Metabolite_name RefMet_name Right_Retina_1_POS Right_Retina_2_POS Right_Retina_3_POS Left_Retina _1_POS Left_Retina_2_POS Left_Retina_3_POS Right_Retina_4_POS Right_Retina_5_POS Right_Retina_6_POS Left_Retina_4_POS Left_Retina_5_POS Left_Retina_6_POS
Factors - Sex:Female | Treatment:Injured Sex:Female | Treatment:Injured Sex:Female | Treatment:Injured Sex:Female | Treatment:Uninjured Sex:Female | Treatment:Uninjured Sex:Female | Treatment:Uninjured Sex:Male | Treatment:Injured Sex:Male | Treatment:Injured Sex:Male | Treatment:Injured Sex:Male | Treatment:Uninjured Sex:Male | Treatment:Uninjured Sex:Male | Treatment:Uninjured
10-Nitrolinoleate 10-Nitrolinoleic acid 0.0059 0.0062 0.0069 0.0048 0.0059 0.6840 0.0058 0.0078 0.0074 0.0053 0.0069 0.0063
1-[1-(1-Benzothiophen-2-yl)ethyl]urea 12.0245 16.1898 10.4591 10.0525 10.2756 4.3952 4.0549 6.1256 10.3227 9.6831 15.8592 5.7706
11-Aminoundecanoic acid 11-Aminoundecanoic acid 2.9783 2.6795 2.6096 1.6533 1.6548 2.1050 1.8760 2.1628 2.0024 2.0430 2.4155 2.3473
1_2-Diaminobenzene 0.1793 0.1739 0.2049 0.1440 0.1587 0.2030 0.1460 0.1702 0.1283 0.1392 0.1278 0.1203
"1_2-dihydroxyheptadec-16-yn-4-yl acetate" 0.3497 1.1945 0.6336 1.3149 2.2245 0.7560 0.4780 2.0452 1.6999 1.0123 1.2453 1.3506
"12H-benzo[5_6][1_4]oxazino[2_3-b]quinoxaline" 0.5643 0.5023 0.3915 0.4257 0.1618 0.3439 0.0309 0.0315 0.0480 0.0385 0.0279 0.0478
1-(2-pyridin-2-yldiazenyl)-2-naphthol 0.1070 0.1169 0.1273 0.0675 0.0956 0.0992 0.0936 0.1946 0.1446 0.1096 0.1090 0.0878
"13_14-dihydro-15-keto-tetranor Prostaglandin F1?" 0.4941 0.5017 0.5092 0.3941 0.2940 31.3248 0.3544 0.3906 0.5301 0.3137 0.3912 0.2214
"1-[3_4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-$l^{1}-selanyl-5-(methylaminomethyl)pyrimidin-4-one" 0.0025 0.0037 0.0014 0.0030 0.0040 0.0030 0.0020 0.0018 0.0023 0.0030 0.0024 0.0037
1_3_5-trimethoxybenzene 22.0913 10.6295 8.0528 3.5556 8.8292 6.5339 9.1334 6.9677 17.2248 7.9205 8.1094 3.2279
"1_3_7-Octanetriol" 1,3,7-Octanetriol 7.8428 6.7806 67.6509 11.0732 7.2674 6.3271 7.1310 5.9891 13.5070 53.9027 8.4932 5.4788
1-[(3-Carboxypropyl)amino]-1-deoxy-beta-D-fructofuranose 1.2461 1.6981 2.0650 0.8556 0.8843 1.4887 1.8598 2.6229 1.9206 1.2147 1.6542 1.0983
"1_3-Dimethyl-6-morpholino-1_2_3_4-tetrahydropyrimidine-2_4-dione" 0.1856 0.2059 0.2138 0.1351 0.1836 0.1569 0.2306 0.2624 0.1672 0.1110 0.1773 0.1246
"1_3-Dipropylxanthine" 0.0634 0.0270 0.0476 0.0082 0.0050 0.0161 0.0146 0.0434 0.0068 0.0062 0.0110 0.0045
1-{4-[(3S)-3-(1-Methyl-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-1-piperidinyl}ethanone 4.2961 3.9204 1.7076 1.2177 1.8287 2.0347 2.1816 3.7769 4.1926 0.1638 2.4499 0.5701
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid 0.2820 0.3698 0.5378 0.1712 0.2224 0.3570 0.2504 0.3198 0.2575 0.1365 0.2101 0.1583
1-(4-Amino-5-hexyn-1-yl)guanidine 0.0007 0.0015 0.0452 0.0007 0.0006 0.0005 0.0008 0.0018 0.0007 0.0007 0.0005 0.0009
1_4-Diaminobutane;Putrescine 0.0054 0.0044 0.0053 0.0040 0.0051 0.0052 0.0047 0.0053 0.0050 0.0035 0.0038 0.0036
1-(4-Hydroxyphenyl)-2-aminoethanol 0.0020 0.0119 0.0155 0.0077 0.0113 0.0078 0.0081 0.0152 0.0180 0.0014 0.0067 0.0088
1_4-Lactone 0.4961 0.5780 0.7514 0.6406 0.7230 0.7081 0.7830 0.8627 0.8703 0.0848 0.8238 0.7759
1_5-Anhydro-D-mannitol 0.0014 0.0013 0.0016 0.0013 0.0015 0.0018 0.0014 0.0012 0.0010 0.0649 0.0017 0.0015
1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole 3.1954 3.3630 4.7795 2.1167 2.2963 3.0931 4.2583 6.4090 5.2018 4.3871 4.4845 3.5757
1_6_6-Trimethyl-2_7-dioxabicyclo[3.2.2]nonan-3-one 31.0773 39.9495 40.1054 49.9412 37.8232 24.3548 26.4579 42.7687 45.8826 23.3481 23.9378 21.6095
"1_6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid" 5.8931 0.1277 0.0853 0.0825 1.9348 0.0970 0.0536 0.5429 0.1124 2.5682 3.2773 0.0374
1-Amino-1-deoxy-scyllo-inositol 0.0168 0.0208 0.0191 0.0158 0.0244 0.0278 0.0240 0.0223 0.0138 0.3509 0.0264 0.0244
1-Amino-1-deoxy-scyllo-inositol4-phosphate 0.4706 0.5409 0.6514 0.2980 0.3350 0.4835 0.4192 0.7377 0.5192 0.2624 0.3831 0.2316
1-aminobutylphosphonic acid 0.0281 0.0352 0.0293 0.0307 0.0175 0.0301 0.0168 0.0297 0.0260 0.0088 0.0301 0.0269
1-Aminocyclopropane-1-carboxylate 1-Aminocyclopropanecarboxylic acid 0.5203 0.5338 0.5808 0.5066 0.5551 0.6043 0.6076 0.6396 0.5748 0.4803 0.5750 0.5165
"1-(beta-D-Ribofuranosyl)-1_2-dihydropyrimidine" 0.0066 0.0092 0.0102 0.0059 0.0077 0.0098 0.0104 0.0120 0.0101 0.0068 0.0092 0.0076
"1-(beta-D-Ribofuranosyl)-1_3_4_7-tetrahydro-2H-1_3-diazepin-2-one" 1.2869 1.6672 7.2199 0.1983 0.4930 0.4609 0.9073 0.3494 0.5658 215.5216 0.4338 0.2957
1-Cyclohexenecarboxylic Acid Cyclohex-1-enecarboxylic acid 1.1876 1.1511 1.3184 0.7213 0.7672 0.8587 0.9021 1.3604 1.4329 1.0327 1.1455 0.8634
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol 1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol 0.1749 0.3996 0.7954 0.2303 0.2791 0.3070 0.3621 0.5293 0.9442 0.1359 0.1756 0.2052
1-Deoxy-D-altro-heptulose7-phosphate 1-Deoxy-D-altro-heptulose 7-phosphate 4.2467 4.6972 5.5785 3.2256 3.3050 5.5517 5.7578 6.4101 5.1827 3.1578 5.5039 3.6614
1-Deoxy-L-mannitol 0.1735 0.0895 0.1033 0.0814 0.1032 0.0917 0.0942 0.0955 0.1014 0.1196 0.1689 0.0690
1-EBIO 0.0102 0.0101 0.0129 0.0063 0.0054 0.0096 0.0081 0.0118 0.0100 0.0074 0.0017 0.0064
1-Methyladenine 1-Methyladenine 15.5461 16.6843 13.2359 10.3576 5.8964 13.2064 3.1421 3.1574 4.2209 2.4337 3.6947 3.5033
1-Methylhistidine 1-Methylhistidine 0.0641 0.0461 0.0782 0.0305 0.0566 0.0472 0.0799 0.1224 0.0923 0.0419 0.0695 0.0491
1-Methylpyrrolinium 1-Methylpyrrolinium 0.0553 0.0819 0.0955 0.0164 0.0429 0.0662 0.0104 0.0141 0.0417 0.0056 0.0120 0.0595
1-Methylxanthine 1-Methylxanthine 0.0074 0.0082 0.0110 0.0067 0.0021 0.0073 0.0027 0.0013 0.0008 0.0020 0.0011 0.0010
1-Nitrosopiperidine 2.3360 3.1138 3.1147 2.2128 2.1090 4.1234 2.2499 2.1204 2.1278 1.6826 1.8292 1.5785
1-phenylethan-1-one hydrazone 0.0667 0.0561 0.0838 0.0427 0.0376 0.0649 0.0538 0.0837 0.0589 0.0510 0.0550 0.0419
1-phenylpropane-1_2-dione 3.2304 3.8582 4.8498 1.7886 2.3794 3.0460 2.4163 4.1419 2.8416 1.4571 2.0907 1.4472
1-Pyrroline-4-hydroxy-2-carboxylate 1-Pyrroline-4-hydroxy-2-carboxylate 0.0040 0.0045 0.0049 0.0043 0.0041 0.0048 0.0060 0.0056 0.0060 0.0220 0.0062 0.0047
"(1R_5R)-3_3_5-Trimethylcyclohexyl 5-oxo-L-prolinate" 0.0092 0.0137 0.0160 0.0060 0.0078 0.0092 0.0089 0.0147 0.0109 0.0051 0.0107 0.0104
"(1R_5S_6R_7R_9S_11S_12S_13S_14S)-3-Amino-14-methyl-8_10-dioxa-2_4-diazatetracyclo[7.3.1.17_11.01_6]tetradec-2-ene-5_9_12_13_14-pentol" 0.0031 0.0032 0.0039 0.0038 0.0046 0.0050 0.0050 0.0060 0.0044 0.0055 0.0076 0.0055
(1-Ribosylimidazole)-4-acetate Imidazoleacetic acid riboside 0.1742 0.4472 1.0427 0.3120 0.4035 0.3965 0.4575 0.5308 0.8833 0.1369 0.4233 0.3497
(1S_4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate 11.4566 12.9208 10.9215 10.6101 9.0490 7.3974 8.4599 6.1341 12.6257 9.2809 10.4708 5.6511
"(1S_6S)-6-Aminooctahydro-1-indolizinyl acetate" 0.2481 0.0095 0.0062 0.0026 0.0581 0.0150 0.0039 0.0030 0.0071 0.0749 0.0040 0.0075
1-Vinyl-2-pyrrolidone 0.0178 0.0363 0.0185 0.0155 0.0236 0.0195 0.0053 0.0092 0.0060 0.0037 0.0063 0.0039
2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid 0.6603 0.5324 0.5965 0.2978 0.3531 0.3909 0.4657 0.5434 0.4794 0.1381 0.2885 0.1991
"2_2^-Iminodipropan-1-ol" 0.1052 0.1695 0.0564 0.0955 0.0626 0.0549 0.0429 0.0338 0.0263 0.0174 0.0306 0.0228
2_2^-Iminodipropanoate 0.0956 0.0960 0.1085 0.0848 0.0759 0.0313 0.0952 0.0897 0.0685 0.0898 0.0768 0.0579
2-(3-Carboxy-3-aminopropyl)-L-histidine 1.8543 2.2242 3.4520 1.2144 1.6041 2.3069 1.8493 3.4355 3.2266 1.2374 1.6132 1.1162
2^_3^-CyclicCMP 0.0004 0.0004 0.0006 0.0005 0.0006 0.0006 0.0006 0.0005 0.0005 0.0005 0.0005 0.0005
2_3-Dimethylmaleate Dimethyl maleate 0.0639 0.0820 0.0850 0.0572 0.0767 0.0825 0.0706 0.0676 0.0596 0.0671 0.0653 0.0612
"2_3-Dimethylquinoxaline" 0.1261 0.1413 0.1501 0.1381 0.0946 0.1332 0.0745 0.1405 0.1267 0.0731 0.1001 0.0954
"2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1_3-benzothiazole" 0.2753 0.3120 0.3861 0.1557 0.1899 0.2544 0.3305 0.5143 0.4012 0.3210 0.3490 0.2896
"2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-5-(1-methyl-1H-imidazol-5-yl)-1_3_4-oxadiazole" 1.8889 1.6590 1.4446 1.2840 1.2791 1.5948 1.2756 1.6808 1.5982 1.5344 1.6277 1.3937
"2_4_6-triaminotoluene" 2,4,6-Triaminotoluene 5.6508 4.6424 6.6148 2.9965 3.9026 5.1355 4.4749 7.0694 4.1432 3.8557 4.3820 3.2455
"2_4-Diacetamido-2_4_6-trideoxy-alpha-D-mannopyranose" 2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose 0.6572 0.6518 0.7008 0.4160 0.5129 0.5814 0.5416 0.6158 0.3935 0.2631 0.4636 0.2258
"2_4-DIMETHYL-5-VINYLTHIAZOLE" 0.0085 0.0045 0.0084 0.0089 0.0072 0.0072 0.0062 0.0150 0.0110 0.0084 0.0120 0.0103
2-[4-(tert-butyl)-2-chlorophenoxy]-3-nitropyridine 0.0259 0.0210 0.0287 0.0344 0.0226 0.0354 0.0227 0.0291 0.0313 0.0264 0.0215 0.0326
2-[(5-chloro-3-pyridyl)oxy]-5-(1H-pyrrol-1-yl)pyridine 0.0123 0.0142 0.0166 0.0153 0.0213 0.0184 0.0222 0.0248 0.0247 0.0153 0.0235 0.0189
2_5-Dioxopiperazine 3.2548 3.4428 3.1519 2.0199 2.4869 3.3384 3.3832 3.1076 3.5720 2.6938 3.0818 2.2373
"2-(6_7-Dimethoxy-3_4-dihydroisoquinolin-1-yl)aniline" 0.0269 0.0195 0.0228 0.0220 0.0214 0.0225 0.0361 0.0382 0.0214 0.0221 0.0305 0.0177
2_6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine 0.0022 0.0080 0.0041 0.0063 0.0029 0.0077 0.0010 0.0017 0.0014 0.0011 0.0015 0.0011
"2_6-Diamino-7-hydroxynonanedioic acid" 0.0070 0.0065 0.0079 0.0044 0.0056 0.0057 0.0065 0.0073 0.0060 0.0036 0.0046 0.0039
2_6-Diaminoheptanedioicacid 2,6-Diaminopimelic acid 0.1951 0.1966 0.2079 0.2034 0.2712 0.2003 0.1321 0.1485 0.1851 0.1646 0.1373 0.1345
"2_7_9-Trimethyl-4H-pyrido[3^_2^:4_5]thieno[3_2-d][1_3]oxazin-4-one" 0.0034 0.0046 0.0027 0.0045 0.0033 0.0043 0.0028 0.0037 0.0046 0.1761 0.0022 0.0019
2_7-Anhydro-alpha-N-acetylneuraminicacid 2.1749 2.3039 3.3870 0.8846 1.1556 3.1348 1.8545 4.4020 1.9610 0.9906 1.5324 0.7067
"2-[(7-methyl-2_3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine" 0.6695 0.5767 0.9474 0.3831 0.4260 0.5739 0.7612 0.9887 0.6078 0.4210 0.5369 0.3540
2-(7^-methylthio)heptylmalate 2.0721 1.9726 4.4044 0.8199 2.1985 2.7866 6.3387 4.2883 3.3261 3.7827 2.0371 1.3345
2-(Acetamidomethylene)succinate 0.0486 0.0479 0.0761 0.0131 0.0050 0.0522 0.0653 0.0863 0.0578 0.0144 0.0299 0.0117
2-Amino-1H-benzimidazole 0.0303 0.0287 0.0432 0.0188 0.0187 0.0333 0.0410 0.0701 0.0488 0.0292 0.0614 0.0376
"2-amino-2_3_7-trideoxy-D-lyxo-hept-6-ulosonic acid" 2-Amino-2,3,7-trideoxy-D-threo-hept-6-ulosonic acid 0.0276 0.0318 0.0338 0.0240 0.0309 0.0271 0.0324 0.0298 0.0367 0.0235 0.0288 0.0268
2-amino-3-({[1-(dimethylamino)-1H-pyrrol-2-yl]methylidene}amino)but-2-enedinitrile 539.4218 855.4036 920.7683 398.8093 442.9605 469.0978 390.3536 313.6414 471.2816 178.3203 319.8486 137.4146
2-Amino-3-methoxybenzoic acid 3-Methoxyanthranilic acid 139.4744 149.9061 130.9603 95.9636 120.1819 77.7048 130.4077 138.8094 238.8804 75.3806 171.7610 79.7026
"2-Amino-3-methyl-3H-imidazo[4_5-f]quinoline" 0.0047 0.0042 0.0064 0.0027 0.0049 0.0043 0.0095 0.0105 0.0086 0.0098 0.0068 0.0049
2-Amino-4-hydroxy-6-hydroxymethyl-7_8-dihydropteridine 0.0248 0.0355 0.0312 0.0159 0.0148 0.0223 0.0114 0.0131 0.0101 0.0092 0.0114 0.0104
2-Amino-4-methylpyrimidine 223.9549 225.9382 327.7652 156.8599 194.8779 239.0116 333.9533 383.2699 354.0615 191.5093 263.4136 187.7624
2-Aminoacetophenone;O-Acetylaniline 0.0044 0.0051 0.0058 0.0044 0.0003 0.0061 0.0062 0.0080 0.0057 0.0047 0.0060 0.0045
2-Aminoacrylate 2-Aminoacrylic acid 0.0101 0.0099 0.0196 0.0160 0.0111 0.0078 0.0103 0.0145 0.0111 0.0074 0.0037 0.0140
2-Aminophenol 2-Aminophenol 0.0019 0.0020 0.0024 0.0027 0.0021 0.0027 0.0023 0.0027 0.0023 0.0019 0.0023 0.0018
2-coumarate 0.0204 0.0265 0.0296 0.0194 0.0249 0.0269 0.0307 0.0420 0.0289 0.0248 0.0296 0.0229
2^-Deoxycytosine 0.0030 0.0052 0.0053 0.0012 0.0038 0.0035 0.0012 0.0018 0.0013 0.0009 0.0012 0.0005
2-(Diethoxymethyl)furan 10.9807 1.0851 2.9932 2.6765 1.0926 63.2402 2.1785 2.1390 5.1683 1.7550 3.5676 0.4916
"2-Dimethylamino-5_6-dimethyl-4-hydroxypyrimidine" 0.0369 0.0410 0.1070 0.0473 0.0793 0.0661 0.0717 0.1482 0.0638 0.0562 0.0765 0.0526
"2-Ethyl-4_5-dimethylthiazole" 0.0986 0.0948 0.1050 0.0653 0.0600 0.0820 0.0459 0.0609 0.0579 0.0421 0.0444 0.0457
2-Hydroxy-2_4-pentadienoate 4.0157 4.5896 3.2820 1.8898 2.2241 2.8662 1.6356 2.0331 2.1451 2.1459 1.6081 1.2193
2-Hydroxy2-methylbutyricacid 2-Hydroxy-2-methyl-butyric acid 0.0004 0.0003 0.0003 0.0004 0.0004 0.0004 0.0004 0.0004 0.0003 0.0147 0.0005 0.0006
"2-Hydroxyamino-3-methyl-3H-imidazo[4_5-f]quinoline" 0.0046 0.0040 0.0047 0.0043 0.0050 0.0044 0.0070 0.0076 0.0042 0.0054 0.0046 0.0036
"2-(Hydroxymethyl)-1-methyl-3_4_5-piperidinetriol" 0.0026 0.0061 0.0030 0.0023 0.0024 0.0034 0.0035 0.0027 0.0021 0.0015 0.0023 0.0021
2-Hydroxy-N-(2-hydroxyethyl)propionamide 0.0431 0.0392 0.0519 0.0275 0.0314 0.0318 0.0456 0.0807 0.0562 0.0286 0.0531 0.0333
2-Hydroxyphenethylamine 2-Hydroxyphenethylamine 0.3488 0.2456 0.3544 0.1157 0.1015 0.1832 0.2010 0.4780 0.1588 0.1170 0.2073 0.0973
2-Hydroxypyridine 2-Hydroxypyridine 1.4074 1.4543 1.2486 1.0088 1.0193 0.5933 0.8771 1.0770 1.9941 0.3747 1.0843 0.5224
2-Isopropyl-6-methoxypyrazine 0.0653 0.0442 0.0899 0.0682 0.0440 0.0824 0.0641 0.0533 0.0298 0.0597 0.0401 0.0253
2-Mercapto-2-methylpentan-4-one 0.0061 0.0081 0.0106 0.0042 0.0041 0.0066 0.0024 0.0048 0.0054 0.0022 0.0041 0.0035
2-Mercaptoethanol Mercaptoethanol 26645.4489 27687.4383 25026.8723 27453.2129 22767.9454 16680.8233 15837.7655 18934.5791 37946.3474 18181.3214 27183.2431 16426.9715
"2-Methyl-4_5-dihydro-3-furanthiol" 0.1070 0.1169 0.1273 0.0675 0.0956 0.0992 0.0936 0.1946 0.1446 0.1096 0.1090 0.0878
2-Methyl-6-oxohepta-2_4-dienal 2.9436 4.3840 1.4724 4.7135 5.3293 9.3386 5.3156 1.1200 10.3306 4.7134 5.0154 2.8301
2-methylbutyrylcarnitine CAR 4:0;2Me 1.4579 1.7138 1.5939 0.9282 1.2319 1.0061 0.8430 1.5678 0.8876 0.3395 0.7709 0.6722
2-Methylcholine 2-Methylcholine 0.0822 0.0547 0.0585 0.0219 0.0235 0.0213 0.0778 0.0606 0.0567 0.0152 0.0150 0.0184
2-Methylhippuricacid 2-Methylhippuric acid 83.9395 26.8324 25.2233 20.7473 38.9426 14.2755 15.2035 18.8996 30.0632 60.1519 40.9736 21.9076
2-Methylnicotinamide 0.2850 34.9304 0.2908 0.2270 0.2010 0.1649 0.6876 0.2254 0.3059 0.1502 0.2249 0.1288
2-Methylserine 2-Methylserine 0.0594 0.0495 0.0409 0.0373 0.0388 0.0385 0.0550 0.0951 0.0705 0.0227 0.0534 0.0445
2^-N-Acetylparomamine 0.0065 0.0076 0.0070 0.0019 0.0033 0.0034 0.0032 0.0040 0.0022 0.0009 0.0014 0.0008
2-Oxindole Indolin-2-one 0.1475 0.1721 0.2062 0.1210 0.1012 0.1443 0.1323 0.2015 0.2346 0.1134 0.1819 0.1977
2-Oxo-delta3-4_5_5-trimethylcyclopentenylacetate 20.1361 9.0068 3.7723 5.6238 8.3095 12.4231 9.5036 9.3052 9.5805 7.2337 8.5123 3.6247
"2-phenyl-4H-furo[2_3-h]chromen-4-one" 0.0322 0.0388 0.0408 0.0277 0.0369 0.0398 0.0377 0.0389 0.0389 0.0160 0.0335 0.0305
2-Phenyl-4-pentenal 1.3622 3.8131 3.5624 18.2731 5.5714 0.9423 0.3903 11.7708 4.0992 0.3880 0.5951 9.4925
2-Phenylethanol 2-Phenylethanol 0.2390 0.1478 0.1486 0.0664 0.1016 0.1865 0.1517 0.1636 0.2295 0.1035 0.0905 0.0807
2-(Phenylsulfonyl)aniline 0.0089 0.0104 0.0090 0.0044 0.0038 0.0127 0.0020 0.0045 0.0025 0.0023 0.0029 0.0009
(2R_3S)-2_3-Dimethylmalate 6.7219 7.7567 8.8544 4.7241 3.8889 7.5625 3.9883 5.0811 4.9637 3.5674 3.9315 2.4376
(2R_4S)-2_4-Diaminopentanoate 0.0192 0.0241 0.0085 0.0251 0.0075 0.0295 0.0137 0.0205 0.0165 0.0115 0.0162 0.0135
"(2R_6S)-2_6-Diamino-3-hydroxyheptanedioic acid" 0.0133 0.0327 0.0409 0.0228 0.0392 0.0263 0.0242 0.0362 0.0381 0.0110 0.0147 0.0201
"(2S)-1_1-Dimethyl-2-piperidiniumcarboxylate" 0.0346 0.0431 0.0551 0.0328 0.0499 0.0420 0.0393 0.0559 0.0341 0.0242 0.0403 0.0285
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 0.0007 0.0006 0.0007 0.0016 0.0005 0.0854 0.0007 0.0008 0.0006 0.0006 0.0006 0.0005
(2S)-2-Amino-8-hydroxyoctanoic acid 0.1409 0.1218 0.1439 0.1272 0.1164 0.1444 0.1158 0.1537 0.1141 0.0902 0.1483 0.0929
"(2S)-3-(4-Hydroxyphenyl)-2-({[(3S_4S_5R)-2_3_4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name)" 0.0025 0.0031 0.0041 0.0026 0.0025 0.0041 0.0036 0.0035 0.0029 0.0025 0.0030 0.0030
"(2S)-3-Hydroxy-1_2-propanediyl dibutanoate" 0.0032 0.0036 0.0040 0.0023 0.0035 0.0034 0.0053 0.0021 0.0013 0.0010 0.0059 0.0047
"(2S_3R)-3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1_2_4-butanetriol" 0.0774 0.2235 0.2808 0.1411 0.1456 0.1679 0.1591 0.2175 0.2984 0.0841 0.0937 0.0978
(2Z)-3-Phenyl-1-(1-pyrrolidinyl)-2-propen-1-one 0.4327 0.2648 0.4824 0.0974 0.2695 0.0578 2.9015 0.2838 0.4008 0.2194 7.8650 3.2753
"3-(1_2_3_4-tetrahydroisoquinolin-2-yl)-2-(2-thienylcarbonyl)acrylonitrile" 24.4949 23.8855 17.5984 29.8549 23.4677 12.1611 9.2224 11.9499 19.0988 6.5304 13.6643 7.5286
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine 0.0220 0.0254 0.0323 0.0170 0.0329 0.0267 0.0250 0.0366 0.0208 0.0154 0.0226 0.0192
"3-[3-(1_3-dimethyl-1H-pyrazol-4-yl)-1H-1_2_4-triazol-1-yl]-5-methylisoxazole" 0.2318 0.2303 0.1598 0.2071 0.1485 0.3085 0.0891 0.0977 0.0863 0.2430 0.1648 0.1898
3-(3_4-Dihydroxypyridin-1-yl)-L-alanine 0.0134 0.0259 0.0346 0.0176 0.0253 0.0212 0.0200 0.0310 0.0338 0.0125 0.0141 0.0165
3^_4^_5-Trihydroxy-3_6_7-trimethoxyflavone 0.0076 0.0008 0.0007 0.0006 0.0022 0.0007 0.0003 0.0006 0.0006 0.0006 0.0004 0.0003
3_4-Dimethoxyphenethylamine 0.0146 0.0104 0.0089 0.0014 0.0021 0.0076 0.0218 0.0210 0.0308 0.0251 0.0229 0.0220
"3_4-Dimethyl-5-pentyl-2-furanpropanoic acid" 0.7682 0.7507 0.7936 0.4983 1.3649 93.1084 0.4433 0.5757 4.7440 0.8812 0.5389 0.2798
3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile 0.0252 0.0215 0.0273 0.0177 0.0138 0.0190 0.0207 0.0367 0.0227 0.0256 0.0215 0.0165
"3_5-Dihydroxyphenyl dihydrogen phosphate" 0.4377 0.6557 0.6853 0.4713 0.4151 0.7108 0.8238 0.1365 0.7862 0.4871 0.6330 0.4815
"3_5-Dimethyl-1-phenylpyrazole" 140.3339 89.7946 55.3159 63.4043 54.4367 34.7043 39.2739 46.6482 94.7050 57.3117 92.3614 34.4095
"3-[6-(tert-butyl)-1_1-dimethyl-2_3-dihydro-1H-inden-4-yl]-5-(trifluoromethyl)-4_5-dihydro-1H-pyrazol-5-ol" 0.0231 0.0185 0.0193 0.0172 0.0171 0.0093 0.0145 0.0122 0.0103 0.0057 0.0088 0.0075
3-Amino-2-naphthoic acid 1.2255 1.3925 1.8251 0.5081 0.4569 0.7447 0.7499 1.4435 0.7732 0.4321 0.6834 0.3388
"3-amino-4-(propylamino)cyclobut-3-ene-1_2-dione" 0.0849 0.0906 0.1063 0.0718 0.0909 0.0882 0.0686 0.1420 0.0685 0.0416 0.0933 0.0560
3-Amino-6-chloropyridazine 0.0554 0.0806 0.0852 0.0341 0.0465 0.0655 0.0695 0.0757 0.0612 0.0392 0.0503 0.0394
3-Aminopropane-1-sulfonic acid Cerebril 0.0020 0.0050 0.0042 0.0033 0.0048 0.0027 0.0045 0.0066 0.0041 0.0023 0.0047 0.0028
3-BHA 29.9068 1.7490 9.2601 6.2500 14.5251 3.6283 5.9150 9.7031 15.2925 20.5638 11.0204 3.9759
3-Butyn-1-al 3-Butyn-1-al 0.0005 0.0009 0.0006 0.0006 0.0011 0.0003 0.0009 0.0009 0.0008 0.0007 0.0003 0.0008
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid 0.0397 0.0434 0.0481 0.0271 0.0370 0.0333 0.0493 0.0772 0.0457 0.0360 0.0422 0.0307
3^^-Deamino-3^^-oxonicotianamine 3''-Deamino-3''-oxonicotianamine 0.1127 0.2384 0.1425 0.0442 0.0910 0.0897 0.2714 0.6914 0.2855 0.3581 0.2740 0.1503
3-Dehydrocarnitine 3-Dehydrocarnitine 0.0080 0.0055 0.0063 0.0076 0.0059 0.0051 0.0062 0.0068 0.0072 0.0057 0.0065 0.0064
3-Dehydroxycarnitine 3-Dehydroxycarnitine 0.5153 0.5379 0.8607 0.3635 0.4628 0.4028 0.2589 0.7053 0.8513 0.1837 0.3190 0.3284
3-Guanidinopropanoate 3-Guanidinopropanoic acid 1.3309 1.7536 2.7671 1.2880 2.5910 2.0855 2.5007 2.9972 3.1930 1.0932 2.5295 2.3849
"3-Hydroxy-2_4_5-pyridinetrimethanol" 0.0434 0.0415 0.0269 0.0286 0.0358 0.0263 0.0199 0.0315 0.0220 0.0117 0.0171 0.0174
3-hydroxy-2-methyl-1H-quinolin-4-one 0.0209 0.0223 0.0143 0.0125 0.0124 0.0222 0.0158 0.0302 0.0249 0.0104 0.0230 0.0176
3-Hydroxy-2-methyl-4-pyrone Maltol 0.0156 0.0189 0.0204 0.0119 0.0131 0.0194 0.0159 0.0189 0.0153 0.0128 0.0145 0.0100
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate 0.1067 0.1189 0.1186 0.1229 0.1058 0.1255 0.0885 0.0707 0.0676 0.0701 0.0729 0.0822
3-Hydroxy-4-methylanthranilate 0.0060 0.0045 0.0055 0.0052 0.0053 0.0055 0.0041 0.0061 0.0052 0.0051 0.0045 0.0059
3-Hydroxycotinine(3HC) 0.2710 0.2107 0.1722 0.1374 0.1443 0.1753 0.0516 0.3508 0.1254 0.1293 0.2589 0.1450
3-hydroxyoctanoylcarnitine CAR 8:0;3OH 0.0242 0.0306 0.0238 0.0141 0.0211 0.0208 0.0251 0.0340 0.0342 0.0084 0.0266 0.0247
3-Hydroxytetradecanedioic acid 3-Hydroxy-tetradecanedioic acid 0.5139 0.4895 0.3963 0.2992 0.2582 26.5092 0.2580 0.4223 0.3910 0.1990 0.3376 0.1535
3-(Isothiocyanatomethyl)-1H-indole 5.3180 5.0747 5.6777 4.2086 4.0126 2.3646 1.7892 3.0344 6.2466 3.8087 5.0913 1.9016
3-Mercapto-3-methylbutan-1-ol 61.0463 64.4220 56.3172 82.0258 62.2531 26.8510 30.3667 40.7170 105.3366 38.6894 62.6881 43.0998
3-Methoxytyramine 3-Methoxytyramine 2.1163 2.1750 2.7195 1.4785 1.4129 1.7956 1.6706 2.8553 2.7294 1.7819 2.0932 1.7635
3-Methylcrotonylglycine 3-Methylcrotonylglycine 178.0237 9.9490 2.6570 4.3635 39.2889 4.7642 5.3393 5.6618 10.1347 46.5957 9.5928 2.6595
3-Methylcyclopentene 0.0825 0.3583 0.0872 0.0810 0.0918 0.0899 0.1487 0.0676 0.0833 0.0849 0.0478 0.0451
3-Methylglutarylcarnitine CAR DC5:0;3Me 8.8388 4.1333 3.1576 2.4101 3.3243 2.5839 4.0310 3.4335 8.6348 3.8936 3.9650 1.9401
3-Methylhistamine 3-Methylhistamine 9.2859 9.3281 9.3610 9.2368 9.3560 9.3687 9.4089 9.3620 9.3647 9.4278 9.4362 9.4501
3-Methylhistidine 3-Methylhistidine 1.4282 1.2618 1.3872 0.7325 1.1138 1.0776 3.2443 4.5118 2.1287 1.6215 2.8646 1.2202
"3-Methylpyrrolo[2_1-c][1_2_4]triazine" 0.0094 0.0088 0.0120 0.0068 0.0062 0.0101 0.0149 0.0275 0.0198 0.0140 0.0206 0.0148
3-Oxotetradecanoic acid 3-Oxotetradecanoic acid 0.3890 0.3802 0.3452 0.2523 0.2268 37.0575 0.0845 0.2915 0.3505 0.2084 0.2729 0.1417
3-(Pyrazol-1-yl)-L-alanine 3-(Pyrazol-1-yl)-L-alanine 2.0257 1.9757 3.0228 1.1437 1.5104 2.0163 2.7934 3.4034 2.5369 1.6256 2.0650 1.3650
(3R)-beta-Leucine beta-Leucine 2.2553 3.2161 4.4452 1.8858 2.7968 2.7269 1.8166 2.5284 1.8166 1.1142 1.7039 1.4007
(3S)-3-(Pentanoyloxy)-4-(trimethylammonio)butanoate 8.3119 1.5793 2.9408 2.0115 2.2871 1.4499 1.5554 1.7561 3.5179 3.7267 3.4006 1.0787
(3S)-3-{(Z)-[(3S)-3-{(Z)-[(3R)-3-Amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxybutylidene]amino}-5-methylhexanoic acid 0.0029 0.0065 0.0119 0.0024 0.0041 0.0079 0.0038 0.0079 0.0071 0.0030 0.0032 0.0020
3-Ureidoisobutyrate Ureidoisobutyric acid 0.0687 0.0571 0.0383 0.0473 0.0505 0.0481 0.0446 0.0894 0.0705 0.0253 0.0537 0.0548
"4-[4-(Trifluoromethoxy)phenyl]-6_7-dihydrothieno[3_2-c]pyridine" 0.0164 0.0229 0.0188 0.0246 0.0086 0.0159 0.0133 0.0201 0.0224 0.0195 0.0250 0.0257
"4_6-Diamino-5-formamidopyrimidine" FAPy-adenine 0.0314 0.0326 0.0343 0.0172 0.0160 0.0197 0.0209 0.0246 0.0230 0.0151 0.0202 0.0136
"4_8-dihydroxy-6_6_8-trimethyl-1H_3H_4H_4aH_5H_6H_7H_7aH_8H_9H-azuleno[5_6-c]furan-1-one" 0.4651 0.4145 0.3748 0.4740 0.2890 0.8941 0.3584 0.4624 0.3525 0.6343 0.6726 0.6025
4-Acetamido-2-amino-6-nitrotoluene 0.0307 0.0013 0.0021 0.0017 0.0102 0.0018 0.0017 0.0018 0.0019 0.0170 0.0019 0.0020
4-Acetamidobenzoic acid 4-Acetamidobenzoic acid 308.9572 519.0691 463.2472 269.2560 287.6344 166.3797 266.2053 241.2125 349.0241 155.7247 280.4937 140.0747
"(4-amino-1_2_5-oxadiazol-3-yl)(1-pyrrolidinyl)methanone oxime" 6545.8556 7664.3933 6894.6249 6058.9031 4914.8530 3018.0233 5218.4679 4957.8118 7796.9170 4181.6581 6326.5869 3772.7224
"4-amino-1-(2-furylmethyl)-6-hydroxy-1_2-dihydropyrimidine-2-thione" 0.0319 0.0289 0.0298 0.0297 0.0335 0.0263 0.0361 0.0360 0.0359 0.0345 0.0360 0.0352
4-Amino-2-pyrazin-2-ylpyrimidine-5-carbonitrile 0.0622 0.0725 0.1119 0.0377 0.0543 0.0962 0.0668 0.1047 0.0855 0.0295 0.0454 0.0387
4-Amino-5-hydroxymethyl-2-methylpyrimidine 4-Amino-5-hydroxymethyl-2-methylpyrimidine 0.2704 0.1694 0.2256 0.2496 0.1468 0.1928 0.2145 0.2421 0.2066 0.2665 0.2087 0.1889
4-Aminopyridine 4-Aminopyridine 0.0470 0.0537 0.0685 0.0552 0.0620 0.0653 0.0875 0.0988 0.0821 0.0664 0.0868 0.0813
"(4aR_5R_6R)-6-hydroxy-4a_5-dimethyl-3-(prop-1-en-2-yl)-2_4a_5_6_7_8-hexahydronaphthalen-2-one" 0.0891 0.0927 0.1153 0.0631 0.0761 0.0959 0.0784 0.0936 0.0624 0.0594 0.0715 0.0596
4-(beta-Acetylaminoethyl)imidazole N-Acetylhistamine 0.2272 0.1415 0.1844 0.0680 0.0561 0.1031 0.1005 0.2048 0.0822 0.0757 0.1001 0.0492
4-Butyloxazole 5.3567 5.4735 8.1885 2.9893 2.9306 5.0629 3.5240 3.8809 3.2405 1.8822 0.7224 1.9122
4-Coumarylalcohol 4-Coumaryl alcohol 1.9726 1.8032 2.1946 1.2198 1.3642 1.3580 1.5824 2.6019 2.5122 1.6437 1.8474 0.4753
"4-Cyano-N-[(1R_9S)-11-(2-naphthoyl)-6-oxo-7_11-diazatricyclo[7.3.1.02_7]trideca-2_4-dien-5-yl]benzamide" 27.3697 27.1096 24.4991 7.1582 19.8959 10.9514 20.1126 23.2748 23.9705 18.7957 5.7360 3.8003
"4-cyclopropyl-6-methoxy-1_3_5-triazin-2-amine" 0.1367 0.0843 0.1325 0.0777 0.0604 0.1005 0.1324 0.2533 0.1296 0.0937 0.1427 0.1021
(4E)-2-Oxohexenoicacid 2-Oxo-4E-hexenoic acid 3.1426 2.4435 0.7402 2.4135 1.8012 0.2462 1.8992 1.2982 1.7344 0.6370 1.1207 0.6645
4-Fluoro-?-pyrrolidinobutiophenone 0.0660 0.0878 0.1105 0.0522 0.0696 0.1007 0.1287 0.1720 0.0914 0.0844 0.1065 0.0779
4-Guanidinobutanal 4-Guanidinobutanal 0.0116 0.0143 0.0136 0.0129 0.0130 0.0174 0.0094 0.0119 0.0088 0.0065 0.0067 0.0075
4-Guanidinobutanamide 4-Guanidinobutanamide 0.0397 0.0700 0.0570 0.0293 0.0196 0.0373 0.0150 0.0176 0.0249 0.0178 0.0156 0.0150
4-Guanidinobutyric acid 4-Guanidinobutanoic acid 0.0784 0.0869 0.0811 0.1017 0.0916 0.0727 0.1064 0.1949 0.1227 0.0862 0.1556 0.1135
4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 0.0020 0.0014 0.0012 0.0009 0.0013 0.0011 0.0017 0.0020 0.0013 0.0010 0.0015 0.0010
4-Indolecarbaldehyde Indole-4-carboxaldehyde 0.0588 0.0663 0.0695 0.0684 0.0442 0.0587 0.0372 0.0652 0.0636 0.0337 0.0458 0.0432
4-Methoxyaniline p-Anisidine 0.0178 0.0172 0.0217 0.0115 0.0127 0.0152 0.0170 0.0261 0.0123 0.0149 0.0196 0.0113
4-Methyl-5-thiazoleethanol 5-(2-Hydroxyethyl)-4-methylthiazole 63.7397 47.3671 62.5699 18.0558 16.7904 30.5133 34.2277 73.1019 26.6499 21.5882 30.8763 8.5803
4-Methylene-L-glutamate 0.0054 0.0050 0.0052 0.0040 0.0066 0.0066 0.0046 0.0038 0.0029 0.0032 0.0038 0.0028
4-Methylene-L-glutamine 4-Methylene-glutamine 0.0105 0.0153 0.0138 0.0115 0.0027 0.0121 0.0100 0.0114 0.0080 0.0095 0.0098 0.0056
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANOL NNAL-N-oxide 0.0072 0.0079 0.0102 0.0056 0.0072 0.0072 0.0164 0.0244 0.0120 0.0073 0.0157 0.0077
"4-(Methylthio)-6-(4-pyridyl)-1_3_5-triazin-2-amine" 0.7923 0.7818 0.8806 1.5382 1.3391 1.1329 0.9427 0.8457 1.1820 1.0789 1.1522 1.5787
4-methylthiobutanaldoxime 4-Methylthiobutanaldoxime 0.0024 0.0015 0.0122 0.0065 0.0082 0.0017 0.0013 0.0132 0.0014 0.0042 0.0077 0.0011
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol 0.0357 0.0226 0.0236 0.0186 0.0181 0.0189 0.0203 0.0656 0.0327 0.0163 0.0365 0.0227
4-Oxo-4-(1H-purin-6-ylamino)butanoic acid 0.1935 0.2674 0.1871 0.1760 0.0603 0.1734 0.0967 0.1748 0.1632 0.2077 0.2239 0.1661
4-oxo-5-phenylpentanoic acid 0.0447 0.0471 0.2685 0.0259 0.0597 0.0560 0.0718 0.1549 0.0579 17.9590 0.0272 0.0259
"4-phenyl-6-(2-thienyl)-2_3_4_5-tetrahydropyridazin-3-one" 0.0048 0.0049 0.0048 0.0068 0.0072 0.0046 0.0044 0.0047 0.0056 0.0037 0.0045 0.0061
4-phenylsemicarbazide 0.1632 0.1704 0.3035 0.2432 0.2360 0.2678 0.2677 0.2838 0.0018 0.2240 0.2761 0.3284
(4S)-4-[(11-Carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate 0.0150 0.0437 0.0599 0.0293 0.0350 0.0318 0.0376 0.0468 0.0756 0.0090 0.0229 0.0298
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate CAR 8:1(2) 0.0092 0.0137 0.0160 0.0060 0.0078 0.0092 0.0089 0.0147 0.0109 0.0051 0.0107 0.0104
4-(trifluoromethyl)nicotinic acid 0.0807 0.0840 0.0740 0.1705 0.1361 0.1070 0.0859 0.0666 0.0967 0.1178 0.1027 0.1441
4-Undecylbenzenesulfonic acid 0.0079 0.0152 0.0118 0.0237 0.0121 0.0184 0.0184 0.0179 0.0121 0.0182 0.0174 0.0216
4-Vinylpyridine 0.0188 0.0080 0.0094 0.0127 0.0051 0.0152 0.0235 0.0233 0.0160 0.0190 0.0324 0.0210
"5-({[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)-4-pentyl-4H-1_2_4-triazol-3-ol" 0.0308 0.0370 0.0356 0.0319 0.0360 0.0462 0.0200 0.0236 0.0236 0.0258 0.0302 0.0187
"5-[(4-methoxybenzyl)amino]-2_3-dihydro-1_3_4-thiadiazole-2-thione" 0.0271 0.0262 0.0350 0.0285 0.0253 0.0330 0.0430 0.0384 0.0400 0.0345 0.0399 0.0306
5_6-Dihydroxy-3-methyl-2-oxo-1_2-dihydroquinoline 42.7839 3.1134 1.7371 1.6428 15.5388 1.0377 1.2271 2.3628 3.7998 18.4694 4.4659 1.4032
"5_6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one" 0.0184 0.0276 0.0292 0.0138 0.0230 0.0293 0.0195 0.0219 0.0212 0.0102 0.0188 0.0161
"5_6-Dimethylbenzimidazole" Dimethylbenzimidazole 1.6267 0.7776 0.8200 0.8911 0.4362 0.2518 0.3520 0.7058 1.0529 1.5459 0.5810 0.2690
"5_6-diphenyl-2_3-dihydropyrazine" 0.0362 0.0412 0.0339 0.0288 0.0218 0.0635 0.0367 0.0403 0.0334 0.0265 0.0341 0.0275
"5-(6-hydroxy-6-methyloctyl)-2_5-dihydrofuran-2-one" 31.2298 53.8583 51.2049 34.9219 30.1222 21.6131 33.4025 28.4613 42.4235 24.3459 44.3182 23.0697
"5-Allyl-5-sec-butyl-1_3-dimethyl-2_4_6(1H_3H_5H)-pyrimidinetrione" 0.0974 0.1552 0.2053 0.0897 0.0890 0.1257 0.1101 0.0782 0.0910 0.0422 0.0748 0.0191
"(5alpha_6alpha)-3-Methoxy-17-methyl-4_5-epoxymorphinan-6_14-diol" 4.0642 0.4356 0.4330 0.2453 5.7202 0.1663 0.2288 0.2624 0.5587 1.7309 0.7765 0.1381
5-amino-1-phenyl-1H-pyrazole-4-carbonitrile 15.8736 16.1880 17.1111 9.9521 13.2435 7.8277 13.2459 25.9698 21.6307 8.9848 25.2744 8.6509
5-Amino-4-imidazolecarboxylate 0.0209 0.0423 0.0408 0.0232 0.0166 0.0332 0.0103 0.0085 0.0100 0.0078 0.0096 0.0080
"5-Amino-6-(4-hydroxybutanoyl)-2_2-dimethyl-2_3-dihydro-4H-chromen-4-one" 149.1052 4.8493 1.7545 1.3146 58.7643 1.1234 1.1436 5.2049 5.2609 44.9666 8.4013 1.1939
5-Hexyl-2-oxotetrahydro-3-furancarboxylic acid 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid 15.1265 3.2938 5.3242 2.7689 8.5843 2.0781 3.1623 3.0862 3.9762 5.7934 4.0396 1.8822
5-Hydroxyindole-3-acetic acid 5-Hydroxyindoleacetic acid 193.0445 16.8647 8.2317 3.6582 112.0151 3.2225 5.9594 2.2218 10.7006 92.9209 12.4987 3.0517
5-Hydroxykynurenamine 0.0022 0.0019 0.0019 0.0023 0.0023 0.0022 0.0013 0.0034 0.0024 0.0023 0.0025 0.0026
5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethyl-2-furancarboxaldehyde 3.9588 4.5517 5.0144 2.7531 2.2248 4.2819 3.3208 4.0925 2.8731 1.9184 2.2058 2.0319
"5-(hydroxymethyl)-4-methoxy-2_5-dihydrofuran-2-one" 1.3435 1.8687 2.1779 1.3678 1.2527 1.9693 2.2489 2.7646 2.1709 1.4440 1.6772 1.8268
5-Hydroxymethyldeoxycytidylate 0.0003 0.0003 0.0005 0.0001 0.0002 0.0005 0.0002 0.0002 0.0003 0.0002 0.0001 0.0001
5-L-Glutamyl-taurine 5-L-Glutamyl-taurine 0.0142 0.0123 0.0135 0.0097 0.0121 0.0111 0.0116 0.0126 0.0107 0.0047 0.0087 0.0072
5-Methoxybenzimidazole 13.4227 13.1965 15.2094 14.2472 10.5128 2.3358 7.6120 12.0227 17.0113 7.9744 22.9918 10.9111
5-Methoxytryptamine 5-Methoxytryptamine 0.2442 0.1842 0.3306 0.1876 0.1386 0.2157 0.1488 0.3620 0.2426 0.1496 0.2342 0.1584
5-Methylcytosine 5-Methylcytosine 0.7259 0.8713 0.7439 0.5200 0.4630 0.6496 0.3875 0.6182 0.6338 0.2963 0.4730 0.4484
5-Methyldeoxycytidine 5-Methyldeoxycytidine 0.0204 0.0208 0.0246 0.0123 0.0113 0.0124 0.0152 0.0316 0.0297 0.0143 0.0214 0.0219
5-Nitro-o-toluidine 0.0128 0.0152 0.0173 0.0136 0.0162 0.0181 0.0258 0.0326 0.0227 0.0211 0.0294 0.0216
5-phenylpentanol 3.3777 1.4843 0.9041 0.6930 3.0901 49.5507 0.4758 2.1683 0.7561 0.7136 2.3189 0.5106
5-Phosphonooxy-L-lysine 8.5304 12.5148 15.5629 6.9391 9.0844 12.1423 12.1386 16.6007 13.4616 7.2925 11.6381 8.3460
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-3_4-dihydro-1(2H)-naphthalenone 0.0140 0.0094 0.0134 0.0093 0.0092 0.0082 0.0070 0.0090 0.0122 0.0124 0.0086 0.0073
"(5Z_8Z)-5_8-Tetradecadienoic acid" 6.0064 9.4128 7.8773 6.6696 6.1218 20.9018 6.2559 5.4010 7.8846 5.0531 7.6225 4.2861
"6_8-di(tert-butyl)-4-oxo-4H-chromene-2-carboxylic acid" 0.0038 0.0047 0.0041 0.0036 0.0032 0.0077 0.0042 0.0053 0.0049 0.0055 0.0068 0.0057
6-Acetamido-3-aminohexanoate 0.0089 0.0082 0.0144 0.0058 0.0057 0.0070 0.0096 0.0104 0.0130 0.0052 0.0066 0.0093
"6-anilino-1_3-dimethyl-1_2_3_4-tetrahydropyrimidine-2_4-dione" 0.0444 0.0007 0.0010 0.0005 0.0184 0.0008 0.0008 0.0017 0.0011 0.0158 0.0014 0.0008
6-Deoxy-3-O-methyl-beta-D-galactopyranose 0.0004 0.0037 0.0054 0.0022 0.0032 0.0041 0.0050 0.0063 0.0054 0.0027 0.0004 0.0037
"6-Isopropylidene-4_4a-dimethyl-7-oxodecahydro-2-naphthalenyl (2E)-3-(methylsulfanyl)acrylate" 1.3955 1.6999 1.8172 0.9917 0.8472 0.7058 1.4695 1.1961 2.4019 0.1427 1.6926 0.6117
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one 37.1959 1.8455 0.8412 0.5060 15.8145 0.3975 0.4977 1.4161 2.2987 9.4955 2.5274 0.2869
6-Methylindole 0.0333 0.0364 0.0361 0.0401 0.0260 0.0345 0.0188 0.0338 0.0329 0.0206 0.0258 0.0241
6-methyltetrahydropterin 6-Methyltetrahydropterin 0.1455 0.1466 0.1383 0.1623 0.1318 0.1253 0.1034 0.1089 0.1310 0.1282 0.1412 0.1136
6-Oxo-pipecolinic acid 0.0427 0.0457 0.0382 0.0500 0.0501 0.0432 0.0499 0.0513 0.0462 0.0301 0.0483 0.0471
"7_8-dihydro-8-oxoguanine" 0.0524 0.0684 0.0919 0.0461 0.0347 0.0724 0.0317 0.0452 0.0369 0.0389 0.0506 0.0349
"7_8-dihydroxanthopterin" 0.4476 0.6186 0.5883 0.6238 0.4775 0.6015 0.1591 0.3677 0.4162 0.1335 0.3325 0.2970
7-carboxy-7-deazaguanine 3.1732 9.5718 6.6299 3.1016 0.6180 2.8492 2.0928 0.3990 3.6049 0.7291 2.0394 0.8297
7-deoxyloganetin 8.1570 2.2909 1.7474 1.5001 1.9238 2.2033 1.5967 3.5568 4.9783 3.5820 1.4042 0.9692
"7-methyl-3-nitroimidazo[1_2-a]pyridine" 1.2348 1.0004 0.9371 1.1704 1.3056 0.9532 1.3316 1.2416 1.6607 1.4318 1.4537 1.3645
7-Methylguanine 7-Methylguanine 9.5638 11.8024 9.6561 8.2837 4.4145 7.4574 4.0586 5.3736 6.1192 4.3771 5.9495 3.6219
7-Methylguanosine 7-Methylguanosine 0.0277 0.0228 0.0305 0.0185 0.0170 0.0253 0.0194 0.0308 0.0244 0.0145 0.0226 0.0134
(+/-)8(9)-EET 8,9-EpETrE 0.9316 1.7784 1.1403 2.5460 1.9581 0.5788 1.8365 1.0561 1.4601 1.1126 0.9776 0.9353
8-Amino-7-oxononanoate 8-Amino-7-oxononanoic acid 0.1075 0.1545 0.1321 0.1173 0.0822 0.1079 0.0893 0.1230 0.1100 0.0861 0.1193 0.1077
"8-Azabicyclo[3.2.1]octane-1_2_4_7-tetrol" 0.4482 0.5550 0.4916 0.4424 0.3422 0.4833 0.1457 0.1230 0.1646 0.1300 0.1115 0.1411
8-hydroxy-7-methylguanine 8-Hydroxy-7-methylguanine 0.0370 0.0361 0.0268 0.0290 0.0107 0.0201 0.0288 0.0312 0.0321 0.0191 0.0327 0.0183
8^-Hydroxyabscisate 16.6256 5.4470 6.0331 8.0733 8.8423 3.1913 4.5646 5.1663 7.8867 6.4356 3.0540 4.0479
8-Hydroxyalanylclavam 0.4659 1.4706 1.9757 0.8939 1.0671 0.9746 1.2132 1.2843 2.2507 0.7854 0.5382 0.6748
8-Hydroxyhexadecanedioic acid 0.5788 0.5801 0.5885 0.4557 0.3398 98.1985 0.4097 0.4516 0.6126 0.3101 0.4521 0.2560
8-Hydroxyquinoline Quinolin-8-ol 7.1127 5.6590 1.9632 0.8088 2.3215 0.3317 32.7303 214.9393 162.4999 9.7890 151.2896 34.4072
Acadesine AICAR 0.0362 0.0424 0.0434 0.0136 0.0109 0.0135 0.0264 0.0335 0.0232 0.0072 0.0169 0.0079
Aceclidine Aceclidine 0.1662 0.2294 0.2663 0.1098 0.1019 0.0955 0.1930 0.2846 0.1591 0.1194 0.1863 0.1191
Acetohydroxamic acid Acetohydroxamic acid 0.0959 0.0952 0.1227 0.0906 0.1021 0.1278 0.1078 0.1458 0.1001 2.7607 0.0967 0.0811
Acetylcadaverine N-Acetylcadaverine 2.6853 2.9319 3.3686 2.9789 2.9152 3.2281 1.6282 2.5603 2.8049 1.1683 1.6497 2.6529
Acetylcholine Acetylcholine 7.4973 9.0180 9.5413 6.1843 8.7719 7.9212 7.0593 7.8455 6.0885 3.9371 5.5900 5.2865
Acetyl-L-carnitine CAR 2:0 12.5516 15.2594 15.0904 13.1225 15.9481 15.5545 13.8666 14.6191 13.0598 10.1006 13.5070 12.9494
Acetyl-?-methylcholine 8.1424 6.9391 8.2982 5.2941 5.6327 6.0072 5.2233 7.3626 5.2839 3.7662 5.4617 3.6908
acetyltaurine 0.1946 0.2560 0.2259 0.1709 0.2255 0.1981 0.2823 0.4802 0.2661 0.2193 0.2923 0.1889
Adenosine Adenosine 26.8530 21.7866 25.3930 23.6248 19.6546 16.8438 23.2308 25.9403 28.0348 18.3325 25.4567 21.9784
Adenosine 5^-monophosphate AMP 79.2822 71.4379 105.9711 66.9712 70.2208 77.6821 104.9655 128.1972 127.8727 62.7507 100.7994 86.8028
ala-asn Ala-Asn 0.0165 0.0159 0.0168 0.0167 0.0221 0.0227 0.0151 0.0196 0.0152 0.0182 0.0223 0.0157
ala-met Ala-Met 0.0002 0.0001 0.0003 0.0002 0.0002 0.0002 0.0314 0.0223 0.0175 0.0135 0.0146 0.0084
Alanyltryptophan Ala-Trp 0.0019 0.0080 0.0126 0.0049 0.0091 0.0098 0.0074 0.0111 0.0134 0.0011 0.0045 0.0045
Ala-Tyr(Alanyltyrosine) 0.0005 0.0013 0.0020 0.0011 0.0014 0.0014 0.0009 0.0015 0.0017 0.0002 0.0007 0.0007
Albendazole Albendazole 0.0484 0.0389 0.0511 0.0459 0.0351 0.0502 0.0467 0.0718 0.0426 0.0500 0.0452 0.0403
Alizarin Alizarin 0.0057 0.0059 0.0066 0.0054 0.0058 0.0065 0.0065 0.0071 0.0060 0.0045 0.0064 0.0052
Allopurinol Allopurinol 84.7274 109.2918 98.4536 76.0341 54.0974 82.0936 46.1387 57.6694 57.4475 49.2423 61.9027 45.3531
Allyl Cyanide 0.0364 0.0365 0.0448 0.0295 0.0271 0.0483 0.0232 0.0272 0.0181 0.0222 0.0229 0.0180
alonimid 39.0171 80.4373 55.7353 41.6903 46.6247 34.2432 49.6925 42.9384 72.6606 13.9066 45.3833 31.7066
alpha-D-Galactosyl-1_3-beta-D-galactosyl-1_4-N-acetyl-D-glucosamine 0.3839 0.2382 0.2966 0.1340 0.0852 0.1395 0.1181 0.3288 0.1846 0.0616 0.1145 0.0875
alpha-D-Xylose1-phosphate 0.0043 0.0034 0.0047 0.0092 0.0032 0.0078 0.0046 0.0054 0.0098 0.0079 0.0101 0.0169
alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose 0.0006 0.0011 0.0011 0.0004 0.0005 0.0014 0.0003 0.0004 0.0002 0.0003 0.0003 0.0002
alpha-Glutamyl-4-hydroxyproline 0.0003 0.0013 0.0006 0.0016 0.0017 0.0011 0.0005 0.0015 0.0018 0.0165 0.0006 0.0016
alpha-methylstyrene 0.6194 0.2838 0.3250 0.1720 0.3440 0.3898 0.7046 0.4730 0.2349 0.2125 0.2182 0.1926
Alphaprodine 0.0565 0.0161 0.0357 0.0360 0.0170 0.0263 0.0091 0.0303 0.0196 0.0078 0.0143 0.0127
Ambrette musk 0.0004 0.0007 0.0011 0.0004 0.0006 0.0010 0.0008 0.0012 0.0010 0.0002 0.0005 0.0003
AminoDHQ AminoDHQ 29.2667 0.1789 1.5833 0.6356 2.1191 0.1785 0.3681 1.2900 2.2434 1.3355 0.8042 1.0131
Ammelide Ammelide 0.1007 0.2691 0.1559 0.1593 0.0786 0.1653 0.0352 0.0506 0.0614 0.0573 0.0562 0.0933
Ammeline Ammeline 0.0069 0.0074 0.0073 0.0081 0.0056 0.0066 0.0071 0.0079 0.0097 0.0057 0.0080 0.0103
AMPA Ampa 0.0936 0.4287 0.2213 0.1100 0.1107 0.1413 0.0620 0.1862 0.1465 0.5147 0.0958 0.0861
Aniracetam Aniracetam 3075.3439 219.3224 154.3837 135.1633 1160.7110 73.9940 92.6293 210.6805 383.2946 1322.3299 464.4552 138.8782
Anthranil 5.5506 14.2867 10.9464 5.4512 9.0048 6.0945 7.9616 8.0998 16.0521 3.5566 8.5706 3.1681
Anthranilic acid 2-Aminobenzoic acid 123.6364 483.9271 412.3875 107.9493 225.3699 192.1047 200.4505 182.4815 245.2318 87.1088 168.4650 77.5488
Apigenin7-O-beta-D-glucoside 0.0027 0.0018 0.0032 0.0074 0.0045 0.0062 0.0031 0.0027 0.0043 0.0032 0.0039 0.0056
APM 0.0038 0.0032 0.0031 0.0007 0.0006 0.0028 0.0034 0.0032 0.0006 0.0010 0.0009 0.0006
Apocynin Apocynin 0.0143 0.0180 0.0238 0.0182 0.0094 0.0235 0.0074 0.0085 0.0072 0.0079 0.0091 0.0068
apronalide 0.0036 0.0023 0.0023 0.0019 0.0023 0.0026 0.0025 0.0042 0.0049 0.0015 0.0026 0.0039
Arg-Glu Arg-Glu 0.0087 0.0174 0.0250 0.0090 0.0122 0.0166 0.0117 0.0170 0.0225 0.0083 0.0086 0.0079
Argininosuccinicacid Argininosuccinic acid 0.0281 0.1162 0.1680 0.0465 0.0678 0.1879 0.0473 0.1245 0.1239 0.0319 0.0742 0.0504
arg-leu Arg-Leu 0.0358 0.0566 0.0708 0.0370 0.0618 0.0572 0.0481 0.0720 0.0730 0.0319 0.0483 0.0409
ARG-PHE Arg-Phe 0.0050 0.0145 0.0227 0.0081 0.0167 0.0146 0.0127 0.0209 0.0256 0.0127 0.0080 0.0135
Arg-Trp Arg-Trp 0.0053 0.0103 0.0116 0.0118 0.0160 0.0112 0.0118 0.0147 0.0130 0.0041 0.0065 0.0090
arg-val Arg-Val 0.7128 1.3802 2.4873 0.5479 0.8703 1.2065 1.2865 2.1034 2.2921 0.4089 0.5288 0.5764
AS3325000 0.0417 0.0468 0.0601 0.0349 0.0486 0.0458 0.0030 0.0875 0.0436 0.0327 0.0539 0.0332
asn-asn Asn-Asn 0.0294 0.0638 0.1306 0.0287 0.0416 0.0594 0.0418 0.0727 0.1338 0.0270 0.0283 0.0250
asn-thr Asn-Thr 0.4254 0.7408 0.0195 0.3829 0.5261 0.5105 0.5715 0.8982 0.4079 0.2597 0.4142 0.1526
asn-val Asn-Val 0.0040 0.0057 0.0049 0.0030 0.0059 0.0093 0.0027 0.0074 0.0054 0.0046 0.0047 0.0028
Asparagine Asparagine 0.2436 0.1964 0.2951 0.1941 0.2356 0.2718 0.2374 0.3356 0.1650 0.1354 0.1927 0.1799
Asparaginyl-4-hydroxyproline 0.0121 0.0166 0.0130 0.0118 0.0169 0.0226 0.0169 0.0192 0.0131 0.0117 0.0151 0.0112
Aspartyl-L-proline Asp-Pro 0.3945 0.9078 1.1606 0.4921 0.5619 0.8079 0.7244 0.8193 1.1899 0.2055 0.5606 0.2984
asp-gln Asp-Gln 0.6328 1.5959 2.4481 1.1159 1.1041 1.1724 1.3496 1.7332 2.3782 0.5096 0.7066 0.7738
Asp-lys Asp-Lys 0.0041 0.0249 0.0047 0.0188 0.0210 0.0178 0.0190 0.0247 0.0421 0.0036 0.0104 0.0152
asp-thr Asp-Thr 0.2670 0.5573 0.7854 0.1867 0.1922 0.4454 0.3015 0.7750 0.7493 0.8202 0.2334 0.0713
Atagabalin 0.0003 0.0003 0.0003 0.0003 0.0002 0.0004 0.0004 0.0004 0.0003 0.0003 0.0003 0.0002
Azelaicacid Azelaic acid 0.3572 0.3424 0.2817 0.2059 0.1851 16.6424 0.1811 0.2379 0.2860 0.4195 0.2227 0.1156
azidamfenicol 0.3559 0.2430 0.2193 0.1694 0.0519 0.1652 0.0238 0.0027 0.0023 0.0129 0.0070 0.0025
Bemegride 3.2360 4.8284 3.7847 1.6007 1.4451 0.4949 2.9153 1.9406 2.9039 1.8551 2.5462 1.3328
Benzamidine Benzamidine 1.2408 1.2736 1.5167 0.9960 0.9127 1.6521 0.8010 0.9575 0.6157 0.7670 0.7824 0.6086
Benzene Benzene 0.0051 0.0059 0.0051 0.0050 0.0038 0.0049 0.0038 0.0037 0.0047 0.0053 0.0059 0.0065
Benzocaine Benzocaine 0.3241 0.3584 0.3969 0.2013 0.2460 0.2859 0.3497 0.5824 0.2574 0.2310 0.3520 0.1953
benzofenap Benzofenap 0.0015 0.0006 0.0013 0.0007 0.0013 0.0014 0.0022 0.0016 0.0030 0.0015 0.0020 0.0013
"Benzoyldehydro-2_3-dihydroxy-benzone" 169.2216 4.6190 2.6439 1.1963 62.1195 1.7999 1.6127 4.2937 6.9040 63.3909 9.9608 1.5103
beta-Alanyl-L-arginine beta-Alanyl-L-arginine 2.8809 4.4237 6.8687 1.7844 2.6158 3.5032 3.4238 4.6766 5.2582 1.7013 2.2259 1.7023
beta-Aspartylleucine 0.0007 0.0035 0.0044 0.0031 0.0035 0.0017 0.0032 0.0025 0.0049 0.0016 0.0009 0.0035
beta-Glycerophosphoricacid sn-Glycero-2-phosphate 0.1327 0.1345 0.1302 0.0862 0.2932 0.1775 0.1458 0.1890 0.1276 0.1347 0.1613 0.1001
beta-Ionone beta-Ionone 2.8486 0.5626 0.6681 7.9007 1.7520 2.1301 1.3863 5.1624 3.1493 2.3773 0.1406 4.7233
Bethanidine 0.5111 0.2621 0.0700 0.0524 0.0450 0.0491 0.1107 0.1354 0.0794 0.0826 0.0519 0.0427
Biopterin Biopterin 1.7497 3.1400 1.9555 2.3486 1.0525 1.8281 0.6219 0.9847 1.0061 0.8913 0.9862 0.9423
Biotinamide Biotin amide 0.0087 0.0082 0.0118 0.0074 0.0076 0.0104 0.0097 0.0117 0.0056 0.0061 0.0114 0.0044
Bis(4-ethylbenzylidene)sorbitol 81.1445 130.8806 118.7708 147.2311 99.7026 61.5848 78.3867 124.7526 138.5818 70.5882 83.8491 66.6189
Bis-D-fructose2^_1:2_1^-dianhydride 0.0330 0.0530 5.9534 3.1801 0.0311 5.0071 2.7707 3.3728 3.3859 2.4081 2.6106 1.7862
Botrydial Botrydial 2.4457 2.0521 0.8860 1.1718 1.8527 0.9658 1.8750 3.3904 3.2199 1.0005 1.0341 1.6353
Butabarbital Butabarbital 0.0016 0.0034 0.0037 0.0021 0.0026 0.0029 0.0024 0.0040 0.0032 0.0011 0.0015 0.0018
butanethiol 0.0031 0.0021 0.0018 0.0032 0.0018 0.0035 0.0031 0.0034 0.0029 0.0025 0.0033 0.0028
Butenylcarnitine CAR 4:1 0.2059 0.2600 0.2443 0.1974 0.2409 0.2433 0.2858 0.2853 0.3304 0.1591 0.2232 0.2519
Butobarbital 0.0078 0.0086 0.0103 0.0056 0.0074 0.0071 0.0096 0.0118 0.0069 0.0051 0.0077 0.0047
Butyryl-L-carnitine CAR 4:0 1.1845 1.4419 1.7970 0.7557 1.1771 1.0290 1.0048 1.7960 1.1589 0.5800 0.9082 0.7723
BX9286000 0.0603 0.0659 0.0774 0.0383 0.0694 0.0655 0.0669 0.0795 0.0561 0.0418 0.0586 0.0376
Cannabidiolicacid 6.2523 2.3094 4.6159 2.2794 2.3862 0.6600 3.0827 3.1560 5.1376 7.1143 3.4809 0.5466
Capryloylglycine Capryloylglycine 1.0524 1.5551 0.8854 0.7130 0.6125 1.0413 0.7359 0.7748 0.9688 0.8881 0.9880 0.4859
capuride 0.1390 0.0691 0.0760 0.0201 0.0237 0.0802 0.0292 0.0475 0.0199 0.0329 0.0272 0.0215
Carbocysteine S-Carboxymethyl-cysteine 1.5420 0.0349 0.0371 0.0104 0.5405 0.0261 0.0323 0.0373 0.0510 0.5682 0.0503 0.0235
Carbofuran 142.3218 6.2620 6.6518 3.5162 7.0275 3.4372 4.1591 6.0951 8.0375 9.6913 4.8946 1.7448
carglumic acid Carglumic acid 0.2361 0.3395 0.5136 0.1864 0.1634 0.1749 0.3470 0.4286 0.4506 0.2026 0.2347 0.1631
Carnosine Carnosine 0.6296 0.7244 1.3886 0.5073 0.6052 0.9071 0.7397 1.2617 1.2339 0.4781 0.5841 0.4768
Carnosine(beta-alanyl-L-histidine) 0.0155 0.0176 0.0197 0.0130 0.0171 0.0193 0.0149 0.0194 0.0128 0.0083 0.0138 0.0085
Catechol;1_2-Dihydroxybenzene 13.0489 3.3101 4.9732 3.4082 6.8796 1.3050 2.3438 2.7496 6.2950 7.8697 3.3469 1.4304
Chalcone Chalcone 0.0009 0.0010 0.0011 0.0007 0.0009 0.0012 0.0007 0.0009 0.0012 0.0008 0.0010 0.0009
chavicol 10.2515 4.7396 3.9427 5.3311 4.6614 1.2419 2.5937 4.1137 5.3472 3.1576 4.5739 2.9184
Choline Choline 81.3294 89.1327 91.6476 105.8230 99.2428 102.9098 84.8274 93.1019 91.3116 65.1997 92.1447 84.8789
Cholinephosphate Choline phosphate 20.4002 21.2655 27.5044 10.1158 13.4797 17.4876 17.5305 22.6095 15.8918 9.1504 12.0018 8.1482
Cholinesulfate Choline sulfate 0.0482 0.0193 0.0290 0.0311 0.0177 0.0281 0.0709 0.0499 0.0309 0.0494 0.0474 0.0233
Cladinose 0.0006 0.0006 0.0007 0.0023 0.0015 0.0021 0.0004 0.0007 0.0015 0.0086 0.0019 0.0006
Coformycin Coformycin 1.2193 1.3800 1.6281 0.9178 0.9098 1.3236 1.0374 1.0453 1.4130 0.7455 0.9485 0.7004
convicine Convicine 0.2136 0.0931 0.1564 0.0192 0.0312 0.3563 0.1185 0.1181 0.0311 0.0272 0.1030 0.0129
Cotinine Cotinine 0.0260 0.0301 0.0285 0.0188 0.0199 0.0226 0.0105 0.0239 0.0149 0.0112 0.0166 0.0124
Coumarone 4.0327 4.0772 5.1722 2.7916 2.7773 3.4322 3.2652 5.6993 5.2311 3.4529 3.9305 3.0859
Creatine Creatine 55.1232 60.8934 62.8165 62.6906 72.2039 66.5101 62.1399 64.4946 62.3370 53.3556 61.5869 61.4700
Creatinine Creatinine 41.1257 43.9975 55.3999 33.1298 43.2038 45.9248 52.3682 70.1984 66.2586 43.7243 58.4979 50.8714
Crotono-betaine 0.5769 0.2047 0.3761 0.2733 0.3143 0.2867 0.2729 0.3517 0.3510 0.3228 0.3726 0.2890
CU5774000 24.1872 5.8202 6.8052 3.8133 11.2659 8.4758 4.0625 4.6796 10.2237 8.0800 5.2141 2.5833
Cyclohex-2-enone Cyclohex-2-enone 0.0218 0.0166 0.0212 0.0313 0.0204 0.0250 0.0033 0.0556 0.0413 0.0371 0.0458 0.0442
"Cyclohexane-1_2-diaminetetraacetic acid" 0.1698 0.2754 0.3199 0.0970 0.1438 0.1550 0.3858 0.6051 0.4194 0.1693 0.2812 0.2192
Cyclohexylamine Cyclohexylamine 0.1059 0.4635 0.0961 0.1049 0.0979 0.1064 0.1372 0.0896 0.0894 0.0559 0.0891 0.0751
(cyclohexylmethyl)pyrazine 0.1359 0.0933 0.0979 0.0554 0.0459 0.0752 0.0959 0.1725 0.1137 0.0797 0.1214 0.0888
Cytarabine Cytarabine 1.0589 1.1707 1.1302 0.6233 0.7009 0.8370 0.9239 1.3663 1.0861 0.6078 0.8648 0.6261
Cytidine;1-beta-delta-Ribofuranosyl-Cytosine 0.0049 0.0495 0.3600 0.0413 0.0524 0.0395 0.0347 0.0243 0.1454 0.1551 0.0126 0.0711
Cytidine 5^-diphosphocholine CDP-choline 0.1860 0.2322 0.2993 0.1069 0.1495 0.1818 0.2350 0.2908 0.2344 0.1114 0.1715 0.1175
Cytidine 5^-monophosphate (hydrate) CMP 0.0233 0.0249 0.0334 0.0158 0.0156 0.0205 0.0303 0.0311 0.0299 0.0158 0.0192 0.0163
Cytosine Cytosine 3.7746 4.0645 4.1209 2.2198 2.3507 2.9232 3.1667 4.3350 3.7275 2.1185 3.1740 2.2248
D-2-Amino-hexano-6-lactam 0.1063 0.1308 0.1469 0.0915 0.1138 0.1450 0.0950 0.1289 0.0907 0.0805 0.0954 0.0801
D-Ala-D-Ala D-Alanyl-D-Alanine 0.1491 0.1534 0.2019 0.0874 0.1143 0.1089 0.1317 0.2735 0.1638 0.0757 0.1358 0.1092
Dambonitol 0.0136 0.0122 0.0120 0.0121 0.0146 0.0186 0.0122 0.0088 0.0094 0.7606 0.0133 0.0138
D-Arginine D-Arginine 0.2631 0.0630 0.1586 0.1361 0.0383 0.0863 0.0501 0.0429 0.0329 0.0191 0.0199 0.0138
D-(-)-Aspartic acid D-Aspartic acid 9.3459 11.3343 11.4876 4.4644 3.7410 7.4507 11.4727 20.1065 10.3691 3.6493 6.0634 3.6405
DD9275000 565.7964 289.4235 262.0181 232.7476 189.1453 151.3615 252.0580 166.9457 353.5066 82.2982 447.0559 213.2747
Deoxycytidine Deoxycytidine 0.4154 0.4510 0.6611 0.2323 0.3685 0.4189 0.5458 0.7606 0.6221 0.2868 0.4827 0.2934
Deoxyguanidinoproclavaminicacid Deoxyamidinoproclavaminic acid 0.0306 0.0395 0.0346 0.0274 0.0394 0.0328 0.0224 0.0324 0.0154 0.0176 0.0254 0.0166
D-Erythrose4-phosphate Erythrose 4-phosphate 0.0277 0.0108 0.0266 0.0159 0.0220 0.0223 0.0171 0.0264 0.0245 0.0155 0.0219 0.0181
Dethiobiotin Dethiobiotin 0.0205 0.0253 0.0272 0.0195 0.0219 0.0243 0.0206 0.0214 0.0198 0.0172 0.0210 0.0153
Dexamisole 1754.3996 1908.4738 1881.6776 1517.3964 1333.6110 1142.3160 768.2823 1133.1798 2315.6643 1183.2880 1683.3731 635.4789
Dezaguanine 0.0251 0.0277 0.0253 0.0201 0.0097 0.0244 0.0044 0.0041 0.0069 0.0056 0.0060 0.0071
D-glycero-D-manno-Heptose1-phosphate 0.0047 0.0047 0.0052 0.0050 0.0048 0.0049 0.0045 0.0056 0.0050 0.0040 0.0046 0.0036
di(3-pyridyl) 5-(tert-butyl)isophthalate 0.5466 0.5134 0.4811 0.3486 0.2969 0.3432 0.3428 0.6518 0.4193 0.3100 0.4240 0.2927
Difenoxurone 0.0045 0.0040 0.0070 0.0032 0.0058 0.0066 0.0115 0.0090 0.0063 0.0135 0.0060 0.0051
Difloxacin 0.0017 0.0022 0.0021 0.0016 0.0015 0.0037 0.0011 0.0012 0.0009 0.0027 0.0012 0.0007
Dihydrothymine Dihydrothymine 0.3523 0.4336 0.4336 0.3790 0.5028 0.4957 0.4887 0.5157 0.4620 0.3906 0.4694 0.3843
"Dimethyl 4-methyl-5-phenyl-1H-pyrrole-2_3-dicarboxylate" 75.4199 0.4271 0.2041 0.1704 34.9633 0.0987 0.1521 0.5239 2.6423 24.9193 3.5996 0.0959
Dimethylaminopropionylphenothiazine 31.0100 35.8002 28.0727 33.2846 18.7947 13.8212 13.4763 13.6191 52.1656 14.4753 37.4764 16.5487
dinotefuran Dinotefuran 0.0058 0.0062 0.0095 0.0061 0.0048 0.0093 0.0061 0.0057 0.0058 0.0038 0.0041 0.0045
DL-Arginine-6C13 798.5642 793.3275 841.1743 790.8742 736.0966 809.2394 787.8613 834.2781 844.3449 715.5074 772.2179 743.7469
DL-Glutamine Glutamine 12.4772 15.0772 15.6042 13.4815 16.4025 15.8311 12.2834 14.1681 12.4537 10.7857 12.6564 12.7831
DL-Phenylalanine-6C13 25 25 25 25 25 25 25 25 25 25 25 25
DL-Serine-13C3 Serine 0.4990 0.5249 0.4631 0.7134 0.8051 0.6357 0.5285 0.4772 0.4737 0.6508 0.6156 0.7553
DL-Tryptophan Tryptophan 0.0559 0.0615 0.0483 0.1053 0.0482 0.0692 0.0276 0.0659 0.0756 0.0395 0.0416 0.0455
D-myo-Inositol1_2-cyclicphosphate Inositol cyclic phosphate 2.8836 2.7753 3.3615 1.1408 2.8199 4.3700 1.9380 5.2986 2.1746 2.7786 3.8254 2.7621
D-O-Phosphoserine 0.6778 1.0139 1.1684 0.6341 0.7860 1.0638 0.9245 1.2822 0.9977 0.5751 0.9882 0.7607
D-Phenylalanine D-Phenylalanine 28.7795 76.4438 81.3108 58.7489 53.0636 56.4241 59.1278 84.9833 89.8033 32.7534 4.3895 5.3125
D-Pipecolicacid D-Pipecolic acid 18.8477 20.4040 21.1433 14.8634 18.4668 19.0192 19.2678 23.7502 17.2479 10.6648 15.3984 12.3685
D-Proline D-Proline 0.9974 1.0838 1.2108 0.9029 0.9734 0.9951 0.7410 1.0678 0.8145 0.6095 0.7078 0.6078
D-(+)-Pyroglutamic Acid 9.7803 11.4201 12.0742 10.6116 12.4690 12.4201 9.9511 11.1438 9.9969 8.5345 10.1044 10.0203
D-Serine D-Serine 0.1890 0.1985 0.2041 0.1512 0.1588 0.1859 0.1716 0.2112 0.1495 0.1194 0.1385 0.1026
D-(+)-Tryptophan D-Tryptophan 3.5427 3.9437 3.9461 4.1896 2.6790 3.6570 2.0631 3.6912 3.5952 2.1584 2.7610 2.5582
(E)-4-hydroxyphenylacetaldehydeoxime 0.0079 0.0054 0.0076 0.0045 0.0040 0.0254 0.0031 0.0036 0.0054 0.0039 0.0057 0.0033
E-64 E64 0.0059 0.0074 0.0061 0.0025 0.0023 0.0040 0.0085 0.0049 0.0030 1.3442 0.0037 0.0018
Ecgonine Ecgonine 0.0663 0.0745 0.0689 0.0656 0.0558 0.0602 0.0248 0.0435 0.0450 0.0190 0.0360 0.0449
Ecgoninemethylester 0.0030 0.0038 0.0045 0.0009 0.0015 0.0023 0.0008 0.0005 0.0010 0.0008 0.0008 0.0008
Ectoine Ectoine 0.1038 0.0907 0.1459 0.0511 0.0696 0.0706 0.0928 0.1804 0.1038 0.0563 0.0869 0.0534
EDDA 0.0069 0.0168 0.0180 0.0126 0.0189 0.0096 0.0133 0.0153 0.0253 0.0057 0.0074 0.0141
Edrophonium 0.0022 0.0025 0.0009 0.0014 0.0014 0.0019 0.0007 0.0018 0.0014 0.0007 0.0011 0.0009
Efloxate 0.0042 0.0043 0.0043 0.0029 0.0050 0.0052 0.0041 0.0046 0.0037 0.0029 0.0044 0.0031
Eglumetad 1.0282 1.0446 1.1462 0.6369 0.6244 0.7846 0.7911 1.0338 1.1349 0.5773 0.7094 0.5734
EGTA 0.0046 0.0070 0.0076 0.0130 0.0055 0.0083 0.0080 0.0058 0.0067 0.0069 0.0111 0.0114
EJ4025000 3.6147 2.0258 2.8948 0.5521 1.4547 2.4798 0.8117 2.6273 1.4863 0.3677 0.8118 0.5707
Elaeokanine C Elaeokanine C 14.1745 23.0657 14.9745 9.7776 12.4498 6.8214 11.7706 9.3387 11.9814 8.4676 15.0136 7.1105
(E)-Nifurtimox 0.6815 1.2515 1.9872 0.1658 0.3028 1.8145 1.3274 1.6013 0.1991 0.6938 0.8582 0.0931
Enrofloxacin 0.3729 0.3035 0.4291 0.3057 0.1755 0.4754 0.1202 0.1802 0.2094 0.1312 0.3277 0.1898
Epinephrine(OrL-Adrenaline) 28.7590 76.3750 81.2050 58.6153 52.9338 56.1317 59.1474 84.8700 89.9750 32.6354 78.8556 65.2773
EPK 0.0269 0.0703 0.0538 0.0449 0.0430 0.0330 0.0382 0.0700 0.0694 0.0231 0.0277 0.0312
epsilon-(gamma-Glutamyl)-lysine Epsilon-(gamma-Glutamyl)-lysine 0.0070 0.0065 0.0079 0.0044 0.0056 0.0057 0.0065 0.0073 0.0060 0.0036 0.0046 0.0039
Ethanal tetramer 5.7714 3.9531 3.4836 2.4025 3.0772 2.7484 2.6136 2.5061 3.4616 0.2348 0.4192 1.7768
ethyl 2-[(4-methyl-2-oxo-2H-chromen-8-yl)oxy]acetate 0.0386 0.0206 0.0316 0.0237 0.0134 0.0233 0.0300 0.0650 0.0362 0.0383 0.0391 0.0263
"ethyl 2-amino-8H-indeno[2_1-b]thiophene-3-carboxylate" 0.0358 0.0406 0.0159 0.0502 0.0165 0.0372 0.0086 0.0132 0.0208 0.0222 0.0138 0.0202
ethyl 4-amino-2-[(3-nitro-2-pyridyl)thio]pyrimidine-5-carboxylate 0.1804 0.1611 0.1689 0.3000 0.2574 0.2071 0.1800 0.1890 0.2312 0.2059 0.2276 0.2568
Ethylcyclopentenolone 4.1782 1.0221 3.2232 0.6322 3.3729 6.0144 2.8272 2.7338 5.2504 1.2230 2.1943 1.4472
[FAamino(5:0)]2S-amino-pentanoicacid 2S-Aminopentanoic acid 57.7379 55.2991 61.9825 43.3338 52.1042 49.9606 36.7823 52.6045 49.4853 32.6233 42.5553 37.9594
[FAamino_oxo(6:0/2:0)]2-amino-3-oxo-hexanedioicacid 0.0123 0.0159 0.0158 0.0102 0.0167 0.0164 0.0209 0.0243 0.0184 0.0071 0.0212 0.0183
fagomine Fagomine 0.0218 0.0203 0.0123 0.0190 0.0238 0.0188 0.0190 0.0223 0.0263 0.0248 0.0197 0.0241
[FAoxo(12:0)]12-oxo-10E-dodecenoicacid Traumatin 3.4821 4.4671 2.0975 1.4974 2.8777 2.3981 1.4225 3.7684 6.2045 1.5196 1.9885 1.1423
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid (S)-5-Amino-3-oxohexanoate 0.0355 0.0320 0.0420 0.0325 0.0440 0.0276 0.0192 0.0170 0.0103 0.0100 0.0115 0.0115
flavylium Anthocyanin 0.0025 0.0023 0.0015 0.0033 0.0035 0.0012 0.0013 0.0018 0.0012 0.0004 0.0019 0.0007
Flucythrinate Flucythrinate 0.0047 0.0045 0.0058 0.0040 0.0038 0.0046 0.0050 0.0054 0.0055 0.0697 0.0043 0.0034
formyl-isoglutamine 0.1176 0.1748 0.1177 0.1060 0.1220 0.0965 0.1316 0.1783 0.0938 0.1267 0.1302 0.0778
fosfocreatinine 0.0037 0.0032 0.0042 0.0017 0.0036 0.0034 0.0034 0.0037 0.0030 0.0030 0.0031 0.0026
Fructoselysine Fructosyllysine 0.0827 0.1324 0.1310 0.0608 0.0817 0.1049 0.0986 0.1208 0.0835 0.0515 0.0767 0.0415
Furfural;Furan-2-carbaldehyde 5.1867 6.2944 7.0032 4.0001 3.2622 5.4504 3.7901 4.6613 4.3117 3.0192 3.4509 3.5413
gamma-Glutamyl-gamma-aminobutyraldehyde gamma-Glutamyl-gamma-aminobutyraldehyde 0.0075 0.0212 0.0264 0.0101 0.0172 0.0166 0.0152 0.0152 0.0249 0.0049 0.0066 0.0092
gamma-Glutamyl-gamma-aminobutyraye 0.0457 0.0571 0.0536 0.0267 0.0342 0.0371 0.0499 0.0624 0.0551 0.0262 0.0318 0.0210
gamma-Glutamyl-gamma-glutamylglutamic acid 0.7637 1.1267 1.3465 0.6080 0.6749 0.9948 1.2580 1.5798 1.3477 0.4882 1.0485 0.6271
gamma-Glutamyl-S-methylcysteine 1.6266 1.9777 2.1088 0.8745 1.2333 1.7683 2.0252 2.7792 2.2025 1.1441 2.1543 1.2028
gamma-L-Glutamyl-L-cysteinyl-beta-alanine Homoglutathione 0.0029 0.0044 0.0058 0.0032 0.0041 0.0053 0.0034 0.0044 0.0040 0.0027 0.0038 0.0033
gamma-L-Glutamylputrescine gamma-Glutamylputrescine 2.0369 1.4278 1.5107 1.1579 1.7854 1.1823 1.1715 1.2258 0.7566 0.5273 2.0254 0.6729
GDP-alpha-D-mannose 0.0022 0.0029 0.0040 0.0015 0.0019 0.0024 0.0032 0.0032 0.0038 0.0017 0.0020 0.0021
Geranylpyrophosphate Geranyl diphosphate 0.0098 0.0119 0.0092 0.0067 0.0056 0.0068 0.0049 0.0105 0.0063 0.0054 0.0064 0.0044
Ggamma-L-Glutamyl-L-glutamicacid 0.5043 0.7849 1.2316 0.6230 0.5008 0.8156 0.6967 1.0521 1.2155 0.2782 0.4740 0.3198
Glibornuride 159.7451 7.5169 4.2253 2.6803 44.4041 2.5679 2.2531 12.0968 13.2163 9.3316 9.8300 6.0898
Glu-ala Glu-Ala 0.9007 0.4451 0.7863 0.1613 0.1753 0.6041 0.7579 0.9707 0.4484 0.1688 0.3368 0.1175
glu-asp Glu-Asp 0.0037 0.0073 0.0101 0.0055 0.0077 0.0066 0.0084 0.0087 0.0143 0.0040 0.0055 0.0067
Glucose 1-phosphate Glucose 1-phosphate 7.9447 10.1955 12.7706 7.2639 7.4490 10.6415 10.7218 13.2906 13.1105 6.3851 9.0006 6.9893
Glu-Gly Glu-Gly 1.5726 1.9343 2.8609 0.9109 0.8901 1.9925 2.3824 3.0929 2.5806 0.9011 1.1205 0.6969
glu-ser Glu-Ser 0.4124 1.6121 2.4009 0.9379 1.2060 1.1974 1.3495 1.7295 1.9820 0.5030 0.7660 0.7651
Glutarylcarnitine CAR DC5:0 0.0398 0.1290 0.0330 0.0340 0.0425 0.0334 0.0570 0.0767 0.0901 0.0338 0.0586 0.0764
Glutathione Glutathione 0.5068 4.4675 5.7785 4.3256 2.5223 3.8661 5.8535 4.8549 8.6054 1.7728 3.7208 4.3013
glu-thr Glu-Thr 1.6723 1.9269 2.4821 0.8877 0.8205 1.2201 2.1956 2.7965 2.1986 1.3646 1.2461 0.8154
Gly-Arg Gly-Arg 0.0100 0.0127 0.0207 0.0101 0.0132 0.0221 0.0137 0.0217 0.0309 0.0093 0.0079 0.0095
Glycerophosphoglycerol sn-Glycero-3-phosphoglycerol 0.0459 0.0630 0.0653 0.0298 0.0366 0.0443 0.0449 0.0696 0.0384 0.0176 0.0377 0.0194
Gly-DL-Phe 0.1147 0.1288 0.0870 0.0827 0.0716 0.1336 0.0886 0.1876 0.1565 0.0650 0.1384 0.1064
Gly-Pro(Glycylproline) 0.0147 0.0246 0.0244 0.0205 0.0201 0.0298 0.0190 0.0217 0.0247 0.0120 0.0129 0.0156
GMP;5^-GMP;Guanosine5^-monophosphate 15.8796 17.6432 25.6380 12.8077 13.0042 16.6212 20.7651 24.6796 25.0866 11.7551 17.1688 14.7071
Guanadrel Guanadrel Sulfate 0.0006 0.0006 0.0008 0.0003 0.0003 0.0007 0.0005 0.0007 0.0006 0.0002 0.0005 0.0006
Guanine Guanine 23.4609 31.7846 24.6011 33.5298 23.5206 34.7442 21.3392 25.8600 24.2807 19.1759 28.4307 24.1555
Guanosine Guanosine 3.9273 3.8182 4.0748 3.2568 3.2094 3.4887 3.4768 4.3896 3.9629 2.8695 3.6247 2.8617
Gynocardin Gynocardin 0.0619 0.0797 0.0573 0.0702 0.0404 0.0683 0.0413 0.0668 0.0624 0.0385 0.0724 0.0582
Heliotrine Heliotrine 0.0095 0.0015 0.0019 0.0013 0.0037 0.4041 0.0026 0.0021 0.0025 0.0118 0.0019 0.0072
hercynine Hercynine 0.0211 0.0175 0.0225 0.0103 0.0125 0.0155 0.0171 0.0392 0.0167 0.0134 0.0217 0.0143
Hexanoylcarnitine CAR 6:0 0.1012 0.1365 0.1737 0.0680 0.0756 0.1022 0.1070 0.1294 0.1176 0.0674 0.1125 0.1131
Hexanoylglycine Hexanoylglycine 0.0115 0.0132 0.0118 0.0016 0.0053 0.0094 0.0029 0.0034 0.0031 0.0050 0.0034 0.0057
Hexatriyne 1.6095 4.1325 3.1625 2.3310 2.3809 1.7119 2.0220 2.3867 4.3850 1.1240 3.6712 1.5243
Hexylamine Hexylamine 49.0775 76.3808 67.3244 41.8167 76.8227 61.5372 41.7993 71.1417 44.1667 20.9179 51.8496 65.8767
Histidylglycine His-Gly 0.1187 0.1529 0.3955 0.1370 0.1397 0.5695 0.1702 0.2546 0.4458 0.3403 0.1124 0.1376
Histidylphenylalanine His-Phe 32.1108 19.5799 11.1963 4.8020 9.3797 12.8520 10.2103 12.7667 3.7880 3.0665 12.6799 0.6354
HO-dPEG8-OH 19.2404 19.2431 12.6885 11.3554 8.0703 8.2940 10.7539 9.6661 10.6527 276.6510 8.4879 4.6785
Homoanserine 0.5180 0.7619 1.5103 0.3175 0.5365 0.9805 0.6539 1.2940 1.2625 0.3676 0.3578 0.2661
Homoarginine Homoarginine 0.6482 0.7266 0.9859 0.3951 0.4295 1.3001 1.4165 1.8704 1.5617 0.4704 0.9601 0.3282
Hydantoin-5-propionate Hydantoin-5-propionic acid 0.1852 0.4519 0.5889 0.1962 0.2610 0.2771 0.3938 0.4881 0.5593 0.1649 0.2182 0.1757
Hydroxyhexanoycarnitine CAR 6:0;OH 0.0332 0.0450 0.0553 0.0275 0.0442 0.0435 0.0563 0.0578 0.0516 0.0274 0.0459 0.0368
Hypotaurine Hypotaurine 0.0176 0.0214 0.0257 0.0162 0.0171 0.0204 0.0221 0.0247 0.0222 0.0117 0.0177 0.0160
Hypoxanthine Hypoxanthine 20.1023 22.0723 22.6753 16.9102 21.3437 23.6339 18.7528 18.7684 17.9010 13.0934 18.4689 14.5914
ile-his Ile-His 0.0374 0.0350 0.0417 0.0276 0.0459 0.0402 0.0446 0.0474 0.0557 0.0418 0.0326 0.0377
Imagabalin 0.2935 0.1450 0.2154 0.1560 0.0910 0.1344 0.1326 0.2245 0.2305 0.0913 0.1130 0.1240
Imetit Imetit 0.2208 0.0326 0.0317 0.0348 0.0298 0.0340 0.0328 0.0338 0.0340 0.0751 0.0366 0.0345
Imidazol-5-yl-pyruvate 0.0479 0.0385 0.0493 0.0262 0.0433 0.0414 0.0552 0.0773 0.0368 0.0281 0.0538 0.0050
Imidazole-4-acetaldehyde Imidazole-4-acetaldehyde 0.3881 0.4330 0.6017 0.6133 0.4582 0.5732 0.5084 0.3489 0.3304 0.3020 0.5655 0.5587
Imidazoleaceticacid Imidazoleacetic acid 0.0380 0.0211 0.0271 0.0104 0.0265 0.0313 0.0441 0.0572 0.0388 0.0468 0.0554 0.0392
Iminoerythrose4-phosphate 0.0014 0.0019 0.0021 0.0008 0.0013 0.0021 0.0021 0.0023 0.0022 0.0011 0.0019 0.0013
Imipenem 0.0013 0.0014 0.0007 0.0004 0.0102 0.0007 0.0006 0.0009 0.0016 0.0028 0.0018 0.0011
Indane 22.7196 19.1619 20.0551 21.7520 19.3398 16.2171 13.2494 19.3483 22.0925 15.6484 15.1923 11.1500
Inosine Inosine 3.8715 4.1757 3.9430 2.5004 2.8429 3.4374 2.8940 3.6990 3.1999 2.0513 2.9480 2.1058
Inosinic acid IMP 0.1840 0.1705 0.2243 0.1319 0.1702 0.2080 0.1832 0.2153 0.1623 0.1575 0.1758 0.1330
Iproniazid Iproniazid 0.0050 0.0093 0.0090 0.0038 0.0044 0.0077 0.0050 0.0077 0.0067 0.0046 0.0063 0.0051
ISOFENPHOS Isofenphos 0.0191 0.0243 0.0197 0.0111 0.0105 0.0157 0.0144 0.0142 0.0163 0.0054 0.0126 0.0053
Isoleucine - 6C13 25 25 25 25 25 25 25 25 25 25 25 25
Isoniazid Isoniazid 0.0272 0.0114 0.0163 0.0194 0.0082 0.0167 0.0068 0.0134 0.0087 0.0035 0.0091 0.0054
Istamycin C1 14.0816 15.1438 11.5795 11.0611 6.3137 7.7088 9.6774 7.1732 6.7974 368.1783 6.2709 4.6060
Kahweofuran 2.3360 3.1138 3.1147 2.2128 2.1090 4.1234 2.2499 2.1204 2.1278 1.6826 1.8292 1.5785
Kanosamine 0.3834 0.4434 0.3809 0.3166 0.2304 0.3094 0.1854 0.2801 0.2633 0.0917 0.2400 0.1974
KJ9800000 49.0304 63.7692 69.9937 49.8757 42.1245 33.9935 48.4500 46.6251 61.2060 32.1946 51.0300 29.8771
Kyotorphin Tyr-Arg 0.0034 0.0126 0.0164 0.0064 0.0084 0.0082 0.0077 0.0123 0.0126 0.0043 0.0037 0.0054
L-2-Methyltryptophan 0.0253 0.0266 0.0345 0.0232 0.0170 0.0267 0.0163 0.0251 0.0208 0.0147 0.0219 0.0174
?-Lactose Lactose 0.1262 0.1725 0.1681 0.1131 0.1269 0.2048 0.0663 0.0967 0.0815 0.0679 0.0893 0.0526
L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine 0.3435 0.3794 0.4244 0.2755 0.2824 0.3791 0.3051 0.3163 0.4190 0.2631 0.2991 0.2335
?-Lapachone 0.0167 0.0185 0.0188 0.0194 0.0199 0.0211 0.0195 0.0194 0.0190 0.0142 0.0184 0.0183
L-(+)-Arginine Arginine 156.3754 190.1537 236.7708 94.5548 105.3964 158.6457 168.0327 191.6068 156.5233 89.8052 100.7216 69.1597
L-Carnitinamide 1.0294 1.2822 1.5363 0.8522 1.0336 1.3665 1.0937 1.6958 0.8540 0.6525 1.1723 0.7742
L(-)-Carnitine Carnitine 18.7002 20.2229 20.9424 14.6920 18.3149 18.8687 19.0094 23.4468 16.9889 10.5121 15.1693 12.1621
L-(+)-Citrulline Citrulline 1.5731 1.8955 1.7158 1.8591 1.6417 2.2871 1.0463 1.6143 1.2023 0.8392 1.2083 1.0020
L-Cystathionine Cystathionine 0.1229 0.1711 0.2011 0.0862 0.0950 0.1213 0.1616 0.2727 0.2013 0.1149 0.1504 0.1200
lepidine 0.0383 0.0404 0.0474 0.0133 0.0249 0.0411 0.0487 0.0975 0.0555 0.0327 0.0702 0.0487
L-Ergothioneine Ergothioneine 0.0103 0.0198 0.0152 0.0075 0.0128 0.0166 0.0062 0.0067 0.0028 0.0067 0.0049 0.0024
Leu-arg Leu-Arg 0.0084 0.0333 0.0512 0.0227 0.0369 0.0262 0.0319 0.0423 0.0591 0.0123 0.0119 0.0342
Leucinamide 0.0185 0.0157 0.0230 0.0128 0.0095 0.0161 0.0137 0.0226 0.0160 0.0136 0.0145 0.0111
Leucylasparagine Leu-Asn 0.0008 0.0029 0.0046 0.0018 0.0032 0.0020 0.0027 0.0034 0.0081 0.0007 0.0013 0.0024
Leucyl-leucyl-norleucine 0.0016 0.0040 0.0112 0.0018 0.0059 0.0075 0.0018 0.0065 0.0041 0.0010 0.0015 0.0012
Leucylproline Leu-Pro 0.4612 0.5096 0.5081 0.3366 0.4684 0.4853 0.3892 0.4014 0.2672 0.2732 0.3134 0.2487
Leucyltryptophan Leu-Trp 0.0143 0.0446 0.0570 0.0310 0.0204 0.0673 0.0266 0.0343 0.0336 0.0079 0.0209 0.0174
leu-gln Leu-Gln 0.0009 0.0031 0.0054 0.0026 0.0045 0.0023 0.0044 0.0046 0.0070 0.0008 0.0020 0.0029
leu-his Leu-His 0.0025 0.0069 0.0086 0.0028 0.0042 0.0041 0.0046 0.0075 0.0083 0.0019 0.0027 0.0032
leu-lys Leu-Lys 0.6415 0.7774 1.1015 0.4002 0.5279 0.7094 0.9227 1.9930 1.3969 0.7572 1.0462 0.7542
leu-phe Leu-Phe 0.0195 0.1141 0.1788 0.0601 0.0828 0.0483 0.0869 0.1142 0.1666 0.0131 0.0323 0.0749
Leu-Pro(Leucyl-Proline) 0.0094 0.0332 0.0407 0.0197 0.0252 0.0257 0.0208 0.0177 0.0432 0.0064 0.0075 0.0155
Leu-Val Leu-Val 0.0795 0.1011 0.1418 0.0650 0.0764 0.1169 0.1159 0.1793 0.0893 0.0857 0.1329 0.0702
Levetiracetam Levetiracetam 0.0609 0.0697 0.0762 0.0638 0.0923 0.0778 0.0703 0.0898 0.0824 0.0562 0.0750 0.0745
L-gamma-Glutamyl-L-leucine gamma-Glutamylleucine 0.0337 0.1000 0.0922 0.0335 0.1069 0.0745 0.0292 0.0378 0.1009 0.0189 0.0261 0.0732
L-gamma-Glutamyl-L-valine gamma-Glutamylvaline 0.0137 0.0361 0.0448 0.0183 0.0253 0.0257 0.0321 0.0364 0.0424 0.0088 0.0153 0.0130
L-Glutamic acid Glutamic acid 404.8449 394.2655 493.3937 300.3194 277.6877 388.3972 455.4526 500.0049 495.6036 289.1417 375.3208 286.0921
L-Glutaminyl-L-proline Gln-Pro 0.0121 0.0203 0.0251 0.0143 0.0171 0.0209 0.0143 0.0201 0.0249 0.0073 0.0126 0.0139
?-L-Glutamyl-L-glutamic acid Glu-Glu 0.3340 0.9047 1.3648 0.6440 0.8240 0.8692 0.9072 1.0589 1.6451 0.3227 0.5628 0.4494
L-Glutathione oxidized Glutathione 0.2147 0.1988 0.2615 0.1254 0.1762 0.2106 0.1981 0.2939 0.1728 0.1479 0.1803 0.1235
L-Histidine Histidine 65.2576 66.3255 84.3693 42.6549 61.0632 65.2452 95.6021 102.8788 89.7250 59.7224 75.6151 51.8301
L-Homocitrulline Homocitrulline 0.0153 0.0167 0.0195 0.0137 0.0166 0.0185 0.0174 0.0181 0.0151 0.0109 0.0142 0.0134
L-Hypoglycin 0.0629 0.0754 0.0416 0.0172 0.0278 0.0089 0.0083 0.0455 0.0136 0.0155 0.0512 0.0104
lidamidine 0.0228 0.0211 0.0248 0.0170 0.0145 0.0163 0.0313 0.0355 0.0360 0.0290 0.0274 0.0246
Linamarin Linamarin 1.0258 1.4194 1.7769 0.7294 0.7366 1.3012 1.5434 2.3919 1.7501 1.1077 1.4937 0.9241
L-Indospicine Indospicine 0.0616 0.0614 0.0785 0.0349 0.0437 0.0384 0.0558 0.1220 0.0811 0.0332 0.0624 0.0499
Lisofylline 0.0117 0.0166 0.0249 0.0168 0.0159 0.0193 0.0194 0.0251 0.0214 0.0189 0.0202 0.0206
L-isoglutamine 0.0295 0.0337 0.0010 0.0275 0.0330 0.0434 0.0444 0.0489 0.0319 0.0319 0.0409 0.0295
L-Kynurenine Kynurenine 0.0072 0.0079 0.0102 0.0056 0.0072 0.0072 0.0164 0.0244 0.0120 0.0073 0.0157 0.0077
L-Lysine Lysine 50.0988 59.5133 76.7412 34.7963 32.8615 53.1256 39.0959 43.0177 34.2216 22.2273 27.2418 20.2097
L-(-)-Methionine Methionine 0.0404 0.0671 0.0798 0.0543 0.0705 0.0685 0.0576 0.0772 0.0584 0.0401 0.0510 0.0426
L-MethionineS-oxide Methionine sulfoxide 1.2068 0.1871 0.1786 0.1493 0.1892 0.2222 0.1198 0.1750 0.1378 0.2441 0.1388 0.1292
Lobelanine 2.8726 0.1308 0.1141 0.0870 0.8001 0.0453 0.0979 0.0827 0.1699 0.3754 0.1310 0.0712
Lofepramine 0.0009 0.0012 0.0013 0.0006 0.0011 0.0008 0.0011 0.0018 0.0015 0.0005 0.0007 0.0011
Loganin Loganin 0.0025 0.0032 0.0012 0.0034 0.0027 0.0033 0.0016 0.0012 0.0013 0.0011 0.0015 0.0019
L-Pyroglutamic acid Pyroglutamic acid 9.7115 11.3288 13.2922 8.0284 8.2033 10.2426 9.9520 14.0172 12.9267 5.9564 9.4496 7.1119
L-Saccharopine Saccharopine 0.0229 0.0363 0.0571 0.0145 0.0239 0.0345 0.0226 0.0339 0.0236 0.0125 0.0186 0.0140
L-serine phosphoethanolamine 4.0133 5.8581 7.2584 3.6868 4.7097 6.2587 5.4761 7.5682 6.2272 3.5197 5.7679 4.2762
L-Threonine Threonine 1.2052 1.3844 1.4844 0.9051 1.0782 1.2849 1.2934 1.6081 1.0256 1.1405 1.0987 0.7387
L-Tryptophanamide Tryptophanamide 0.0098 0.0032 0.0167 0.0027 0.0057 0.0076 0.0096 0.0132 0.0118 0.0044 0.0089 0.0037
L-Tyrosine Tyrosine 0.0204 0.0265 0.0296 0.0194 0.0249 0.0269 0.0307 0.0420 0.0289 0.0248 0.0296 0.0229
L-Tyrosinemethylester Methyl tyrosinate 0.0078 0.0086 0.0103 0.0056 0.0074 0.0071 0.0096 0.0118 0.0069 0.0051 0.0077 0.0047
LU3453000 0.0493 0.0609 0.0628 0.0506 0.0625 0.0625 0.0576 0.0597 0.0542 0.0381 0.0565 0.0518
lycopsamine Lycopsamine 9.5160 2.4442 2.5481 1.5033 4.3544 0.5368 1.6635 1.0859 4.7672 1.9709 3.4944 1.8291
"LYSINOALANINE_ (S_R)-" 0.0023 0.0030 0.0058 0.0015 0.0021 0.0037 0.0029 0.0062 0.0072 0.0012 0.0025 0.0024
lys-leu Lys-Leu 0.0203 0.0262 0.0341 0.0234 0.0326 0.0326 0.0273 0.0290 0.0361 0.0202 0.0188 0.0181
Lys-phe Lys-Phe 0.0176 0.0215 0.0317 0.0124 0.0250 0.0203 0.0387 0.0311 0.0291 0.0089 0.0142 0.0121
Lys-Pro Lys-Pro 0.0560 0.0647 0.0832 0.0457 0.0489 0.0732 0.0497 0.0609 0.0506 0.0381 0.0381 0.0356
lys-thr Lys-Thr 0.0030 0.0048 0.0063 0.0029 0.0046 0.0036 0.0035 0.0071 0.0099 0.0006 0.0033 0.0027
Lysylvaline Lys-Val 0.0068 0.0096 0.0139 0.0056 0.0091 0.0122 0.0072 0.0111 0.0095 0.0053 0.0064 0.0048
Macarpine Macarpine 0.0060 0.0036 0.0020 0.0113 0.0066 0.0075 0.0066 0.0055 0.0043 0.0130 0.0044 0.0063
Maleamate Maleamate 2.4980 1.3980 3.4676 1.3989 0.9986 1.9423 3.3881 3.3764 2.0495 1.0788 1.5493 1.0136
Maleimide Maleimide 0.0238 0.0322 0.0389 0.0115 0.0133 0.0224 0.0190 0.0230 0.0237 0.0099 0.0182 0.0117
Maltotetraose Maltotetraose 0.1544 0.2317 0.1745 0.1132 0.0850 0.2253 0.0812 0.1342 0.1215 0.0911 0.0936 0.0707
Medroxalol 34.5608 152.3317 147.0758 48.8144 43.6261 59.9504 63.3689 41.4955 75.3586 16.1634 63.4344 16.2266
Melagatran 15.3192 12.0251 13.7734 9.3546 8.3952 6.1721 8.6900 9.8373 16.0950 5.9155 10.7664 5.7271
Metanephrine L-Metanephrine 0.0103 0.0089 0.0112 0.0066 0.0058 0.0279 0.0072 0.0102 0.0116 0.0031 0.0074 0.0074
met-arg Met-Arg 0.0269 0.1353 0.2089 0.0609 0.0768 0.0701 0.0925 0.1987 0.3974 0.0380 0.0440 0.0790
Methionylleucine Met-Leu 0.0094 0.0297 0.0391 0.0227 0.0278 0.0204 0.0242 0.0330 0.0560 0.0062 0.0144 0.0227
Methohexital Methohexital 0.0035 0.0049 0.0073 0.0031 0.0051 0.0062 0.0049 0.0082 0.0066 0.0021 0.0037 0.0038
"methyl 3_5-ditert-butyl-4-hydroxybenzoate" 1.8696 0.7439 0.4823 0.3750 1.9817 40.1409 0.9304 0.5582 0.2890 1.1741 0.3705 0.2250
Methyl-3-aminobenzoate 0.0254 0.0264 0.0374 0.0622 0.0256 0.0581 0.0186 0.0732 0.0614 0.0526 0.0876 0.0716
Methylazoxymethanol Methylazoxymethanol 4.1891 2.3975 2.4291 0.7738 2.2841 1.7339 2.0624 2.5101 2.7092 0.3590 2.1581 2.1646
Methylfarnesoate 0.4841 0.6511 0.2439 0.5326 0.4592 175.4268 0.5191 0.3788 1.1705 0.5500 0.3885 0.2176
Methylimidazoleacetic acid Methylimidazoleacetic acid 0.0718 0.0621 0.0872 0.0461 0.0474 0.0432 0.2258 0.5310 0.1425 0.1154 0.1934 0.0942
metominostrobin 1.7271 80.1012 55.4257 41.5970 38.0714 34.1722 49.5713 42.3962 71.7292 2.5630 44.1565 31.6083
Metronidazole Metronidazole 3.1661 2.9608 4.0086 1.5274 2.0197 2.6233 3.8687 5.6266 3.2887 1.5668 3.2327 0.7939
met-thr Met-Thr 0.0026 0.0038 0.0088 0.0023 0.0034 0.0027 0.0038 0.0110 0.0072 0.0019 0.0033 0.0029
MFCD00020424 0.0028 0.0123 0.0239 0.0070 0.0122 0.0074 0.0102 0.0197 0.0363 0.0016 0.0062 0.0099
MFCD00025555 0.2693 0.2594 0.2828 0.2766 0.2433 0.2991 0.2056 0.2041 0.2375 0.1539 0.2378 0.2016
MFCD00037215 0.0213 0.0417 0.0514 0.0328 0.0419 0.0331 0.0353 0.0355 0.0473 0.0117 0.0164 0.0261
MFCD00153469 7.9010 10.8430 8.0639 5.3317 6.0871 3.6341 5.9406 4.1600 7.9467 4.5944 7.2483 3.6901
Milrinone Milrinone 0.0408 0.0744 0.0516 0.0267 0.0311 0.0763 0.0222 0.0323 0.0227 0.0193 0.0245 0.0084
moroxydine 0.1329 0.1501 0.1725 0.1153 0.1423 0.1499 0.1414 0.2134 0.1938 0.1265 0.1718 0.1538
Myristamide 20.2452 22.6056 16.7382 13.6928 10.6977 8.9475 11.6423 10.5709 16.0918 6.0336 15.5125 6.4845
"N1-(3-Pyridylmethyl)-3-(3_4-dichlorophenyl)acrylamide" 0.0674 0.0843 0.0231 0.0868 0.1300 0.0968 0.0860 0.0875 0.0950 0.0371 0.1032 0.0699
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-yliden)-2-chloroaniline 0.0124 0.0162 0.0153 0.0165 0.0206 0.0183 0.0170 0.0172 0.0168 0.0017 0.0171 0.0176
N1-Acetyl-5-methoxykynuramine 0.0042 0.0188 0.0272 0.0113 0.0193 0.0179 0.0101 0.0171 0.0257 0.0078 0.0034 0.0117
N1-Acetylspermidine N1-Acetylspermidine 1.2630 1.5061 2.6943 0.3836 0.5572 1.1890 1.9804 2.3318 1.3260 0.5215 0.6414 0.3379
"N-[2-(1_5-dimethyl-4-nitro-1H-pyrazol-3-yl)vinyl]-N_N-dimethylamine" 0.0308 0.0253 0.0385 0.0175 0.0178 0.0292 0.0311 0.0608 0.0401 0.0250 0.0443 0.0295
"N-[2-(3_4-Dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide" 8.0348 0.2692 0.7719 0.4711 2.5148 0.1398 0.4433 0.5091 0.7229 1.9553 0.6582 0.2762
N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 0.0755 0.0957 0.0984 0.0642 0.0726 0.0869 0.0593 0.0988 0.0818 0.0583 0.0606 0.0532
N-(2-Cyanoethyl)-L-glutamine gamma-Glutamyl-beta-aminopropiononitrile 0.0024 0.0083 0.0110 0.0075 0.0100 0.0055 0.0075 0.0061 0.0181 0.0038 0.0034 0.0080
N2-(D-1-Carboxyethyl)-L-lysine D-Lysopine 0.0607 0.0594 0.0728 0.0467 0.0618 0.0672 0.0873 0.1020 0.0720 0.0518 0.0685 0.0389
"N2-neopentyl-5-methyl-1_3_4-thiadiazol-2-amine" 0.0453 0.0394 0.0417 0.0207 0.0193 0.0351 0.0129 0.0206 0.0182 0.0142 0.0135 0.0128
N2-Succinyl-L-arginine N2-Succinoylarginine 0.3657 0.9371 1.5542 0.6253 0.7728 0.7690 0.9650 1.3302 2.3686 0.4706 0.4238 0.6952
N3-(2-morpholinophenyl)-2-oxo-2H-chromene-3-carboxamide 0.0080 0.0043 0.0082 0.0042 0.0075 0.0056 0.0077 0.0109 0.0068 0.0064 0.0056 0.0059
"N3_N4-Dimethyl-L-arginine" 26.8199 26.6186 36.3705 15.6741 14.2796 22.9202 17.9873 29.6921 22.2919 9.2878 14.8314 10.9635
N5-Ethyl-L-glutamine N(5)-Ethyl-glutamine 0.0517 0.0426 0.0775 0.0213 0.0295 0.0326 0.0385 0.0765 0.0617 0.0221 0.0290 0.0253
N^5^-formyl-N^5^-hydroxy-L-ornithine 1.1064 2.2558 3.1250 1.2484 1.5969 1.8903 1.6915 2.6889 3.2388 1.1308 1.1652 1.0026
N5-Hydroxy-L-ornithine 0.0042 0.0045 0.0058 0.0044 0.0044 0.0062 0.0039 0.0050 0.0044 0.0020 0.0044 0.0036
N5-(L-1-Carboxyethyl)-L-ornithine N(6)-Acetyl-N(6)-hydroxy-lysine 0.0129 0.0117 0.0262 0.0053 0.0099 0.0110 0.0137 0.0216 0.0199 0.0059 0.0093 0.0061
N6-(5-Oxo-D-isoleucyl)-L-lysine 0.0037 0.0056 0.0041 0.0036 0.0032 0.0046 0.0038 0.0103 0.0064 0.0034 0.0024 0.0031
N-(6-Aminohexanoyl)-6-aminohexanoate 0.0437 0.1224 0.1828 0.0971 0.1625 0.1092 0.1491 0.1579 0.2296 0.0374 0.0726 0.1074
"N(6)_N(6)-Dimethyladenine" 0.0385 0.0257 0.0430 0.0266 0.0156 0.0335 0.0223 0.0382 0.0247 0.0220 0.0310 0.0184
"N6_N6-Dimethyllysine" N(6),N(6)-Dimethyl-lysine 5.1967 8.3314 8.6383 3.2926 4.2577 6.7280 8.9930 29.6798 5.8877 2.7280 13.3368 2.7091
"N6_N6_N6-Trimethyl-L-lysine" N-6-Trimethyllysine 0.4187 0.3749 0.5930 0.1816 0.1979 0.3153 0.4700 0.5945 0.3091 0.2185 0.2528 0.1339
NAB 0.1301 0.0037 0.0038 0.0013 0.0198 0.0038 0.0033 0.0035 0.0039 0.0452 0.0052 0.0030
N-Acetyl-beta-D-glucosaminylamine N-Acetyl-beta-glucosaminylamine 0.0113 0.0360 0.0425 0.0306 0.0404 0.0203 0.0450 0.0357 0.0607 0.0147 0.0177 0.0312
N-Acetyl-D-galactosamine N-Acetyl-D-galactosamine 0.1951 0.1817 0.1239 0.1620 0.1642 0.1365 0.1061 0.1478 0.1192 0.0804 0.1214 0.1138
N-Acetyl-D-quinovosamine 0.0137 0.0361 0.0448 0.0183 0.0253 0.0257 0.0321 0.0364 0.0424 0.0088 0.0153 0.0130
N-Acetylglutamine N-Acetylglutamine 0.0105 0.0135 0.0143 0.0068 0.0118 0.0123 0.0091 0.0121 0.0136 0.0062 0.0059 0.0066
N-Acetylhistamine N-Acetylhistamine 0.0525 0.0556 0.0615 0.0434 0.0197 0.0627 0.0148 0.0193 0.0124 0.0173 0.0216 0.0155
N-Acetyl-L-citrulline N-Acetylcitrulline 0.0134 0.0259 0.0346 0.0176 0.0253 0.0212 0.0200 0.0310 0.0338 0.0125 0.0141 0.0165
N-Acetyl-L-glutamate5-semialdehyde N-Acetyl-glutamate 5-semialdehyde 0.0387 0.0653 0.0421 0.0567 0.0614 0.0669 0.0240 0.0245 0.0256 0.0551 0.0230 0.0321
N-Acetyl-L-histidine N-Acetylhistidine 16.0399 16.5157 28.7042 23.1131 21.8773 26.3744 24.7570 26.8640 30.0530 21.0911 25.7325 31.1029
N-Acetyl-L-methionine N-Acetylmethionine 7.5155 16.8641 22.6193 10.4699 12.0974 7.4124 10.4876 15.6623 23.0184 5.1935 12.5905 6.0127
N-Acetyl-L-phenylalanine N-Acetylphenylalanine 1729.0093 2764.1057 2963.9325 1331.5817 1484.5469 1464.3951 1206.9981 1046.2663 1466.3637 572.0688 1090.7995 431.5943
N-Acetylneuraminic acid N-Acetylneuraminic acid 5.6888 6.9288 7.2960 4.2373 3.4918 6.6430 2.7160 6.2182 6.3361 3.3909 3.8061 2.4504
N-Acetylornithine N-Acetylornithine 0.3421 0.7563 0.5071 0.1963 0.4751 0.4047 0.1798 0.2321 0.1489 0.1229 0.1521 0.1132
N(alpha)-Benzyloxycarbonyl-L-leucine N-Benzyloxycarbonyl-L-leucine 0.3973 0.3996 0.4596 0.2912 0.2770 0.3661 0.4264 0.8601 0.4664 0.2488 0.4959 0.3446
N-Amidino-L-aspartate Guanidinosuccinic acid 0.0061 0.0062 0.0074 0.0051 0.0043 0.0192 0.0058 0.0066 0.0061 3.7730 0.0051 0.0040
Naphthalen-2-amine 2-Aminonaphthalene 0.0234 0.0272 0.0256 0.0272 0.0175 0.0238 0.0142 0.0263 0.0264 0.0149 0.0201 0.0154
N-Butyryl-L-homoserinelactone N-Butyryl-L-homoserine lactone 0.0250 0.0247 0.0188 0.0124 0.0181 0.0152 0.0098 0.0095 0.0135 0.0153 0.0120 0.0099
Neopterin Neopterin 0.5752 0.7056 0.5566 0.6411 0.2287 0.5163 0.3181 0.5019 0.5383 0.5998 0.6414 0.5547
Neuraminicacid Neuraminic acid 0.0207 0.0216 0.0236 0.0143 0.0179 0.0152 0.0157 0.0312 0.0243 0.0146 0.0169 0.0173
N-glycoloyl-D-mannosaminolactone 0.0351 0.0305 0.0272 0.0223 0.0066 0.0209 0.0016 0.0022 0.0022 0.0016 0.0019 0.0017
n-Hexanamide 0.9159 0.9891 1.0377 0.7902 0.8526 0.8586 1.1316 1.3179 1.1302 1.0280 0.9327 0.9464
Nicotianamine (R,S,S)-Nicotianamine 1.5402 2.4992 2.8248 0.9023 1.4461 1.9617 1.4259 1.4451 0.9685 0.6794 0.8084 0.5198
Nicotinamide Niacinamide 19.0491 21.8892 22.6349 15.6920 15.6294 15.1368 16.5755 23.8821 20.8881 9.9183 17.9508 12.7905
Nicotinamide adenine dinucleotide (NAD+) NAD 1.7223 1.7199 1.8953 1.8638 1.4380 1.7673 2.4611 2.0708 3.3111 1.7018 2.2650 2.7254
Nipradilol 0.0131 0.0048 0.0224 0.0159 0.0069 0.0143 0.0105 0.0194 0.0172 0.0089 0.0178 0.0091
Nitrosoheptamethyleneimine 0.0586 0.0629 0.0737 0.0465 0.0421 0.0508 0.0207 0.0226 0.0329 0.0146 0.0158 0.0246
N-Methylhistamine 1-Methylhistamine 0.6483 0.5395 0.7167 0.5392 0.4419 0.7983 0.4826 0.6757 0.6771 0.4567 0.6553 0.5484
N-Methylphenylethanolamine 0.0349 0.0234 0.0327 0.0088 0.0108 0.0171 0.0148 0.0348 0.0125 0.0101 0.0178 0.0033
N-Methylpyridinium N-Methylpyridinium 0.0188 0.0161 0.0212 0.0127 0.0101 0.0152 0.0235 0.0232 0.0159 0.0190 0.0324 0.0209
N-Methylpyrrolidone 0.1473 0.1976 0.1700 0.1524 0.1704 0.1748 0.1157 0.1303 0.1111 0.0886 0.1113 0.1180
"N_N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide" 0.0107 0.0092 0.0126 0.0074 0.0062 0.0086 0.0085 0.0128 0.0109 0.0070 0.0092 0.0084
"N_N-Dihydroxy-L-valine" 0.0400 0.0522 0.0343 0.0494 0.0176 0.0374 0.0247 0.0393 0.0374 0.0495 0.0592 0.0463
"N_N-dimethyl-9H-purin-6-amine" 4.9055 5.7410 6.7927 3.0075 3.5104 5.2049 2.6986 3.2035 3.3876 2.7005 2.4732 2.4426
"N_N-Dimethyl-N-phenylurea" 0.0051 0.0057 0.0065 0.0019 0.0049 0.0054 0.0053 0.0056 0.0033 0.0045 0.0060 0.0051
N-NITROSOMETHYLVINYLAMINE 0.0046 0.0036 0.0056 0.0053 0.0038 0.0067 0.0048 0.0039 0.0038 0.0059 0.0038 0.0037
NNN 0.0171 0.0059 0.0062 0.0040 0.0046 0.0064 0.0004 0.0070 0.0050 0.0101 0.0066 0.0033
Norepinephrine(Noradrenaline) Xi-Norepinephrine 0.0726 0.0026 0.0018 0.0011 0.0149 0.0011 0.0012 0.0023 0.0011 0.0194 0.0017 0.0011
norhaman 5.7316 6.3689 6.6935 3.6347 3.9244 4.2597 3.4666 7.8741 7.8992 2.1149 8.0491 2.8657
NP-003469 0.3516 0.3385 0.3384 0.4500 0.3950 0.3793 0.5097 0.5177 0.5050 0.3998 0.6001 0.5346
NP-008563 0.6113 0.6152 0.6191 1.6264 0.9012 254.7577 0.4385 0.7167 0.6444 0.4599 0.4774 0.4350
NP-008993 0.3715 0.3631 0.1581 0.4982 1.3123 25.3158 0.2727 1.1161 0.3347 0.0874 0.1481 0.7036
NP-012972 0.5468 0.1268 0.4821 0.1469 0.1403 159.4043 0.9153 0.1543 0.5750 0.3341 0.1051 0.1068
NP-015114 0.2004 0.2522 0.2495 0.1725 0.2340 0.2373 0.1825 0.2349 0.1730 0.1246 0.2047 0.1575
NP-015145 0.0408 0.0511 0.0738 0.0356 0.0647 0.0682 0.0792 0.0945 0.0820 0.0383 0.0649 0.0449
NP-020240 0.0186 0.0156 0.0178 0.0168 0.0118 0.0365 0.0158 0.0201 0.0160 0.0263 0.0272 0.0243
NP-020418 0.3056 0.9901 0.3034 0.1341 0.8111 30.0429 0.2139 0.1385 0.2081 0.2009 0.1986 0.4890
NP-021844 0.0345 0.0326 0.0474 0.0331 0.0328 0.0476 0.0390 0.0525 0.0460 0.0358 0.0450 0.0385
N-Phenylacetyl pyroglutamic acid 149.1052 4.8493 1.7545 1.3146 58.7643 1.1234 1.1436 5.2049 5.2609 44.9666 8.4013 1.1939
N-Propionylmethionine 0.1229 0.1254 0.2017 0.0606 0.0478 0.1467 0.1720 0.2095 0.1653 0.0708 0.0801 0.0442
n-Ribosylhistidine N-Ribosylhistidine 0.0110 0.0393 0.0803 0.0303 0.0243 0.0391 0.0655 0.0690 0.1188 0.0076 0.0231 0.0087
N-Ribosylnicotinamide Nicotinamide riboside 0.7551 1.2085 0.9334 0.9083 1.1854 1.0114 0.8568 1.0969 1.0819 0.8815 0.9044 0.9289
N-Tridecanoylglycine 0.2254 14.9594 0.8070 0.0912 0.8707 0.3289 3.1722 2.8464 1.1590 0.1039 0.5695 0.7700
O-heptanoylcarnitine 0.0137 0.0070 0.0091 0.0044 0.0052 0.0074 0.0059 0.0075 0.0074 0.0048 0.0082 0.0093
ON1225000 33.2692 17.7536 11.8935 14.6253 8.6017 4.7172 6.2225 5.0598 8.6329 7.3835 7.9006 3.9351
Onapristone 0.0330 0.0313 0.0305 0.0456 0.0392 0.0364 0.0397 0.0347 0.0384 0.0373 0.0391 0.0482
O-propenoyl-D-carnitine 0.3497 0.5230 0.6271 0.2882 0.4579 0.4578 0.5375 0.5683 0.4841 0.2963 0.4178 0.3571
Ornithine Ornithine 18.8212 23.5831 24.0546 18.9691 17.2058 31.4903 17.2338 17.1168 17.3799 13.6501 14.8450 13.5824
Orthophosphate Phosphoric acid 2.7359 4.0628 5.0133 2.7843 2.8656 3.8735 4.0860 5.4512 6.3100 2.8777 4.0541 3.1271
Ovothiol A 27.9593 153.9279 209.8801 82.8870 75.0679 96.4503 232.8054 236.8866 238.9497 23.0701 121.9419 100.9827
Oxibendazole 73.0795 83.3526 71.1305 67.9872 43.1422 33.1043 27.6745 32.6401 103.2130 49.4913 65.7021 26.2858
Pantetheine Pantetheine 5.2488 28.0644 20.1906 16.7978 15.3911 2.7123 11.8098 13.0732 26.2669 5.1865 12.3013 4.7312
Pantothenicacid(VitaminB5) Pantothenic acid 9.6564 7.6053 9.3685 5.7141 6.6805 5.3608 6.9746 9.5527 6.9007 5.0123 6.2079 4.6448
PEG-4 174.1332 148.1627 122.8087 99.6644 85.7021 81.6199 89.8060 95.0484 113.0364 415.1668 121.3335 67.3705
PEG n10 8.3792 10.8581 6.4789 6.5819 3.2913 4.4804 6.1087 3.8336 5.3267 300.3923 3.8954 2.4098
PEG n11 5.2001 5.5241 4.0066 3.2677 1.3033 2.4467 3.9281 2.2801 1.7247 252.4481 1.7953 1.1542
PEG n12 1.7222 3.7266 1.8100 1.1052 0.8450 1.0608 2.1842 0.8387 1.1970 222.0502 1.0462 0.5115
PEG n13 1.0737 1.5137 0.9466 1.0136 0.8997 0.5854 0.6169 0.7705 1.2521 125.1858 0.9918 0.5392
PEG n6 220.1794 156.8504 79.0692 112.9304 117.0799 156.7096 120.7116 68.8283 146.3102 1179.3503 194.7840 38.8278
PEG n7 54.4298 41.2397 36.3358 31.1420 31.6538 28.6337 27.9989 30.8219 21.1210 380.7958 30.4334 14.5460
phe-gln Phe-Gln 0.0048 0.0051 0.0043 0.0036 0.0041 0.0038 0.0038 0.0053 0.0028 0.0025 0.0043 0.0024
Phenacetin Phenacetin 0.0010 0.0022 0.0014 0.0016 0.0003 0.0006 0.0021 0.0029 0.0018 0.0009 0.0019 0.0007
Phenazone 0.0103 0.0079 0.0128 0.0129 0.0059 0.0094 0.0156 0.0172 0.0133 0.0100 0.0143 0.0091
Pheneturide 0.0704 0.0181 0.0219 0.0100 0.0261 0.0199 0.0102 0.0236 0.0171 0.0302 0.0328 0.0239
Phenylacetaldehyde Phenylacetaldehyde 0.0369 0.0372 0.0329 0.0295 0.0165 0.0370 0.0237 0.0340 0.0318 0.0211 0.0241 0.0237
Phloionolic acid Phloionolic acid 0.3288 0.3367 0.3053 0.2194 0.1955 14.1665 0.2243 0.2461 0.2962 0.1722 0.2594 0.1190
Phosphonoacetaldehyde Phosphonoacetaldehyde 2.8442 2.7005 2.9310 1.6708 1.6241 2.2657 2.3905 2.4588 2.1997 1.2241 1.5981 1.0228
Pilocarpine Pilocarpine 0.0857 0.0752 0.0990 0.0641 0.0526 0.0769 0.0682 0.1032 0.0878 0.0637 0.0841 0.0670
Piperidine Piperidine 0.3991 1.9610 0.3587 0.3298 0.2435 0.2877 0.6516 0.3539 0.2688 0.3091 0.2733 0.2130
Piperonylonitrile 30.0346 9.8246 7.8476 7.2645 13.7173 4.7668 5.1383 9.2326 14.2624 19.0603 12.5229 9.0711
Pirbuterol Pirbuterol 0.2379 0.3241 0.2706 0.1730 0.2173 0.2444 0.2225 0.2130 0.1694 0.1257 0.1618 0.1511
Pirimicarb Pirimicarb 0.0026 0.0011 0.0025 0.0005 0.0005 0.0007 0.0006 0.0021 0.0004 0.0002 0.0007 0.0004
PKF118-310 0.0350 0.0294 0.0297 0.0207 0.0081 0.0195 0.0080 0.0095 0.0061 0.0161 0.0137 0.0070
PLK 0.3657 0.4218 0.4961 0.1767 0.2307 0.3021 0.3870 0.4278 0.3183 0.2165 0.2500 0.1690
Precocene II Precocene II 2.1765 0.6160 0.8088 0.6065 5.1034 0.8352 0.4736 0.3098 0.9739 1.3390 0.5870 0.2727
Primidolol 0.0282 0.0369 0.0945 0.0107 0.0677 0.1364 0.0150 0.0843 0.0377 0.1111 0.0321 0.0131
prinoxodan 0.7995 0.7409 1.3486 0.1695 0.2196 0.5947 0.5102 0.6860 0.2390 0.3203 0.3558 0.0656
procainamide Procainamide 0.0086 0.0081 0.0098 0.0066 0.0119 0.0101 0.0105 0.0151 0.0118 0.0070 0.0119 0.0084
Proclavaminicacid Proclavaminic acid 0.0120 0.0204 0.0305 0.0108 0.0173 0.0142 0.0131 0.0270 0.0364 0.0452 0.0111 0.0097
Prolinamide 0.0193 0.0295 0.0294 0.0222 0.0224 0.0397 0.0310 0.0452 0.0272 0.0326 0.0382 0.0290
Propionylcarnitine CAR 3:0 0.4481 0.5822 0.5570 0.4329 0.5480 0.5229 0.4573 0.4750 0.3999 0.2653 0.3666 0.3660
Propofol Propofol 0.0045 0.0022 0.0042 0.0028 0.0004 0.0032 0.0040 0.0060 0.0043 0.0029 0.0003 0.0031
Pro-Pro Pro-Pro 0.0466 0.0770 0.0762 0.0476 0.0597 0.0725 0.0529 0.0659 0.0670 0.0274 0.0366 0.0386
Pseudouridine Pseudouridine 0.4119 1.0292 1.3859 0.8627 0.7744 0.7277 0.8898 1.0322 1.4634 0.2760 0.4622 0.5633
Putrescine Putrescine 6.5564 6.0600 9.7711 2.7357 3.3229 5.2426 7.4157 8.2444 5.0094 3.1827 3.6701 2.6307
PV8 3.2171 4.3210 5.1827 2.0414 1.6339 3.0498 0.9547 1.1212 0.0579 0.4251 0.6149 0.4157
Pyridinoline Pyridinoline 0.0261 0.0415 0.0528 0.0143 0.0150 0.0346 0.0307 0.0485 0.0320 0.0128 0.0283 0.0085
Pyridoxal Pyridoxal 0.1744 0.2041 0.2440 0.1046 0.1114 0.1878 0.1834 0.2396 0.2241 0.0739 0.1747 0.0908
Pyridoxamine Pyridoxamine 0.1081 0.1167 0.1515 0.1131 0.2383 0.2487 0.1793 0.1880 0.1641 0.1762 0.1522 0.2246
Pyrimidine Pyrimidine 0.5773 0.6174 0.7591 0.2563 0.2674 0.5765 0.5100 0.8608 0.3650 0.1160 0.4423 0.1368
Pyrrole Pyrrole 0.0992 0.0966 0.1246 0.1053 0.1294 0.1686 0.1319 0.0999 0.1173 0.1030 0.1360 0.1059
Queuine Queuine 0.0355 0.0288 0.0600 0.0411 0.0382 0.0663 0.1011 0.0854 0.0828 0.1306 0.1133 0.0672
"quinoxaline-2_3-dithiol" 0.0785 0.0617 0.0436 0.0480 0.1467 0.0840 0.0661 0.0305 0.0360 0.0729 0.0741 0.0456
(R)-3-Amino-2-methylpropanoate 2.1505 2.4736 2.7932 2.6454 3.0498 2.9984 3.4103 3.7827 3.7328 3.2481 3.4227 3.3035
(R)-3-hydroxybutyrylcarnitine CAR 4:0;3OH 0.5273 0.6842 0.8802 0.3168 0.4812 0.4892 0.6282 0.7878 0.6510 0.3843 0.5164 0.4028
(+)-Retronecine Retronecine 0.0208 0.0156 0.0201 0.0310 0.0197 0.0240 0.0279 0.0547 0.0404 0.0367 0.0453 0.0438
Rilmenidine Rilmenidine 0.0419 0.0294 0.0465 0.0271 0.0194 0.0284 0.0371 0.0647 0.0565 0.0350 0.0485 0.0410
Rishitin Rishitin 0.4190 0.5836 0.4210 0.2718 2.3464 58.0729 0.2578 0.3140 3.3789 0.5704 1.1132 0.1526
(R)-N-Methylcoclaurine 4.7931 0.6426 0.7132 0.3975 6.6956 0.3258 0.3620 0.4089 0.6758 2.0847 0.9814 0.2304
Ro 20-1724 0.0209 0.0506 0.0727 0.0358 0.0426 0.0322 0.0545 0.0623 0.0681 0.0066 0.0253 0.0405
robustine Robustine 13.7158 0.9290 0.7656 0.5611 3.7141 0.4302 0.5232 0.6170 0.9852 6.5120 0.7408 0.3570
(S)-2-Acetolactate (S)-2-Acetolactate 0.0074 0.0124 0.0096 0.0088 0.0121 0.0101 0.0084 0.0113 0.0107 0.0092 0.0090 0.0088
S-(2-Methylbutanoyl)-dihydrolipoamide 0.0289 0.0201 0.0012 0.0020 0.0011 0.0029 0.0227 0.0509 0.0353 0.0259 0.0332 0.0258
(S)-4-Amino-5-oxopentanoate 0.0875 0.1021 0.1026 0.0526 0.0693 0.0780 0.0748 0.0817 0.0485 0.0500 0.0478 0.0333
(S)-4-Hydroxymandelonitrile 4-Hydroxymandelonitrile 116.6110 130.1024 126.8232 85.8750 98.6055 68.7338 108.6096 124.8227 199.0497 60.0882 143.6084 57.9390
S-Acetylthioethanolamine 0.0106 0.0121 0.0165 0.0217 0.0113 0.0164 0.0023 0.0057 0.0033 0.0055 0.0051 0.0041
S-Adenosylhomocysteine S-Adenosylhomocysteine 0.1046 0.1203 0.1267 0.1161 0.1480 0.1181 0.1484 0.1394 0.1266 0.0987 0.1134 0.1066
S-Adenosylmethionine S-Adenosylmethionine 0.1285 0.1170 0.2189 0.0757 0.1626 0.1851 0.3127 0.4455 0.2302 0.1624 0.2304 0.1377
Salsolinol Salsolinol 22.0786 29.2969 39.4274 15.7568 17.0226 18.0438 14.5776 32.3286 50.7010 7.0765 20.4563 8.6849
S-Aminoethyl-L-cysteine 0.0052 0.0043 0.0056 0.0049 0.0045 0.0065 0.0091 0.0122 0.0096 0.0084 0.0112 0.0107
(S)-Carnitine Carnitine 0.0077 0.0132 0.0116 0.0089 0.0095 0.0088 0.0114 0.0622 0.0128 0.0049 0.0467 0.0065
Secnidazole 0.0153 0.0103 0.0090 0.0069 0.0171 0.0095 0.0085 0.0159 0.0080 0.0216 0.0076 0.0081
Secogalioside Secogalioside 0.0330 0.0386 0.0332 0.0260 0.0234 0.0279 0.0272 0.0256 0.0308 0.0181 0.0302 0.0200
Selsun 0.0095 0.0108 0.0126 0.0206 0.0232 0.0161 0.0149 0.0116 0.0146 0.0143 0.0159 0.0186
Sepiapterin Sepiapterin 0.0532 0.0114 0.0086 0.0143 0.0486 0.0058 0.0041 0.0048 0.0149 0.0473 0.0063 0.0075
ser-arg Ser-Arg 0.0162 0.0230 0.0422 0.0157 0.0235 0.0287 0.0271 0.0360 0.0460 0.0129 0.0139 0.0162
ser-gln Ser-Gln 0.0160 0.0323 0.0510 0.0271 0.0355 0.0351 0.0259 0.0357 0.0501 0.0139 0.0181 0.0252
Serotonin Serotonin 0.0436 0.0492 0.0623 0.0350 0.0226 0.0899 0.0529 0.0506 0.0418 0.0199 0.0284 0.0476
Ser-Ser Ser-Ser 0.7915 2.6917 3.4727 1.8688 1.7044 1.3957 2.3231 2.6837 3.2660 0.5237 1.0193 1.6266
"[Similar to: 2-[(4-chlorophenyl)sulfonyl]-N_N-dimethylacetamide; ?Mass: 38.1715 Da]" 36.6587 24.7142 33.6160 21.9686 20.9447 33.0059 30.1163 23.7725 32.7775 331.3830 45.4799 17.3114
"[Similar to: 3-[5_7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3_4-dihydro-2H-1-benzopyran-3-yl]-5_7-dihydroxy-2-(4-hydroxyphenyl)-3_4-dihydro-2H-1-benzopyran-4-one; ?Mass: -57.7704 Da]" 0.1986 0.1416 0.1443 0.1078 0.1061 0.1227 0.1122 0.1416 0.1071 0.1355 0.1134 0.0972
[Similar to: 4-(acetylamino)phenyl 3-chlorobenzoate; ?Mass: 11.1428 Da] 0.0695 0.0737 0.0873 0.0561 0.0420 5.5476 0.0522 0.0526 0.0735 0.0434 0.0599 0.0643
[Similar to: (4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone; ?Mass: 38.0421 Da] 2.2398 5.0043 7.5726 5.2178 4.1584 4.0065 5.7104 3.7100 4.5620 238.5473 6.8499 2.8147
"[Similar to: (4S_6S)-1-Allyl-6-isobutyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3_4_5_6-tetrahydro-1H-azepino[5_4_3-cd]indole-4-carboxamide; ?Mass: -294.1732 Da]" 0.0986 0.0948 0.1050 0.0653 0.0600 0.0820 0.0459 0.0609 0.0579 0.0421 0.0444 0.0457
"[Similar to: 6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-2H_3H_3aH_4H_5H_8H_9H_11aH-cyclodeca[b]furan-4-yl 3-methylbutanoate; ?Mass: 122.1780 Da]" 0.0799 0.0550 0.0661 0.0568 0.0669 0.0448 0.0467 0.0566 0.0510 0.0769 0.0566 0.0538
[Similar to: Adenosine 5^-monophosphate; ?Mass: -15.9255 Da] 0.0042 0.0129 0.0066 0.0042 0.0135 0.0069 0.0052 0.0044 0.0045 0.0028 0.0037 0.0036
[Similar to: ARH; ?Mass: -137.0848 Da] 0.3323 0.3119 0.2294 0.2051 0.1767 0.2137 0.2140 0.2346 0.2270 0.1353 0.2671 0.1240
[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 131.9854 Da] 0.0150 0.0083 0.0245 0.0234 0.0249 0.0196 0.0215 0.0264 0.0235 0.0264 0.0254 0.0214
[Similar to: DL-Dipalmitoylphosphatidylcholine; ?Mass: 133.9827 Da] 0.0087 0.0070 0.0092 0.0067 0.0066 0.0086 0.0072 0.0073 0.0070 0.0097 0.0108 0.0056
[Similar to: Hexanoylcarnitine; ?Mass: -38.1236 Da] 0.0099 0.0098 0.0088 0.0121 0.0031 0.0084 0.0049 0.0053 0.0081 0.0143 0.0161 0.0123
[Similar to: N-Acetylneuraminic acid; ?Mass: 21.9952 Da] 0.0047 0.0048 0.0057 0.0040 0.0034 0.0049 0.0045 0.0050 0.0049 0.2270 0.0040 0.0032
[Similar to: N-Acetylneuraminic acid; ?Mass: 22.0317 Da] 0.0270 0.0260 0.0347 0.0081 0.0138 0.0439 0.0100 0.0218 0.0205 0.1422 0.0127 0.0061
[Similar to: NP-007994; ?Mass: -40.9675 Da] 0.0047 0.0046 0.0046 0.0026 0.0027 0.0035 0.0027 0.0053 0.0036 0.0012 0.0043 0.0029
[Similar to: PEG n10; ?Mass: -44.0267 Da] 10.1931 11.5389 7.4578 7.5009 4.4423 5.2171 6.1569 5.6356 6.0829 200.9858 4.3195 2.9649
[Similar to: PEG n7; ?Mass: 17.0262 Da] 23.0764 15.0652 21.0692 18.7524 15.2183 15.7045 16.4203 10.3509 19.6078 329.7993 24.1552 8.6842
S-Methyl-L-Cysteine-S-oxide S-Methylcysteine S-oxide 0.0042 0.0049 0.0037 0.0035 0.0033 0.0037 0.0034 0.0043 0.0043 0.0022 0.0036 0.0029
sn-glycero-3-Phosphocholine sn-Glycero-3-phosphocholine 818.0580 775.2574 865.2348 458.7430 464.8619 638.7743 665.9743 721.3455 624.1703 364.3585 482.0007 296.3450
sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 0.2956 0.3047 0.2759 0.2623 0.3087 0.2964 0.3285 0.2989 0.2726 0.2211 0.3250 0.2300
S-OXY CYSTEINE 0.0522 0.0637 0.0622 0.0008 0.0113 0.0310 0.0033 0.0069 0.0043 0.0074 0.0069 0.0119
Spermic acid 0.0216 0.0184 0.0400 0.0101 0.0132 0.0134 0.0205 0.0463 0.0353 0.0092 0.0184 0.0123
spinacine 0.0818 0.0853 0.0877 0.0454 0.0498 0.0530 0.0973 0.0916 0.0834 0.0395 0.0492 0.0423
Stachydrine Stachydrine 0.7612 0.8734 1.0032 0.6427 0.7909 0.9042 0.7006 0.9704 0.5730 0.4394 0.7173 0.5408
Subaphyllin 0.0058 0.0295 0.0357 0.0253 0.0209 0.0199 0.0161 0.0251 0.0368 0.0043 0.0084 0.0174
Sulcatone Sulcatone 3.9942 1.3298 4.6464 4.4053 2.5588 3.4235 2.3143 1.1588 2.3367 1.7130 1.3493 2.2537
Sumatriptan Sumatriptan 0.0039 0.0069 0.0084 0.0037 0.0051 0.0059 0.0037 0.0126 0.0101 0.0044 0.0094 0.0077
Taurine Taurine 5.0418 5.5926 5.7615 5.5038 6.1077 6.2248 5.5016 6.2894 5.8117 4.1266 5.6311 5.3077
Tauropine Tauropine 0.1783 0.2087 0.2124 0.1273 0.1652 0.1615 0.1150 0.1586 0.1783 0.0863 0.1291 0.1448
Tetrahydropteridine Tetrahydropteridine 0.0060 0.0064 0.0086 0.0036 0.0033 0.0071 0.0036 0.0041 0.0042 0.0032 0.0028 0.0031
Tetramethylene sulfoxide 20.8642 26.1914 21.8347 31.6184 23.9617 10.3852 10.3636 15.8606 40.6964 13.8037 23.9286 16.2657
tetridamine 0.0008 0.0009 0.0010 0.0008 0.0007 0.0013 0.0008 0.0014 0.0012 0.0004 0.0011 0.0010
Thiamine Thiamine 17.4191 14.2780 17.4561 27.3744 19.5794 23.2520 21.7295 31.4266 27.0193 27.0226 29.3233 28.3824
thr-arg Thr-Arg 0.6174 1.0758 1.5605 0.6468 0.8776 1.0218 0.8421 1.0397 1.5996 0.4343 0.5250 0.6465
Threonine Threonine 1.5687 1.8795 2.4349 1.7170 1.5439 1.6106 2.1988 3.5353 2.7990 1.1368 2.2686 2.1691
Threonylglutamine Thr-Gln 0.0361 0.0630 0.0682 0.0370 0.0572 0.0565 0.0554 0.0614 0.0714 0.0286 0.0400 0.0443
Threonylserine Thr-Ser 0.0071 0.0023 0.0070 0.0019 0.0023 0.0021 0.0030 0.0071 0.0059 0.0056 0.0020 0.0058
THTA 2-Tetrahydrothiopheneacetic acid 0.1231 0.2191 0.2474 0.1412 0.1735 0.1901 0.1367 0.2548 0.3128 0.1267 0.1649 0.1240
Tiglylcarnitine CAR 4:1;2Me 0.0241 0.0203 0.0090 0.0207 0.0196 0.0985 0.0207 0.0352 0.0330 0.0096 0.0168 0.0217
tolfamide 10.3388 13.0394 14.7011 7.5774 9.1355 5.0908 8.0134 9.0890 18.9789 4.6430 11.7702 3.4535
Tolperisone 0.0176 0.1486 0.1508 0.0104 0.1240 0.0894 0.0336 0.0210 0.1503 0.0115 0.0138 0.0656
tranexamic acid Tranexamic acid 0.0287 0.0348 0.0470 0.0227 0.0322 0.0300 0.0378 0.0831 0.0306 0.0194 0.0441 0.0263
trans-3-Indoleacrylic acid 6.7701 7.7907 8.7818 5.9800 5.0561 6.6943 4.4771 7.8292 6.4396 3.6170 4.8538 4.0068
(-)-trans-Carveol trans-Carveol 7.2803 5.4315 1.4547 2.4253 2.8990 1.5514 2.9929 4.3540 3.8231 4.4910 2.5737 0.9579
Trigonelline Trigonelline 3.0149 2.5439 4.1720 1.5423 1.5994 1.8255 3.0960 13.2291 4.4170 2.3676 6.1249 2.8368
Tris(hydroxymethyl)aminomethane 2-Amino-2-methylol-propane-1,3-diol 0.2078 0.1586 0.1071 0.0565 0.0470 0.0557 0.1356 0.1024 0.1057 17.6656 0.0641 0.0671
Troxacitabine 0.0006 0.0006 0.0007 0.0007 0.0006 0.0009 0.0011 0.0013 0.0009 0.0006 0.0012 0.0007
UDP-D-galacturonate 0.0058 0.0061 0.0063 0.0044 0.0051 0.0053 0.0055 0.0081 0.0072 0.0052 0.0065 0.0052
UDP-N-acetylglucosamine UDP-N-acetylglucosamine 1.1286 1.1954 1.2481 0.7135 0.6760 0.9366 0.9457 1.1337 1.2374 0.6281 0.7660 0.6209
UF7990000 0.0027 0.0024 0.0019 0.0013 0.0012 0.0013 0.0009 0.0019 0.0014 0.0011 0.0012 0.0007
"Uracil - C13_N15" 25 25 25 25 25 25 25 25 25 25 25 25
Urocanic acid Urocanic acid 0.5532 0.4534 0.3122 0.5438 0.1653 13.3157 0.3071 0.2905 0.1400 0.3877 0.6042 0.1594
US4550000 0.2820 0.0487 0.0655 0.0252 0.0339 0.0424 0.0362 0.0641 0.0341 0.1402 0.0272 0.0235
UV9702000 0.0031 0.0006 0.0029 0.0023 0.0022 0.0026 0.0028 0.0047 0.0044 0.0018 0.0039 0.0033
Valerophenone;1-phenylpentan-1-one 9.9704 3.6669 0.2156 0.3965 4.9331 4.2775 2.4077 2.9600 4.4408 4.2386 1.4557 0.9050
Val-lys Val-Lys 0.1337 0.3498 0.2723 0.0800 0.3484 0.2229 0.2408 0.5586 0.3222 0.1744 0.1991 0.1752
Val-Met Val-Met 0.0024 0.0135 0.0169 0.0066 0.0117 0.0096 0.0118 0.0124 0.0184 0.0034 0.0081 0.0077
valpromide 0.0988 0.0343 0.0547 0.0613 0.0216 0.0349 0.0538 0.0283 0.0302 0.0500 0.0248 0.0240
Valylglutamine Val-Gln 0.0168 0.0525 0.0674 0.0362 0.0495 0.0398 0.0426 0.0520 0.0754 0.0201 0.0208 0.0316
Vinylbital 1729.0093 2764.1057 2963.9325 1331.5817 1484.5469 1464.3951 1206.9981 1046.2663 1466.3637 572.0688 1090.7995 431.5943
Voglibose 0.0086 0.0039 0.0074 0.0014 0.0006 0.0031 0.0036 0.0087 0.0007 0.0010 0.0025 0.0005
WS1228A 0.0020 0.0011 0.0088 0.0013 0.0012 0.0017 0.0032 0.0048 0.0030 0.0028 0.0034 0.0023
Xanthine Xanthine 1.3266 1.3486 1.5242 0.8794 0.2811 0.8756 0.3019 0.3355 0.3344 0.3444 0.5430 0.2463
Xanthopterin Xanthopterin 0.4630 1.2015 0.9762 1.3793 0.7209 1.2088 0.5091 0.5438 0.6403 0.3213 0.6062 0.5698
Xanthosine Xanthosine 0.0264 0.0229 0.0281 0.0098 0.0081 0.0156 0.0084 0.0080 0.0065 0.0052 0.0109 0.0035
XJ5104000 5.6549 4.4438 5.3821 0.9786 1.1569 1.3453 2.7503 5.0752 2.2161 1.1916 1.9936 0.2055
Zalcitabine Zalcitabine 17.3814 18.9358 22.0020 18.7046 20.9150 21.3862 31.8596 39.6234 28.0106 25.3460 34.9563 26.0794
Zearalenone Zearalenone 0.0010 0.0016 0.0015 0.0014 0.0019 0.0012 0.0007 0.0010 0.0009 0.0004 0.0008 0.0012
"(Z)-N-(6-Amino-2-{(Z)-[(2_3-dihydroxyphenyl)(hydroxy)methylene]amino}-1-hydroxyhexylidene)serine" 0.0019 0.0001 0.0001 0.0001 0.0010 0.0001 0.0001 0.0002 0.0001 0.0012 0.0001 0.0001
Zonisamide Zonisamide 0.1754 0.0883 0.1697 0.1486 0.0444 0.0665 0.7044 0.0300 0.0671 0.0284 0.9895 0.2238
(Z)-thiofanox 0.0010 0.0026 0.0028 0.0014 0.0021 0.0019 0.0018 0.0026 0.0027 0.0008 0.0013 0.0020
β-D-Ribofuranosylcreatine 0.1986 0.3006 0.1897 0.1856 0.2402 0.1893 0.2557 0.2584 0.1589 0.1881 0.2168 0.1393
γ-Glu-Gly gamma-Glutamylglycine 0.4616 0.7297 0.7662 0.3460 0.4669 0.4279 0.6288 0.7403 0.5091 0.1799 0.3466 0.3033