 0.6036 0.4811 0.3892
Triethanolamine Triethanolamine 2.2252 2.7426 1.1199 5.0208 1.9087 2.5873 3.0230 1.3195 1.5777 1.2048 1.8353 1.3627 2.5637 2.6044 1.8810 0.9599 1.6115 2.1054 3.2296 1.9991 4.3127 1.3264 2.6696 1.4754
Trigonelline Trigonelline 17.9502 13.3251 14.8996 15.5262 12.8774 9.4458 10.1217 6.6816 5.0585 8.9767 10.7903 3.9850 35.6437 44.4145 18.8537 27.8110 21.3255 21.0421 25.6168 17.5432 12.9291 27.9814 20.9162 16.8133
Triisopropanolamine 0.0009 0.0009 0.0019 0.0167 0.0010 0.0014 0.0013 0.1191 0.0826 0.1141 0.1353 0.0861 0.0010 0.0013 0.0031 0.0078 0.0018 0.0041 0.0997 0.1556 0.1392 0.0154 0.0054 0.0289
trimethadione Trimethadione 0.0066 0.0043 0.0043 0.0055 0.0051 0.0036 0.0028 0.0023 0.0024 0.0016 0.0048 0.0015 0.0127 0.0152 0.0107 0.0131 0.0156 0.0107 0.0063 0.0074 0.0040 0.0091 0.0099 0.0065
Triphenyl phosphate Triphenyl phosphate 0.0947 8.8880 7.0132 7.4079 6.8583 7.2988 7.9587 7.1415 6.4342 5.8479 8.0873 4.8935 0.4850 0.5006 0.7498 1.2554 0.7213 0.8150 1.8966 2.0888 1.4526 2.3797 2.6997 1.5436
Tris(hydroxymethyl)aminomethane 2-Amino-2-methylol-propane-1,3-diol 15.2429 5.8166 5.8661 155.3228 10.5746 5.5479 6.7006 7.8998 6.4493 6.3138 6.1933 5.1898 12.4054 6.4679 10.3245 4.1574 4.2338 36.0669 19.0153 9.3755 8.7119 14.6681 73.8642 35.9154
Tropinone Tropinone 4.4874 3.1444 4.0939 2.9274 3.2366 2.5422 4.0552 2.6326 4.4346 1.8967 2.3601 2.6191 2.4079 3.0734 2.6414 4.2776 2.4664 2.8170 2.6479 5.0092 3.0450 4.7129 2.7152 2.3298
Troxipide Troxipide 0.0016 0.0008 0.0013 0.0003 0.0026 0.0012 0.0010 0.0003 0.0002 0.0002 0.0009 0.0002 0.0051 0.0040 0.0036 0.0055 0.0043 0.0042 0.0019 0.0044 0.0039 0.0012 0.0024 0.0024
Tyramineglucuronide Coenzyme Q10 0.0028 0.0043 0.0043 0.0046 0.0032 0.0037 0.0014 0.0031 0.0022 0.0028 0.0050 0.0005 0.0059 0.0064 0.0030 0.0040 0.0020 0.0022 0.0025 0.0024 0.0007 0.0033 0.0026 0.0019
UDP-N-acetyl-D-mannosamine 0.0005 0.0003 0.0003 0.0006 0.0002 0.0004 0.0002 0.0004 0.0002 0.0006 0.0005 0.0001 0.0015 0.0011 0.0004 0.0008 0.0006 0.0003 0.0004 0.0007 0.0010 0.0008 0.0008 0.0005
undecenal 0.8150 0.7579 1.3893 0.7494 0.8515 1.5768 0.8380 0.5767 0.8306 0.5769 0.5618 0.7387 1.1012 0.7359 0.6080 0.8691 1.4276 1.4456 0.7479 0.5014 3.0073 4.7391 0.8469 1.9336
Uracil Uracil 0.0464 0.0685 0.0512 0.0561 0.0345 0.0252 0.0426 0.0334 0.0321 0.0571 0.1050 0.0245 0.0531 0.0674 0.0566 0.0523 0.0476 0.0575 0.0485 0.0402 0.0364 0.0499 0.0489 0.0414
Uracil - C13_N15 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25
Urocanic acid Urocanic acid 91.4876 71.6946 57.8118 112.7439 51.1900 41.3381 81.9778 80.2265 27.9557 84.6051 63.8527 37.3791 105.4211 97.5080 52.3854 109.3288 61.3860 70.3715 93.5107 96.9351 88.8667 109.5195 59.5495 72.7672
val-arg Val-Arg 0.1542 0.1115 0.1523 0.1658 0.1919 0.1080 0.0855 0.0375 0.0243 0.0547 0.0834 0.0095 0.4548 0.6795 0.2952 0.3661 0.5063 0.4498 0.4881 0.3925 0.2191 0.3793 0.4392 0.2600
Valeroidine Valeroidine 0.0013 0.0014 0.0022 0.0020 0.0028 0.0020 0.0025 0.0015 0.0023 0.0022 0.0033 0.0033 0.0017 0.0028 0.0021 0.0016 0.0005 0.0023 0.0024 0.0026 0.0027 0.0010 0.0025 0.0031
Valerophenone;1-phenylpentan-1-one 1.4674 0.5310 2.0907 2.4676 3.7701 4.5921 2.0928 0.8123 1.1582 0.6361 2.4716 0.8855 2.1804 2.6568 1.7335 1.6449 2.9406 5.0182 2.9773 3.1748 4.9178 12.4891 3.1315 4.7471
Val-Leu Val-Leu 0.0036 0.0020 0.0029 0.0039 0.0042 0.0029 0.0034 0.0007 0.0028 0.0007 0.0035 0.0023 0.0196 0.0092 0.0096 0.0154 0.0236 0.0130 0.0121 0.0109 0.0061 0.0057 0.0042 0.0062
Valylvaline Val-Val 0.0428 0.0477 0.0397 0.0405 0.0172 0.0436 0.0278 0.0251 0.0177 0.0174 0.0345 0.0087 0.0983 0.1181 0.0712 0.0896 0.0727 0.0656 0.0574 0.0572 0.0386 0.0694 0.0493 0.0285
Xanthine Xanthine 0.0777 0.1102 0.0517 0.0993 0.0654 0.0618 0.0450 0.0317 0.0319 0.0764 0.1291 0.0394 0.1191 0.1044 0.0582 0.0823 0.1221 0.0877 0.0636 0.0583 0.0418 0.0525 0.0617 0.0545
Xanthommatin Xanthommatin 0.0361 0.0449 0.0270 0.0263 0.0285 0.0240 0.0061 0.0049 0.0038 0.0138 0.0145 0.0029 0.0580 0.1513 0.0070 0.0285 0.0181 0.0082 0.0393 0.0059 0.0041 0.0823 0.0179 0.0114
Xanthosine Xanthosine 0.0104 0.0058 0.0050 0.0074 0.0073 0.0036 0.0040 0.0031 0.0015 0.0041 0.0073 0.0019 0.0184 0.0117 0.0055 0.0152 0.0166 0.0079 0.0089 0.0071 0.0036 0.0073 0.0086 0.0065
Xanthoxin;Methoxsalen 4.5422 1.7065 4.6390 1.4486 2.2458 3.6417 6.1669 2.3097 1.7408 1.4546 3.0737 1.4318 3.9492 2.9753 2.1756 3.1737 2.8722 10.5418 3.4647 5.8146 4.3891 16.2672 3.1424 5.9588
XJ5104000 0.0061 0.0003 0.0116 0.0137 0.0128 0.0061 0.0143 0.0108 0.0119 0.0004 0.0005 0.0002 0.0035 0.0004 0.0162 0.0002 0.0115 0.0131 0.0026 0.0114 0.0053 0.0004 0.0092 0.0072
XJ6642800 2.6569 1.4707 3.4936 1.2953 2.6903 2.0229 3.3338 3.5346 3.4042 0.8693 0.9377 2.7275 2.2179 0.0487 2.6810 3.1396 2.4741 2.0546 2.5958 4.6378 3.8795 2.3260 2.9148 3.7433
YD4593000 0.2639 0.2168 0.3446 0.4140 0.2634 0.7044 0.3330 0.1919 0.3141 0.1374 0.1857 0.2011 0.6359 0.3132 0.2369 0.2664 0.6433 0.6049 0.3345 0.3327 0.9578 1.3952 0.4690 1.1421
(Z_E)-9_12-Tetradecadienyl acetate 1.1625 0.5544 1.1770 1.1645 0.9959 1.0481 0.9620 0.8688 0.8290 0.5673 0.6016 0.7374 0.8389 1.0357 0.9337 1.0589 1.0069 1.6989 0.6666 0.8768 1.1171 2.3100 1.3336 1.3779
zinniol 3.7382 2.9363 5.5782 2.6509 2.8946 3.7309 6.5425 2.7163 2.6530 2.1274 2.4397 0.6276 3.8138 3.0568 2.1042 3.6096 5.9288 7.5339 3.3140 5.1582 5.4347 15.9422 3.9852 5.6760
Zonisamide Zonisamide 10.4649 3.9787 1.9038 3.0434 1.1320 1.3558 2.0727 1.1373 8.4309 6.9269 0.9918 1.5414 0.9784 1.3413 1.5038 17.9262 1.4681 0.9700 22.5647 1.3611 1.3845 1.9077 1.3897 1.2324