Sample Name Metabolite Name Units (Exact mass, m/z) Single Field CCS (Å2) KEGG_ID 1 BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE 664.1169 227.5 C00003 2 BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE 686.0989 222.7 C00003 3 BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE 702.0728 C00003 4 GLUTAMINE 147.077 130.9 C00064 5 HYPOTAURINE 110.0276 125.4 C00519 6 INOSINE MONOPHOSPHATE 349.0549 174.3 C00130 7 INOSINE MONOPHOSPHATE 371.0369 170.8 C00130 8 INOSINE MONOPHOSPHATE 387.0108 C00130 9 INOSINE MONOPHOSPHATE 387.0108 C00130 10 CITRATE 215.0168 143.1 C00158 11 THREONINE 120.0661 126.7 C00188 12 THREONINE 142.048 C00188 13 PURINE 121.0514 121.9 C15587 14 PURINE 143.0334 C15587 15 N-ACETYLNEURAMINATE 310.1138 166.5 C00270 16 N-ACETYLNEURAMINATE 332.0958 168.7 C00270 17 N-ACETYLNEURAMINATE 348.0697 C00270 18 N-ACETYLNEURAMINATE 348.0697 C00270 19 N-ACETYLNEURAMINATE 348.0697 C00270 20 KYNURENINE 209.0926 149.3 C00328 21 KYNURENINE 209.0926 149.3 C00328 22 KYNURENINE 231.0746 152.8 C00328 23 KYNURENINE 231.0746 152.8 C00328 24 PYRIMIDINE 81.0453 C00396 25 ASPARTATE 134.0453 C16433 26 ASPARTATE 134.0453 C00402 27 URATE 169.0362 130.7 C00366 28 CYTIDINE 244.0933 151 C00475 29 CYTIDINE 266.0753 159.7 C00475 30 CYTIDINE 282.0492 C00475 31 SERINE 128.0324 C00065 32 CYSTEINE 122.0276 C00097 33 CITRULLINE 176.1035 137.7 C00327 34 CITRULLINE 198.0855 139.4 C00327 35 CITRULLINE 214.0594 C00327 36 TAURINE 126.0225 134.2 C00245 37 TAURINE 126.0225 128.2 C00245 38 TAURINE 148.0044 C00245 39 GLUCONOLACTONE 201.0375 144.7 C00198 40 GLUCONOLACTONE 201.0375 144.7 C00198 41 NICOTINATE 124.0399 124 C00253 42 INOSINE 307.0445 170.2 C00294 43 INOSINE 269.0886 C00294 44 INOSINE 291.0705 170.8 C00294 45 GAMMA-AMINOBUTYRATE 142.027 C00334 46 GAMMA-AMINOBUTYRATE 126.0531 C00334 47 GAMMA-AMINOBUTYRATE 104.0712 C00334 48 CYTOSINE 134.033 C00380 49 CYTOSINE 150.007 C00380 50 CYTOSINE 112.0511 117.5 C00380 51 CYTOSINE 112.0511 122.8 C00380 52 ISOLEUCINE 132.1025 133 C00407 53 PYRAZOLE 69.0453 C00481 54 GLUTAMATE 170.0429 C00025 55 GLUTAMATE 148.061 131.1 C00025 56 GLUTAMATE 186.0169 149.8 C00025 57 ASCORBATE 199.0219 141.6 C00072 58 P-HYDROXYPHENYLACETATE 175.0371 C00642 59 P-HYDROXYPHENYLACETATE 153.0552 C00642 60 P-HYDROXYPHENYLACETATE 191.0111 C00642 61 N-ACETYLGLUCOSAMINE 244.0797 150.7 C00140 62 N-ACETYLGLUCOSAMINE 260.0536 C00140 63 N-ACETYLGLUCOSAMINE 244.0797 157.8 C00140 64 GLYCOLATE 77.0239 C00160 65 SARCOSINE 128.0114 C00213 66 SARCOSINE 90.0555 C00213 67 SARCOSINE 112.0374 C00213 68 GLUCONATE 219.0481 146.2 C00257 69 GLUCONATE 219.0481 146.2 C00257 70 QUINATE 215.0532 151.7 C06746 71 DIHYDROOROTATE 181.0225 C00337 72 DIHYDROOROTATE 159.0406 C00337 73 DIHYDROOROTATE 196.9965 C00337 74 MALONATE 127.0007 C00383 75 PIPECOLATE 168.0427 C00408 76 PIPECOLATE 168.0427 C00408 77 PIPECOLATE 152.0687 139.4 C00408 78 PIPECOLATE 152.0687 139.4 C00408 79 PIPECOLATE 130.0868 127.7 C00408 80 PIPECOLATE 130.0868 127.7 C00408 81 FORMAMIDE 46.0293 C00488 82 GLYCINE 76.0399 C00037 83 METHIONINE 172.0408 C00073 84 METHIONINE 150.0589 133.1 C00073 85 TETRAHYDROFOLATE 446.1788 C00101 86 ADENINE 174.0182 C00147 87 ADENINE 174.0182 C00147 88 ADENINE 136.0623 124.9 C00147 89 ADENINE 136.0623 124.9 C00147 90 ADENINE 158.0443 137.4 C00147 91 ADENINE 158.0443 137.4 C00147 92 METHYLTHIOADENOSINE 298.0974 170.7 C00170 93 METHYLTHIOADENOSINE 298.0974 162.5 C00170 94 METHYLTHIOADENOSINE 320.0793 172.4 C00170 95 THYMIDINE 281.054 C00214 96 THYMIDINE 265.08 161.6 C00214 97 GLYCERATE 144.9903 C00258 98 GLYCERATE 144.9903 C00258 99 OROTATE 157.0249 C00295 100 OROTATE 157.0249 C00295 101 ETHANOLAMINE PHOSPHATE 164.0089 C00346 102 ETHANOLAMINE PHOSPHATE 142.0269 C00346 103 XANTHINE 175.0232 C00385 104 XANTHINE 153.0412 129.9 C00385 105 DIHYDROFOLATE 444.1632 C00415 106 CYSTINE 278.9876 C01420 107 CYSTINE 241.0317 149.4 C01420 108 CYSTINE 263.0136 151.2 C01420 109 L-ALANINE 90.0555 C00041 110 TRYPTOPHAN 243.0536 C00078 111 TRYPTOPHAN 243.0536 C00525 112 TRYPTOPHAN 205.0977 150.1 C00078 113 TRYPTOPHAN 205.0977 150.1 C00525 114 TRYPTOPHAN 227.0796 147.6 C00078 115 TRYPTOPHAN 227.0796 147.6 C00525 116 URIDINE MONOPHOSPHATE 325.0437 165.7 C00105 117 URIDINE MONOPHOSPHATE 347.0256 172.3 C00105 118 URIDINE MONOPHOSPHATE 362.9996 C00105 119 URIDINE MONOPHOSPHATE 362.9996 C00105 120 PROLINE 154.027 C16435 121 PROLINE 116.0712 125.1 C16435 122 PROLINE 138.0531 C16435 123 THYMINE 127.0508 122.1 C00178 124 SUCCINATE SEMIALDEHYDE 103.0395 C00232 125 LACTATE 91.0395 C01432 126 URIDINE 267.0593 160.9 C00299 127 URIDINE 283.0332 C00299 128 URIDINE 245.0774 C00299 129 FRUCTOSE BISPHOSPHATE 341.0039 C00354 130 CARNOSINE 227.1144 150.8 C00386 131 CARNOSINE 249.0964 154.7 C00386 132 CARNOSINE 265.0703 C00386 133 NICOTINAMIDE 123.0558 125.3 C00153 134 NICOTINAMIDE 161.0117 C00153 135 NICOTINAMIDE 145.0378 C00153 136 SHIKIMATE 197.0426 C00493 137 SUCCINATE 141.0164 C00042 138 PHENYLALANINE 188.0687 138.3 C02057 139 PHENYLALANINE 166.0868 140.2 C02057 140 URACIL 113.0351 C00106 141 URACIL 135.017 C00106 142 MALATE 172.9852 C00149 143 MALATE 172.9852 C00497 144 MALATE 157.0113 C00149 145 MALATE 157.0113 C00497 146 ASPARTATE 156.0273 C16433 147 ASPARTATE 156.0273 C00402 148 ASPARTATE 134.0453 C16433 149 ASPARTATE 134.0453 C00402 150 DEOXYCYTIDINE MONOPHOSPHATE 330.0467 157 C00239 151 DEOXYCYTIDINE MONOPHOSPHATE 330.0467 164.7 C00239 152 DEOXYCYTIDINE MONOPHOSPHATE 308.0648 C00239 153 HYPOXANTHINE 137.0463 127.2 C00262 154 HYPOXANTHINE 175.0022 C00262 155 HYPOXANTHINE 159.0283 134.4 C00262 156 CREATINE 132.0773 126 C00300 157 CREATINE 154.0592 C00300 158 CREATINE 170.0332 C00300 159 L-DOPA 220.0586 147.5 C00355 160 L-DOPA 198.0766 149.4 C00355 161 GUANOSINE 284.0995 163.4 C00387 162 GUANOSINE 306.0814 174.9 C00387 163 GUANOSINE 322.0554 174.3 C00387 164 DIHYDROURACIL 137.0327 C00429 165 DIHYDROURACIL 153.0066 C00429 166 DIHYDROURACIL 115.0508 C00429 167 MALATE 172.9852 C00149 168 MALATE 172.9852 C00497 169 MALATE 157.0113 C00149 170 MALATE 157.0113 C00497 171 LYSINE 169.0953 C00047 172 LYSINE 169.0953 C00047 173 LYSINE 147.1134 131.4 C00047 174 LYSINE 147.1134 131.4 C00047 175 TYROSINE 204.0637 143.6 C01536 176 TYROSINE 182.0817 145.8 C01536 177 GLYCEROL 115.0371 C00116 178 ASPARAGINE 171.0172 C00152 179 ASPARAGINE 155.0433 129.5 C00152 180 ASPARAGINE 133.0613 C00152 181 VALINE 156.0427 C16436 182 VALINE 140.0687 133.4 C16436 183 VALINE 118.0868 120.9 C16436 184 GUANINE 152.0572 129.9 C00242 185 GUANINE 174.0392 137.8 C00242 186 GUANINE 190.0131 136 C00242 187 HOMOSERINE 142.048 C00263 188 HOMOSERINE 120.0661 125.9 C00263 189 PYRIDOXINE 208.0376 C00314 190 PYRIDOXINE 170.0817 134.4 C00314 191 PYRIDOXINE 192.0637 144.3 C00314 192 DEOXYADENOSINE MONOPHOSPHATE 354.0579 173 C00360 193 DEOXYADENOSINE MONOPHOSPHATE 332.076 168.5 C00360 194 TARTRATE 173.0062 C02107 195 TARTRATE 173.0062 C00898 196 NICOTINAMIDE MONONUCLEOTIDE 335.0644 166 C00455 197 FOLATE 480.1034 C00504 198 FOLATE 442.1475 196.2 C00504 199 FOLATE 464.1295 205.7 C00504 200 ISOCITRATE 215.0168 142.7 C00311 201 THIOUREA 77.0173 C14415 202 DIETHANOLAMINE 128.0687 C06772 203 DIETHANOLAMINE 106.0868 121.8 C06772 204 AMINOISOBUTANOATE 104.0712 123.7 C05145 205 AMINOISOBUTANOATE 126.0531 C05145 206 AMINOISOBUTANOATE 142.027 C05145 207 CYS-GLY 179.049 C01419 208 2-PHOSPHOGLYCERATE 187.0008 134.3 - 209 2-PHOSPHOGLYCERATE 208.9827 141.9 - 210 GUANIDINOACETATE 118.0617 124.9 C00581 211 GUANIDINOACETATE 156.0175 C00581 212 GUANIDINOACETATE 140.0436 134.6 C00581 213 CREATININE 152.0226 C00791 214 CREATININE 136.0487 132.8 C00791 215 CREATININE 114.0667 123.2 C00791 216 N-ACETYLTRYPTOPHAN 269.0902 158.5 - 217 N-ACETYLTRYPTOPHAN 247.1083 153.8 - 218 TRANS-ACONITATE 175.0243 C02341 219 N-ACETYLMANNOSAMINE 244.0797 150.2 C00645 220 GLUCOSE 6-PHOSPHATE 283.0195 158.1 C00092 221 GLUCOSE 6-PHOSPHATE 283.0195 158.1 C00092 222 DIAMINOPIMELATE 191.1032 141.1 C00666 223 DIAMINOPIMELATE 229.0591 146.3 C00666 224 DIAMINOPIMELATE 213.0851 145 C00666 225 AMINOADIPATE 200.0325 C00956 226 AMINOADIPATE 184.0586 139.2 C00956 227 AMINOADIPATE 162.0766 134.6 C00956 228 DEOXYCYTIDINE 250.0804 155.2 C00881 229 DEOXYCYTIDINE 228.0984 C00881 230 DEOXYCYTIDINE 266.0543 158.5 C00881 231 NORADRENALINE 208.0376 C00547 232 NORADRENALINE 192.0637 C00547 233 NORADRENALINE 170.0817 C00547 234 NORADRENALINE 152.0712 137.2 C00547 235 GLUCOSAMINE 6-PHOSPHATE 282.0355 C00352 236 GLUCOSAMINE 6-PHOSPHATE 260.0535 C00352 237 GLUCOSAMINE 6-PHOSPHATE 298.0094 C00352 238 TARTRATE 173.0062 137.6 C02107 239 TARTRATE 173.0062 137.6 C00898 240 TARTRATE 188.9801 C02107 241 TARTRATE 188.9801 C00898 242 TARTRATE 151.0243 C02107 243 TARTRATE 151.0243 C00898 244 3-DEHYDROSHIKIMATE 173.045 C02637 245 3-DEHYDROSHIKIMATE 195.0269 149.1 C02637 246 3-DEHYDROSHIKIMATE 211.0009 C02637 247 NORSPERMIDINE 170.106 C03375 248 NORSPERMIDINE 154.132 132.4 C03375 249 NORSPERMIDINE 132.1501 127.6 C03375 250 HOMOCYSTEINE 173.9991 C00155 251 HOMOCYSTEINE 136.0432 130.3 C00155 252 HOMOCYSTEINE 158.0252 C00155 253 THEOPHYLLINE 181.0726 137.2 C07130 254 THEOPHYLLINE 219.0284 C07130 255 THEOPHYLLINE 203.0545 146.8 C07130 256 LEUCINE 170.0583 C00123 257 LEUCINE 154.0844 C00123 258 LEUCINE 132.1025 134.8 C00123 259 TREHALOSE 343.124 C01083 260 TREHALOSE 365.106 175.7 C01083 261 TREHALOSE 381.0799 179.7 C01083 262 BETAINE 140.0687 133.2 C00719 263 BETAINE 156.0427 130.5 C00719 264 BETAINE 118.0868 121.1 C00719 265 TRYPTOPHAN 227.0796 147.7 C00078 266 TRYPTOPHAN 227.0796 147.7 C00525 267 TRYPTOPHAN 243.0536 C00078 268 TRYPTOPHAN 243.0536 C00525 269 TRYPTOPHAN 205.0977 150.3 C00078 270 TRYPTOPHAN 205.0977 150.3 C00525 271 3-SULFINOALANINE 175.9993 C00606 272 3-SULFINOALANINE 154.0174 133.7 C00606 273 3-SULFINOALANINE 191.9733 C00606 274 O-SUCCINYL-HOMOSERINE 258.038 C01118 275 O-SUCCINYL-HOMOSERINE 220.0821 145.9 C01118 276 O-SUCCINYL-HOMOSERINE 242.0641 145.7 C01118 277 ALLANTOIN 159.0518 C01551 278 ALLANTOIN 197.0077 C01551 279 ALLANTOIN 181.0338 142.2 C01551 280 GLYCERALDEHYDE 128.9954 C02154 281 GLYCERALDEHYDE 91.0395 C02154 282 GLYCERALDEHYDE 113.0215 C02154 283 D-GLUCURONOLACTONE 199.0219 145.2 C02670 284 D-GLUCURONOLACTONE 214.9958 C02670 285 D-GLUCURONOLACTONE 177.0399 C02670 286 (2-AMINOETHYL)PHOSPHONATE 126.032 129 C03557 287 (2-AMINOETHYL)PHOSPHONATE 148.0139 136.5 C03557 288 (2-AMINOETHYL)PHOSPHONATE 163.9879 C03557 289 SELENOMETHIONINE 219.9853 138.1 C05335 290 SELENOMETHIONINE 198.0033 135.2 C05335 291 SELENOMETHIONINE 235.9592 C05335 292 MALEIMIDE 98.0242 C07272 293 MALEIMIDE 120.0061 C07272 294 MALEIMIDE 135.9801 C07272 295 N,N-DIMETHYL-ARGININE 241.1067 C03626 296 N,N-DIMETHYL-ARGININE 225.1327 158.6 C03626 297 N,N-DIMETHYL-ARGININE 203.1508 144.9 C03626 298 GLUCOSAMINE 202.0691 143.5 C00329 299 GLUCOSAMINE 218.0431 C00329 300 GLUCOSAMINE 180.0872 141.4 C00329 301 GLUCOSAMINE 202.0691 146.5 C00329 302 GLUCOSAMINE 180.0872 138.1 C00329 303 PARAXANTHINE 219.0284 C13747 304 PARAXANTHINE 181.0726 138.7 C13747 305 PARAXANTHINE 181.0726 134 C13747 306 PARAXANTHINE 203.0545 149.5 C13747 307 ADENOSINE 5'-DIPHOSPHATE 450.0192 193.1 C00008 308 ADENOSINE 5'-DIPHOSPHATE 465.9931 C00008 309 ADENOSINE 5'-DIPHOSPHATE 428.0372 187 C00008 310 2-DEOXY-D-GLUCOSE 203.0322 C00586 311 2-DEOXY-D-GLUCOSE 187.0582 136.7 C00586 312 2-DEOXY-D-GLUCOSE 165.0763 C00586 313 1-METHYL-L-HISTIDINE 192.0749 138.4 C01152 314 1-METHYL-L-HISTIDINE 170.093 133.4 C01152 315 1-METHYL-L-HISTIDINE 208.0488 C01152 316 GALACTITOL 221.0427 C01697 317 GALACTITOL 183.0869 C01697 318 GALACTITOL 205.0688 142.2 C01697 319 OXOPROLINE 168.0063 C01879 320 OXOPROLINE 130.0504 130.3 C01879 321 OXOPROLINE 152.0324 C01879 322 4-PYRIDOXATE 184.061 135.5 C00847 323 4-PYRIDOXATE 222.0169 147.4 C00847 324 4-PYRIDOXATE 206.0429 150.2 C00847 325 QUINOLINATE 205.9856 C03722 326 QUINOLINATE 190.0116 C03722 327 QUINOLINATE 168.0297 132.3 C03722 328 METHYLGUANIDINE 112.0277 C02294 329 METHYLGUANIDINE 74.0718 C02294 330 METHYLGUANIDINE 96.0538 C02294 331 CAFFEINE 233.0441 C07481 332 CAFFEINE 217.0701 C07481 333 CAFFEINE 195.0882 140.5 C07481 334 3-HYDROXY-3-METHYLGLUTARYL-COA 950.1212 C00356 335 3-HYDROXY-3-METHYLGLUTARYL-COA 912.1653 265.4 C00356 336 3-HYDROXY-3-METHYLGLUTARYL-COA 934.1472 266.2 C00356 337 GLUCURONATE 195.0505 C00191 338 GLUCURONATE 233.0064 C00191 339 GLUCURONATE 217.0324 150.2 C00191 340 1-METHYLADENOSINE 320.0761 C02494 341 1-METHYLADENOSINE 282.1202 164.7 C02494 342 1-METHYLADENOSINE 304.1022 170.7 C02494 343 1-METHYLADENOSINE 282.1202 160 C02494 344 DEOXYURIDINE 267.0383 C00526 345 DEOXYURIDINE 251.0644 156.4 C00526 346 DEOXYURIDINE 229.0824 C00526 347 TRANS-4-HYDROXY-L-PROLINE 132.0661 127.9 C01157 348 TRANS-4-HYDROXY-L-PROLINE 132.0661 127.9 C01015 349 TRANS-4-HYDROXY-L-PROLINE 154.048 139.3 C01157 350 TRANS-4-HYDROXY-L-PROLINE 154.048 139.3 C01015 351 TRANS-4-HYDROXY-L-PROLINE 170.022 C01157 352 TRANS-4-HYDROXY-L-PROLINE 170.022 C01015 353 UROCANATE 139.0508 134.6 C00785 354 UROCANATE 177.0066 C00785 355 UROCANATE 161.0327 C00785 356 KYNURENINE 209.0926 149.6 C00328 357 KYNURENINE 209.0926 149.6 C00328 358 KYNURENINE 231.0746 153.1 C00328 359 KYNURENINE 231.0746 153.1 C00328 360 KYNURENINE 247.0485 C00328 361 KYNURENINE 247.0485 C00328 362 PYROGLUTAMATE 168.0063 C01879 363 PYROGLUTAMATE 130.0504 130.1 C01879 364 PYROGLUTAMATE 152.0324 C01879 365 4-ACETAMIDOBUTANOATE 184.0376 C02946 366 4-ACETAMIDOBUTANOATE 168.0637 135.7 C02946 367 4-ACETAMIDOBUTANOATE 146.0817 C02946 368 TRANS-CYCLOHEXANEDIOL 117.0916 C03739 369 TRANS-CYCLOHEXANEDIOL 155.0474 C03739 370 TRANS-CYCLOHEXANEDIOL 139.0735 C03739 371 MELANIN 357.0278 C05606 372 MELANIN 319.0719 C05606 373 MELANIN 341.0538 C05606 374 DOPAMINE 154.0868 142.3 C03758 375 DOPAMINE 192.0427 C03758 376 DOPAMINE 176.0687 C03758 377 PUTRESCINE 127.0638 C00134 378 PUTRESCINE 127.0638 C00134 379 PUTRESCINE 111.0898 C00134 380 PUTRESCINE 111.0898 C00134 381 PUTRESCINE 89.1079 C00134 382 PUTRESCINE 89.1079 C00134 383 LYSINE 147.1134 131.2 C00047 384 LYSINE 147.1134 131.2 C00047 385 LYSINE 169.0953 135.5 C00047 386 LYSINE 169.0953 135.5 C00047 387 LYSINE 185.0692 C00047 388 LYSINE 185.0692 C00047 389 CITICOLINE 489.1152 198.3 C00307 390 CITICOLINE 511.0971 207.8 C00307 391 CITICOLINE 527.071 C00307 392 1,3-DIAMINOPROPANE 97.0742 C00986 393 1,3-DIAMINOPROPANE 113.0481 C00986 394 1,3-DIAMINOPROPANE 75.0922 C00986 395 PHOSPHOSERINE 207.9987 C01005 396 PHOSPHOSERINE 186.0167 C01005 397 PHOSPHOSERINE 223.9726 C01005 398 1-AMINOCYCLOPROPANECARBOXYLATE 140.0114 C01234 399 1-AMINOCYCLOPROPANECARBOXYLATE 124.0374 C01234 400 1-AMINOCYCLOPROPANECARBOXYLATE 102.0555 C01234 401 GLUTARYLCARNITINE 276.1447 161.1 - 402 GLUTARYLCARNITINE 314.1006 - 403 GLUTARYLCARNITINE 298.1267 167.1 - 404 CYSTATHIONINE 245.0572 147.1 C02291 405 CYSTATHIONINE 261.0311 C02291 406 CYSTATHIONINE 223.0753 147.3 C02291 407 NORVALINE 156.0427 C01799 408 NORVALINE 140.0687 133.1 C01799 409 NORVALINE 118.0868 120.9 C01799 410 3-HYDROXYMETHYLGLUTARATE 201.0165 C03761 411 3-HYDROXYMETHYLGLUTARATE 185.0426 135.9 C03761 412 3-HYDROXYMETHYLGLUTARATE 163.0606 C03761 413 PHOSPHONOACETATE 162.9772 134.5 C05682 414 PHOSPHONOACETATE 178.9512 C05682 415 PHOSPHONOACETATE 140.9953 C05682 416 PICOLINATE 161.9957 C10164 417 PICOLINATE 146.0218 C10164 418 PICOLINATE 124.0399 C10164 419 ETHANOLAMINE 62.0606 C00189 420 ETHANOLAMINE 100.0165 C00189 421 ETHANOLAMINE 84.0425 C00189 422 ARGININE 197.1014 148.6 C00062 423 ARGININE 175.1195 136.6 C00062 424 ARGININE 213.0754 C00062 425 TRANS-4-HYDROXY-L-PROLINE 170.022 C01157 426 TRANS-4-HYDROXY-L-PROLINE 170.022 C01015 427 TRANS-4-HYDROXY-L-PROLINE 154.048 139.3 C01157 428 TRANS-4-HYDROXY-L-PROLINE 154.048 139.3 C01015 429 TRANS-4-HYDROXY-L-PROLINE 132.0661 127.9 C01157 430 TRANS-4-HYDROXY-L-PROLINE 132.0661 127.9 C01015 431 FUCOSE 203.0322 C01019 432 FUCOSE 187.0582 138.7 C01019 433 FUCOSE 165.0763 C01019 434 HOMOCYSTINE 291.0449 158.8 C01817 435 HOMOCYSTINE 307.0189 C01817 436 HOMOCYSTINE 269.063 158 C01817 437 N-METHYLGLUTAMATE 162.0766 132.2 C01046 438 N-METHYLGLUTAMATE 184.0586 C01046 439 N-METHYLGLUTAMATE 200.0325 C01046 440 D-ORNITHINE 133.0977 128.1 C00515 441 D-ORNITHINE 155.0796 C00515 442 D-ORNITHINE 171.0536 C00515 443 XANTHOSINE 323.0394 173 C01762 444 XANTHOSINE 307.0655 173.3 C01762 445 XANTHOSINE 285.0835 162 C01762 446 3-METHYLCROTONYL-COA 850.1649 256.1 C03069 447 3-METHYLCROTONYL-COA 888.1208 C03069 448 3-METHYLCROTONYL-COA 872.1468 C03069 449 THYROTROPIN RELEASING HORMONE 363.1781 179.2 C03958 450 THYROTROPIN RELEASING HORMONE 401.134 C03958 451 THYROTROPIN RELEASING HORMONE 385.16 182.4 C03958 452 CYTIDINE MONOPHOSPHATE 362.0156 C00055 453 CYTIDINE MONOPHOSPHATE 362.0156 C00055 454 CYTIDINE MONOPHOSPHATE 324.0597 167 C00055 455 CYTIDINE MONOPHOSPHATE 324.0597 167 C00055 456 CYTIDINE MONOPHOSPHATE 346.0416 168 C00055 457 CYTIDINE MONOPHOSPHATE 346.0416 168 C00055 458 N-METHYLASPARTATE 186.0169 C12269 459 N-METHYLASPARTATE 148.061 130 C12269 460 N-METHYLASPARTATE 170.0429 134.7 C12269 461 GALACTARATE 249.0013 C00879 462 GALACTARATE 211.0454 C00879 463 GALACTARATE 233.0273 146.9 C00879 464 HISTIDINE 156.0773 132.1 C00135 465 HISTIDINE 156.0773 132.1 C00135 466 HISTIDINE 178.0592 134.8 C00135 467 HISTIDINE 178.0592 134.8 C00135 468 HISTIDINE 194.0332 C00135 469 HISTIDINE 194.0332 C00135 470 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE 745.0673 230.4 C00857 471 N-ACETYLASPARAGINE 213.0278 - 472 N-ACETYLASPARAGINE 197.0538 - 473 N-ACETYLASPARAGINE 175.0719 - 474 PIPECOLATE 130.0868 128 C00408 475 PIPECOLATE 130.0868 128 C00408 476 PIPECOLATE 168.0427 C00408 477 PIPECOLATE 168.0427 C00408 478 PIPECOLATE 152.0687 138.8 C00408 479 PIPECOLATE 152.0687 138.8 C00408 480 GLUCOSE 6-PHOSPHATE 283.0195 158.1 C00092 481 GLUCOSE 6-PHOSPHATE 283.0195 158.1 C00092 482 GLUCOSE 6-PHOSPHATE 298.9934 C00092 483 GLUCOSE 6-PHOSPHATE 298.9934 C00092 484 GLUCOSE 6-PHOSPHATE 261.0375 C00092 485 GLUCOSE 6-PHOSPHATE 261.0375 C00092 486 NADP 744.0833 232.6 C00006 487 NADP 782.0392 243.3 C00006 488 NADP 766.0652 240.9 C00006 489 CARBAMOYL PHOSPHATE 141.9905 C00169 490 CARBAMOYL PHOSPHATE 141.9905 C00169 491 CARBAMOYL PHOSPHATE 179.9464 C00169 492 CARBAMOYL PHOSPHATE 179.9464 C00169 493 CARBAMOYL PHOSPHATE 163.9725 C00169 494 CARBAMOYL PHOSPHATE 163.9725 C00169 495 ISOPENTENYL PYROPHOSPHATE 268.9956 C00129 496 ISOPENTENYL PYROPHOSPHATE 247.0137 C00129 497 ISOPENTENYL PYROPHOSPHATE 284.9695 C00129 498 GUANOSINE TRIPHOSPHATE 545.9804 C00044 499 GUANOSINE TRIPHOSPHATE 523.9985 C00044 500 GUANOSINE TRIPHOSPHATE 561.9544 C00044 501 DTDP-D-GLUCOSE 603.0395 C00842 502 DTDP-D-GLUCOSE 587.0655 209.9 C00842 503 DTDP-D-GLUCOSE 565.0836 C00842 504 AGMATINE SULFATE 169.0856 C00179 505 AGMATINE SULFATE 153.1116 C00179 506 AGMATINE SULFATE 131.1297 128.1 C00179 507 GLYCOLALDEHYDE 143.032 C00266 508 GLYCOLALDEHYDE 159.006 C00266 509 GLYCOLALDEHYDE 121.0501 C00266 510 DGTP 545.9595 C00286 511 DGTP 529.9855 C00286 512 DGTP 508.0036 C00286 513 N-ACETYLGLYCINE 156.0063 - 514 N-ACETYLGLYCINE 140.0324 133 - 515 N-ACETYLGLYCINE 118.0504 - 516 N-ACETYLASPARTATE 198.0378 139.3 C01042 517 N-ACETYLASPARTATE 176.0559 C01042 518 N-ACETYLASPARTATE 214.0118 C01042 519 INOSINE 5'-DIPHOSPHATE 451.0032 184 C00104 520 INOSINE 5'-DIPHOSPHATE 429.0213 186.6 C00104 521 INOSINE 5'-DIPHOSPHATE 466.9771 C00104 522 PALMITOYLCARNITINE 400.3427 213.9 C02990 523 PALMITOYLCARNITINE 438.2986 C02990 524 PALMITOYLCARNITINE 422.3246 219.7 C02990 525 DEOXYGUANOSINE-MONOPHOSPHATE 386.0268 C00362 526 DEOXYGUANOSINE-MONOPHOSPHATE 348.0709 176.9 C00362 527 DEOXYGUANOSINE-MONOPHOSPHATE 370.0529 170.7 C00362 528 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE 703.0568 C04423 529 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE 687.0829 229.7 C04423 530 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE 665.101 221.1 C04423 531 S-ADENOSYLMETHIONINE 421.127 C00019 532 S-ADENOSYLMETHIONINE 437.1009 C00019 533 S-ADENOSYLMETHIONINE 399.1451 185.7 C00019 534 6-PHOSPHOGLUCONATE 314.9883 C00345 535 6-PHOSPHOGLUCONATE 277.0325 C00345 536 6-PHOSPHOGLUCONATE 299.0144 157.6 C00345 537 ALPHA-HYDROXYISOBUTYRATE 143.0111 - 538 ALPHA-HYDROXYISOBUTYRATE 127.0371 - 539 ALPHA-HYDROXYISOBUTYRATE 105.0552 - 540 CYSTEATE 207.9682 C00506 541 CYSTEATE 191.9943 148.2 C00506 542 CYSTEATE 170.0123 140.2 C00506 543 ADENOSINE-MONOPHOSPHATE 370.0529 177 C00020 544 ADENOSINE-MONOPHOSPHATE 348.0709 171.4 C00020 545 ADENOSINE-MONOPHOSPHATE 386.0268 C00020 546 GLUCONATE 197.0661 C00257 547 GLUCONATE 197.0661 C00257 548 GLUCONATE 235.022 C00257 549 GLUCONATE 235.022 C00257 550 GLUCONATE 219.0481 146.3 C00257 551 GLUCONATE 219.0481 146.3 C00257 552 PUTRESCINE 127.0638 C00134 553 PUTRESCINE 127.0638 C00134 554 PUTRESCINE 111.0898 C00134 555 PUTRESCINE 111.0898 C00134 556 PUTRESCINE 89.1079 C00134 557 PUTRESCINE 89.1079 C00134 558 DEOXYCARNITINE 146.1181 129.7 C01181 559 DEOXYCARNITINE 184.074 C01181 560 DEOXYCARNITINE 168.1001 C01181 561 ADENOSINE 2',3'-CYCLIC PHOSPHATE 352.0423 181 C02353 562 ADENOSINE 2',3'-CYCLIC PHOSPHATE 330.0603 168.1 C02353 563 ADENOSINE 2',3'-CYCLIC PHOSPHATE 368.0162 C02353 564 ADENOSINE 2',3'-CYCLIC PHOSPHATE 352.0423 175.1 C02353 565 MEVALOLACTONE 169.0267 - 566 MEVALOLACTONE 153.0528 - 567 MEVALOLACTONE 131.0708 - 568 URIDINE DIPHOSPHATE GLUCOSE 605.0187 216.4 C00029 569 URIDINE DIPHOSPHATE GLUCOSE 605.0187 216.4 C00029 570 URIDINE DIPHOSPHATE GLUCOSE 589.0448 210.4 C00029 571 URIDINE DIPHOSPHATE GLUCOSE 589.0448 210.4 C00029 572 URIDINE DIPHOSPHATE GLUCOSE 567.0628 C00029 573 URIDINE DIPHOSPHATE GLUCOSE 567.0628 C00029 574 GAMMA,GAMMA-DIMETHYLALLYL PYROPHOSPHATE 284.9695 C00235 575 GAMMA,GAMMA-DIMETHYLALLYL PYROPHOSPHATE 247.0137 C00235 576 GAMMA,GAMMA-DIMETHYLALLYL PYROPHOSPHATE 268.9956 C00235 577 DEOXYURIDINE TRIPHOSPHATE 490.9634 185.3 C00460 578 DEOXYURIDINE TRIPHOSPHATE 468.9814 C00460 579 DEOXYURIDINE TRIPHOSPHATE 506.9373 C00460 580 PHOSPHORYLCHOLINE 184.0739 136.7 C00588 581 PHOSPHORYLCHOLINE 206.0558 147.9 C00588 582 URIDINE TRIPHOSPHATE 506.9583 188.8 C00075 583 URIDINE TRIPHOSPHATE 506.9583 188.8 C00075 584 URIDINE TRIPHOSPHATE 522.9322 C00075 585 URIDINE TRIPHOSPHATE 522.9322 C00075 586 URIDINE TRIPHOSPHATE 484.9764 187 C00075 587 URIDINE TRIPHOSPHATE 484.9764 187 C00075 588 6-HYDROXYDOPAMINE 170.0817 143 - 589 6-HYDROXYDOPAMINE 208.0376 - 590 THIAMINE 288.1021 C00378 591 THIAMINE 265.1123 162.8 C00378 592 THIAMINE 304.076 C00378 593 DGDP 450.0192 185.2 C00361 594 DGDP 465.9931 C00361 595 DGDP 428.0372 188.5 C00361 596 5-METHYLCYTOSINE 126.0667 121 C02376 597 5-METHYLCYTOSINE 126.0667 125.4 C02376 598 5-METHYLCYTOSINE 164.0226 C02376 599 5-METHYLCYTOSINE 148.0487 135.5 C02376 600 GLYCERATE 107.0344 C00258 601 GLYCERATE 107.0344 C00258 602 GLYCERATE 144.9903 C00258 603 GLYCERATE 144.9903 C00258 604 GLYCERATE 129.0164 C00258 605 GLYCERATE 129.0164 C00258 606 CYTIDINE 2',3'-CYCLIC PHOSPHATE 344.005 168 C02354 607 CYTIDINE 2',3'-CYCLIC PHOSPHATE 328.0311 167.4 C02354 608 CYTIDINE 2',3'-CYCLIC PHOSPHATE 306.0491 163.3 C02354 609 N,N,N-TRIMETHYLLYSINE 189.1603 141.8 C03793 610 N,N,N-TRIMETHYLLYSINE 227.1162 C03793 611 N,N,N-TRIMETHYLLYSINE 211.1422 C03793 612 PHOSPHOENOLPYRUVATE 190.9721 138 C00074 613 PHOSPHOENOLPYRUVATE 190.9721 138 C00074 614 PHOSPHOENOLPYRUVATE 168.9902 C00074 615 PHOSPHOENOLPYRUVATE 168.9902 C00074 616 PHOSPHOENOLPYRUVATE 206.9461 C00074 617 PHOSPHOENOLPYRUVATE 206.9461 C00074 618 URIDINE DIPHOSPHATE GLUCOSE 567.0629 C00029 619 URIDINE DIPHOSPHATE GLUCOSE 567.0629 C00029 620 URIDINE DIPHOSPHATE GLUCOSE 589.0448 210.5 C00029 621 URIDINE DIPHOSPHATE GLUCOSE 589.0448 210.5 C00029 622 URIDINE DIPHOSPHATE GLUCOSE 605.0187 216.5 C00029 623 URIDINE DIPHOSPHATE GLUCOSE 605.0187 216.5 C00029 624 GALACTOSE 1-PHOSPHATE 261.0375 C00446 625 GALACTOSE 1-PHOSPHATE 283.0195 157.7 C00446 626 GALACTOSE 1-PHOSPHATE 298.9934 158.5 C00446 627 PYRIDOXAL-PHOSPHATE 270.0143 160.8 C00018 628 PYRIDOXAL-PHOSPHATE 248.0324 151.3 C00018 629 PYRIDOXAL-PHOSPHATE 285.9883 C00018 630 DIHYDROXYACETONE PHOSPHATE 192.9878 C00111 631 DIHYDROXYACETONE PHOSPHATE 171.0058 C00111 632 DIHYDROXYACETONE PHOSPHATE 208.9617 C00111 633 PHOSPHOENOLPYRUVATE 206.9461 C00074 634 PHOSPHOENOLPYRUVATE 206.9461 C00074 635 PHOSPHOENOLPYRUVATE 190.9721 138.4 C00074 636 PHOSPHOENOLPYRUVATE 190.9721 138.4 C00074 637 PHOSPHOENOLPYRUVATE 168.9902 C00074 638 PHOSPHOENOLPYRUVATE 168.9902 C00074 639 MANNOSE 6-PHOSPHATE 283.0195 156.1 C00275 640 MANNOSE 6-PHOSPHATE 261.0375 C00275 641 MANNOSE 6-PHOSPHATE 298.9934 C00275 642 3-PHOSPHOGLYCERATE 208.9827 139.4 C00597 643 3-PHOSPHOGLYCERATE 187.0008 136.1 C00597 644 3-PHOSPHOGLYCERATE 224.9566 C00597 645 L-CARNITINE 184.095 C00318 646 L-CARNITINE 162.113 132.9 C00318 647 L-CARNITINE 200.0689 C00318 648 O-PHOSPHOETHANOLAMINE 142.0269 C00346 649 O-PHOSPHOETHANOLAMINE 164.0089 C00346 650 O-ACETYLSERINE 186.0169 C00979 651 O-ACETYLSERINE 170.0429 C00979 652 O-ACETYLSERINE 148.061 130.5 C00979 653 THYMIDINE-MONOPHOSPHATE 323.0644 C00364 654 THYMIDINE-MONOPHOSPHATE 323.0644 C00364 655 THYMIDINE-MONOPHOSPHATE 345.0464 173.5 C00364 656 THYMIDINE-MONOPHOSPHATE 345.0464 173.5 C00364 657 CYCLIC AMP 352.0423 181 C00575 658 CYCLIC AMP 352.0423 181 C00575 659 CYCLIC AMP 352.0423 188.8 C00575 660 CYCLIC AMP 352.0423 188.8 C00575 661 CYCLIC AMP 330.0603 176.8 C00575 662 CYCLIC AMP 330.0603 176.8 C00575 663 CYCLIC AMP 368.0162 C00575 664 CYCLIC AMP 368.0162 C00575 665 CYCLIC AMP 330.0603 172.6 C00575 666 CYCLIC AMP 330.0603 172.6 C00575 667 ADP-GLUCOSE 612.072 224.9 C00498 668 ADP-GLUCOSE 628.0459 225.6 C00498 669 ADP-GLUCOSE 590.0901 216.1 C00498 670 FRUCTOSE 6-PHOSPHATE 283.0195 154.4 C00085 671 FRUCTOSE 6-PHOSPHATE 298.9934 C00085 672 FRUCTOSE 6-PHOSPHATE 261.0375 C00085 673 ADENOSINE 3',5'-DIPHOSPHATE 450.0192 188 C00054 674 ADENOSINE 3',5'-DIPHOSPHATE 465.9931 C00054 675 ADENOSINE 3',5'-DIPHOSPHATE 428.0372 183.3 C00054 676 3-NITRO-L-TYROSINE 227.0668 158.2 - 677 3-NITRO-L-TYROSINE 249.0487 154.5 - 678 3-NITRO-L-TYROSINE 265.0227 - 679 P-OCTOPAMINE 192.0427 C04227 680 P-OCTOPAMINE 154.0868 C04227 681 P-OCTOPAMINE 176.0687 147.3 C04227 682 N-ALPHA-ACETYLLYSINE 189.1239 145.5 C12989 683 N-ALPHA-ACETYLLYSINE 211.1059 144.4 C12989 684 N-ALPHA-ACETYLLYSINE 227.0798 C12989 685 URIDINE DIPHOSPHATEGALACTOSE 589.0448 210.5 C00052 686 URIDINE DIPHOSPHATEGALACTOSE 605.0187 216.1 C00052 687 URIDINE DIPHOSPHATEGALACTOSE 567.0628 C00052 688 SPERMIDINE 184.1216 C00315 689 SPERMIDINE 184.1216 C00315 690 SPERMIDINE 146.1657 131.6 C00315 691 SPERMIDINE 146.1657 131.6 C00315 692 SPERMIDINE 168.1477 136.1 C00315 693 SPERMIDINE 168.1477 136.1 C00315 694 PYRIDOXAMINE 191.0796 144.1 C00534 695 PYRIDOXAMINE 207.0536 C00534 696 PYRIDOXAMINE 169.0977 133.7 C00534 697 5-AMINOLEVULINATE 154.048 C00430 698 5-AMINOLEVULINATE 132.0661 130.7 C00430 699 5-AMINOLEVULINATE 170.022 C00430 700 DEOXYURIDINE-MONOPHOSPHATE 331.0307 168.1 C00365 701 DEOXYURIDINE-MONOPHOSPHATE 309.0488 C00365 702 ADENOSINE TRIPHOSPHATE 529.9855 204.2 C00002 703 ADENOSINE TRIPHOSPHATE 529.9855 204.2 C00002 704 ADENOSINE TRIPHOSPHATE 508.0036 196.9 C00002 705 ADENOSINE TRIPHOSPHATE 508.0036 196.9 C00002 706 ADENOSINE TRIPHOSPHATE 545.9595 C00002 707 ADENOSINE TRIPHOSPHATE 545.9595 C00002 708 RIBOSE 1,5-BISPHOSPHATE 332.9753 C01182 709 RIBOSE 1,5-BISPHOSPHATE 310.9933 C01182 710 RIBOSE 1,5-BISPHOSPHATE 348.9492 C01182 711 XANTHOSINE-MONOPHOSPHATE 403.0057 C00655 712 XANTHOSINE-MONOPHOSPHATE 387.0318 176.6 C00655 713 XANTHOSINE-MONOPHOSPHATE 365.0498 175.5 C00655 714 FAD 786.165 249 C00016 715 FAD 808.1469 250.3 C00016 716 FAD 824.1208 C00016 717 DEOXYGUANOSINE 306.0605 171.4 C00330 718 DEOXYGUANOSINE 268.1046 C00330 719 DEOXYGUANOSINE 290.0865 171.7 C00330 720 OROTATE 179.0069 C00295 721 OROTATE 179.0069 C00295 722 OROTATE 194.9808 C00295 723 OROTATE 194.9808 C00295 724 OROTATE 157.0249 C00295 725 OROTATE 157.0249 C00295 726 LAUROYLCARNITINE 344.2801 199 - 727 LAUROYLCARNITINE 382.236 - 728 LAUROYLCARNITINE 366.262 209.4 - 729 1-METHYLNICOTINAMIDE 137.0715 126.2 C02918 730 1-METHYLNICOTINAMIDE 160.0613 C02918 731 1-METHYLNICOTINAMIDE 176.0352 C02918 732 SPERMINE 203.2236 148.6 C00750 733 SPERMINE 225.2055 151.5 C00750 734 SPERMINE 241.1795 C00750 735 N-ACETYLMETHIONINE 214.0514 150.1 C02712 736 N-ACETYLMETHIONINE 192.0694 C02712 737 N-ACETYLMETHIONINE 230.0253 C02712 738 CARBAMOYL PHOSPHATE 163.9725 C00169 739 CARBAMOYL PHOSPHATE 163.9725 C00169 740 CARBAMOYL PHOSPHATE 141.9905 C00169 741 CARBAMOYL PHOSPHATE 141.9905 C00169 742 CARBAMOYL PHOSPHATE 179.9464 C00169 743 CARBAMOYL PHOSPHATE 179.9464 C00169 744 PHOSPHORIBOSYL PYROPHOSPHATE 412.9416 C00119 745 PHOSPHORIBOSYL PYROPHOSPHATE 428.9155 C00119 746 PHOSPHORIBOSYL PYROPHOSPHATE 390.9596 C00119 747 AICAR 361.0525 168.8 C04677 748 AICAR 339.0706 171.8 C04677 749 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 608.0894 216.2 C00203 750 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 646.0453 227.1 C00203 751 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 630.0713 218.1 C00203 752 GLYCERALDEHYDE 3-PHOSPHATE 208.9617 C00661 753 GLYCERALDEHYDE 3-PHOSPHATE 192.9878 C00661 754 GLYCERALDEHYDE 3-PHOSPHATE 171.0059 C00661 755 CYCLIC GMP 346.0553 172.4 C00942 756 CYCLIC GMP 368.0372 184.2 C00942 757 CYCLIC GMP 384.0111 C00942 758 HOMOCYSTEINE THIOLACTONE 155.9885 - 759 HOMOCYSTEINE THIOLACTONE 118.0327 - 760 HOMOCYSTEINE THIOLACTONE 140.0146 - 761 O-PHOSPHOSERINE 223.9726 C01005 762 O-PHOSPHOSERINE 207.9987 140.8 C01005 763 O-PHOSPHOSERINE 186.0167 C01005 764 S-ADENOSYLHOMOCYSTEINE 423.0853 C00021 765 S-ADENOSYLHOMOCYSTEINE 407.1114 189 C00021 766 S-ADENOSYLHOMOCYSTEINE 385.1294 182.9 C00021 767 L-ORNITHINE 171.0536 C00077 768 L-ORNITHINE 133.0977 127.7 C00077 769 L-ORNITHINE 155.0796 C00077 770 ADENINE 158.0443 137 C00147 771 ADENINE 158.0443 137 C00147 772 ADENINE 136.0623 124.9 C00147 773 ADENINE 136.0623 124.9 C00147 774 ADENINE 174.0182 C00147 775 ADENINE 174.0182 C00147 776 NORMETANEPHRINE 206.0793 155 C05589 777 NORMETANEPHRINE 184.0974 C05589 778 NORMETANEPHRINE 222.0533 C05589 779 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE 608.0894 210.5 C00043 780 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE 630.0713 218.1 C00043 781 GUANOSINE DIPHOSPHATE 444.0322 192 C00035 782 GUANOSINE DIPHOSPHATE 466.0141 188.4 C00035 783 GUANOSINE DIPHOSPHATE 481.988 C00035 784 PHOSPHOCREATINE 234.0256 C02305 785 PHOSPHOCREATINE 234.0256 C02305 786 PHOSPHOCREATINE 212.0436 144.8 C02305 787 PHOSPHOCREATINE 212.0436 144.8 C02305 788 PHOSPHOCREATINE 249.9995 C02305 789 PHOSPHOCREATINE 249.9995 C02305 790 URIDINE DIPHOSPHATE GLUCURONIC ACID 618.998 218.6 C00167 791 URIDINE DIPHOSPHATE GLUCURONIC ACID 603.0241 211 C00167 792 URIDINE DIPHOSPHATE GLUCURONIC ACID 581.0421 C00167 793 N,N-DIMETHYLARGININE 203.1508 143.9 C03626 794 N,N-DIMETHYLARGININE 225.1327 157.2 C03626 795 N,N-DIMETHYLARGININE 241.1067 C03626 796 CYTIDINE DIPHOSPHATE 404.026 175.6 C00112 797 CYTIDINE DIPHOSPHATE 441.9819 C00112 798 CYTIDINE DIPHOSPHATE 426.008 179.9 C00112 799 SELENOCYSTAMINE 286.8968 - 800 SELENOCYSTAMINE 248.9409 135.6 - 801 SELENOCYSTAMINE 270.9229 138.6 - 802 HISTAMINE 150.0434 C00388 803 HISTAMINE 112.0875 120.4 C00388 804 HISTAMINE 134.0694 C00388 805 INDOXYL SULFATE 235.9993 C08481 806 INDOXYL SULFATE 251.9733 C08481 807 INDOXYL SULFATE 214.0174 C08481 808 ETHYL 3-UREIDOPROPIONATE 161.0926 - 809 ETHYL 3-UREIDOPROPIONATE 183.0746 - 810 ETHYL 3-UREIDOPROPIONATE 199.0485 - 811 DEOXYRIBOSE 135.0657 C01801 812 DEOXYRIBOSE 173.0216 C01801 813 DEOXYRIBOSE 157.0477 134.3 C01801 814 PHYTATE 660.8692 215.8 C01204 815 PHYTATE 682.8511 C01204 816 PHYTATE 698.8251 C01204 817 THIAMINE MONOPHOSPHATE 383.0345 C01081 818 THIAMINE MONOPHOSPHATE 367.0606 176.9 C01081 819 THIAMINE MONOPHOSPHATE 345.0786 171 C01081 820 URACIL 5-CARBOXYLATE 157.0249 C03030 821 URACIL 5-CARBOXYLATE 179.0069 139.8 C03030 822 URACIL 5-CARBOXYLATE 194.9808 C03030 823 S-HEXYL-GLUTATHIONE 414.1675 200.9 C02886 824 S-HEXYL-GLUTATHIONE 392.1855 200.5 C02886 825 S-HEXYL-GLUTATHIONE 430.1414 C02886 826 GLYOXYLATE 112.9641 C00048 827 GLYOXYLATE 75.0082 C00048 828 GLYOXYLATE 96.9902 C00048 829 GUANOSINE MONOPHOSPHATE 402.0217 C00144 830 GUANOSINE MONOPHOSPHATE 364.0658 179.5 C00144 831 GUANOSINE MONOPHOSPHATE 386.0478 174.3 C00144 832 N-ACETYLALANINE 170.022 - 833 N-ACETYLALANINE 132.0661 - 834 N-ACETYLALANINE 154.048 134.7 - 835 4-GUANIDINOBUTANOATE 168.0749 C01035 836 4-GUANIDINOBUTANOATE 184.0488 C01035 837 4-GUANIDINOBUTANOATE 146.093 130 C01035 838 HYDROXYPYRUVATE 127.0007 C00168 839 HYDROXYPYRUVATE 142.9747 C00168 840 HYDROXYPYRUVATE 105.0188 C00168 841 D-MANNOSAMINE 180.0872 138.1 C03570 842 D-MANNOSAMINE 202.0691 141.3 C03570 843 D-MANNOSAMINE 218.0431 C03570 844 CYTOCHROME C 923.2438 C00524 845 CYTOCHROME C 907.2698 C00524 846 CYTOCHROME C 885.2879 C00524 847 O-ACETYLCARNITINE 204.1236 143.5 C02571 848 O-ACETYLCARNITINE 226.1055 C02571 849 O-ACETYLCARNITINE 242.0795 C02571 850 RIBOFLAVIN 415.102 C00255 851 RIBOFLAVIN 377.1461 188.5 C00255 852 METHYL GALACTOSIDE 233.0427 C03619 853 METHYL GALACTOSIDE 195.0869 C03619 854 METHYL GALACTOSIDE 217.0688 145.4 C03619 855 GLUTARATE 133.0501 C00489 856 GLUTARATE 133.0501 C00489 857 GLUTARATE 171.006 C00489 858 GLUTARATE 171.006 C00489 859 GLUTARATE 155.032 C00489 860 GLUTARATE 155.032 C00489 861 DIHYDROXYFUMARATE 186.9645 C00975 862 DIHYDROXYFUMARATE 170.9906 C00975 863 DIHYDROXYFUMARATE 149.0086 C00975 864 CYTIDINE MONOPHOSPHATE 324.0597 166.8 C00055 865 CYTIDINE MONOPHOSPHATE 324.0597 166.8 C00055 866 CYTIDINE MONOPHOSPHATE 346.0416 167.9 C00055 867 CYTIDINE MONOPHOSPHATE 346.0416 167.9 C00055 868 CYTIDINE MONOPHOSPHATE 362.0156 C00055 869 CYTIDINE MONOPHOSPHATE 362.0156 C00055 870 GUANOSINE DIPHOSPHATE MANNOSE 628.0669 222.3 C00096 871 GUANOSINE DIPHOSPHATE MANNOSE 606.085 227.4 C00096 872 GUANOSINE DIPHOSPHATE MANNOSE 644.0409 C00096 873 5'-DEOXYADENOSINE 252.1097 158.4 C05198 874 5'-DEOXYADENOSINE 252.1097 152.3 C05198 875 5'-DEOXYADENOSINE 290.0655 C05198 876 5'-DEOXYADENOSINE 274.0916 167.2 C05198 877 GLUTATHIONE REDUCED 330.0736 167 C00051 878 GLUTATHIONE REDUCED 308.0916 167.8 C00051 879 GLUTATHIONE REDUCED 346.0475 C00051 880 ERYTHRITOL 161.0216 C00503 881 ERYTHRITOL 123.0657 C00503 882 ERYTHRITOL 145.0477 129.9 C00503 883 GLUCOSAMINATE 196.0821 141.8 C03752 884 GLUCOSAMINATE 234.038 C03752 885 GLUCOSAMINATE 218.0641 146.5 C03752 886 URIDINE TRIPHOSPHATE 522.9322 C00075 887 URIDINE TRIPHOSPHATE 522.9322 C00075 888 URIDINE TRIPHOSPHATE 506.9583 C00075 889 URIDINE TRIPHOSPHATE 506.9583 C00075 890 URIDINE TRIPHOSPHATE 484.9764 C00075 891 URIDINE TRIPHOSPHATE 484.9764 C00075 892 DEOXYADENOSINE 252.1097 158.1 C00559 893 DEOXYADENOSINE 274.0916 161.6 C00559 894 DEOXYADENOSINE 252.1097 152.3 C00559 895 DEOXYADENOSINE 290.0655 C00559 896 N-ACETYLPUTRESCINE 153.1004 134.5 C02714 897 N-ACETYLPUTRESCINE 131.1184 128.6 C02714 898 N-ACETYLPUTRESCINE 169.0743 C02714 899 N-ACETYLGALACTOSAMINE 244.0797 150.3 C01074 900 N-ACETYLGALACTOSAMINE 222.0978 C01074 901 N-ACETYLGALACTOSAMINE 260.0536 151.4 C01074 902 N-ACETYLGLUTAMATE 228.0274 C00624 903 N-ACETYLGLUTAMATE 212.0535 142.4 C00624 904 N-ACETYLGLUTAMATE 190.0715 C00624 905 2,4-DIHYDROXYPTERIDINE 165.0413 132.4 C03212 906 2,4-DIHYDROXYPTERIDINE 202.9971 C03212 907 2,4-DIHYDROXYPTERIDINE 187.0232 143.8 C03212 908 6-HYDROXYNICOTINATE 177.9907 C01020 909 6-HYDROXYNICOTINATE 162.0167 C01020 910 6-HYDROXYNICOTINATE 140.0348 128.9 C01020 911 N-ACETYLCYSTEINE 164.0381 - 912 N-ACETYLCYSTEINE 201.994 - 913 N-ACETYLCYSTEINE 186.0201 140.9 - 914 INOSINE-MONOPHOSPHATE 371.0369 170.6 C00130 915 INOSINE-MONOPHOSPHATE 387.0108 C00130 916 INOSINE-MONOPHOSPHATE 349.0549 174.1 C00130 917 PANTOTHENATE 258.0744 C00864 918 PANTOTHENATE 220.1185 129.9 C00864 919 PANTOTHENATE 242.1004 150.8 C00864 920 2-AMINOISOBUTYRATE 142.027 C03665 921 2-AMINOISOBUTYRATE 126.0531 C03665 922 2-AMINOISOBUTYRATE 104.0712 123.8 C03665 923 ANILINE-2-SULFONATE 174.0225 C06333 924 ANILINE-2-SULFONATE 211.9784 C06333 925 ANILINE-2-SULFONATE 196.0044 C06333 926 S-CARBOXYMETHYLCYSTEINE 217.9889 C03727 927 S-CARBOXYMETHYLCYSTEINE 202.015 138.2 C03727 928 S-CARBOXYMETHYLCYSTEINE 180.0331 137.1 C03727 929 RHAMNOSE 187.0582 142.6 C00507 930 RHAMNOSE 165.0763 C00507 931 RHAMNOSE 203.0322 C00507 932 THIAMINE PYROPHOSPHATE 464.0087 C00068 933 THIAMINE PYROPHOSPHATE 425.045 181.8 C00068 934 THIAMINE PYROPHOSPHATE 447.0269 186.8 C00068 935 HISTIDINOL 164.08 131.9 C00860 936 HISTIDINOL 180.0539 C00860 937 HISTIDINOL 142.098 128.7 C00860 938 THYMIDINE-MONOPHOSPHATE 361.0203 C00364 939 THYMIDINE-MONOPHOSPHATE 361.0203 C00364 940 THYMIDINE-MONOPHOSPHATE 323.0644 C00364 941 THYMIDINE-MONOPHOSPHATE 323.0644 C00364 942 THYMIDINE-MONOPHOSPHATE 345.0464 173.5 C00364 943 THYMIDINE-MONOPHOSPHATE 345.0464 173.5 C00364 944 UREIDOPROPIONATE 133.0613 C02642 945 UREIDOPROPIONATE 171.0172 C02642 946 UREIDOPROPIONATE 155.0433 132.4 C02642 947 5-AMINOPENTANOATE 118.0868 C00431 948 5-AMINOPENTANOATE 140.0687 C00431 949 5-AMINOPENTANOATE 156.0427 C00431 950 NORLEUCINE 170.0583 C01933 951 NORLEUCINE 132.1025 136 C01933 952 NORLEUCINE 154.0844 C01933 953 N-FORMYLGLYCINE 104.0348 - 954 N-FORMYLGLYCINE 126.0167 - 955 N-FORMYLGLYCINE 141.9907 - 956 ADENOSINE 268.1046 155.6 C00212 957 ADENOSINE 268.1046 161.4 C00212 958 ADENOSINE 306.0605 C00212 959 ADENOSINE 290.0865 165.5 C00212 960 RAFFINOSE 527.1588 208.9 C00492 961 RAFFINOSE 543.1327 C00492 962 RAFFINOSE 505.1769 C00492 963 MESO-TARTRATE 151.0243 C00552 964 MESO-TARTRATE 188.9801 C00552 965 MESO-TARTRATE 173.0062 C00552 966 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 221.1137 - 967 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 243.0957 157.8 - 968 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 259.0696 - 969 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 243.0957 149.1 - 970 SACCHARATE 211.0454 C00818 971 SACCHARATE 233.0273 148.3 C00818 972 SACCHARATE 249.0013 148.8 C00818 973 ADENOSINE TRIPHOSPHATE 545.9595 C00002 974 ADENOSINE TRIPHOSPHATE 545.9595 C00002 975 ADENOSINE TRIPHOSPHATE 508.0036 196.6 C00002 976 ADENOSINE TRIPHOSPHATE 508.0036 196.6 C00002 977 ADENOSINE TRIPHOSPHATE 529.9855 204 C00002 978 ADENOSINE TRIPHOSPHATE 529.9855 204 C00002 979 3-METHOXYTYROSINE 234.0742 150.4 - 980 3-METHOXYTYROSINE 212.0923 153.2 - 981 3-METHOXYTYROSINE 250.0482 - 982 LACTOSE 343.124 C00243 983 LACTOSE 365.106 175.3 C00243 984 LACTOSE 381.0799 178.6 C00243 985 3-HYDROXYBUTANOATE 143.0111 C01089 986 3-HYDROXYBUTANOATE 105.0552 C01089 987 3-HYDROXYBUTANOATE 127.0371 C01089 988 4-IMIDAZOLEACETATE 127.0508 123.9 C02835 989 4-IMIDAZOLEACETATE 149.0327 C02835 990 4-IMIDAZOLEACETATE 165.0066 C02835 991 GALACTURONATE 233.0064 C08348 992 GALACTURONATE 217.0324 145.3 C08348 993 GALACTURONATE 195.0505 C08348 994 CYTIDINE TRIPHOSPHATE 483.9923 188.4 C00063 995 CYTIDINE TRIPHOSPHATE 505.9743 192.4 C00063 996 CYTIDINE TRIPHOSPHATE 521.9482 C00063 997 CYCLIC AMP 368.0162 C00575 998 CYCLIC AMP 368.0162 C00575 999 CYCLIC AMP 352.0423 188.6 C00575 1000 CYCLIC AMP 352.0423 188.6 C00575 1001 CYCLIC AMP 352.0423 181 C00575 1002 CYCLIC AMP 352.0423 181 C00575 1003 CYCLIC AMP 330.0603 176.8 C00575 1004 CYCLIC AMP 330.0603 176.8 C00575 1005 CYCLIC AMP 330.0603 172.6 C00575 1006 CYCLIC AMP 330.0603 172.6 C00575 1007 METHIONINE SULFOXIMINE 219.0206 C03510 1008 METHIONINE SULFOXIMINE 181.0647 136.9 C03510 1009 METHIONINE SULFOXIMINE 203.0466 138.1 C03510 1010 CIS-4-HYDROXY-D-PROLINE 154.048 130.6 C01015 1011 CIS-4-HYDROXY-D-PROLINE 132.0661 128.3 C01015 1012 CIS-4-HYDROXY-D-PROLINE 170.022 C01015 1013 N1-ACETYLSPERMINE 267.2161 162 C02567 1014 N1-ACETYLSPERMINE 245.2341 158 C02567 1015 N1-ACETYLSPERMINE 283.19 C02567 1016 MESOXALATE 156.9539 C00830 1017 MESOXALATE 118.998 C00830 1018 MESOXALATE 140.98 C00830 1019 NADPH 782.0392 C00005 1020 NADPH 766.0652 240.5 C00005 1021 NADPH 744.0833 232.2 C00005 1022 3-METHYLHISTAMINE 148.0851 - 1023 3-METHYLHISTAMINE 126.1031 123.8 - 1024 3-METHYLHISTAMINE 164.059 - 1025 MALEAMATE 116.0348 C01596 1026 MALEAMATE 138.0167 C01596 1027 MALEAMATE 153.9907 C01596 1028 CHOLINE 104.1075 117.6 C00114 1029 METHYL 4-AMINOBUTYRATE 118.0868 124.6 C00334 1030 METHYL 4-AMINOBUTYRATE 140.0688 C00334 1031 METHYL 4-AMINOBUTYRATE 156.0427 C00334 1032 N-FORMYL-L-METHIONINE 178.0538 C03145 1033 N-FORMYL-L-METHIONINE 200.0357 145.3 C03145 1034 N-FORMYL-L-METHIONINE 216.0097 C03145 1035 ACETYLCHOLINE 146.1181 129.5 C01996 1036 OXALATE 128.959 C00209 1037 OXALATE 112.9851 C00209 1038 OXALATE 91.0031 C00209 1039 5-HYDROXYTRYPTOPHAN 259.0485 C01017 1040 5-HYDROXYTRYPTOPHAN 221.0926 154.5 C01017 1041 5-HYDROXYTRYPTOPHAN 243.0746 152.6 C01017 1042 D-ALANINE 90.0555 C00133¬† 1043 D-ALANINE 112.0374 C00133¬† 1044 D-ALANINE 128.0114 C00133¬† 1045 THEOBROMINE 181.0726 131.2 C07480 1046 THEOBROMINE 181.0726 136.9 C07480 1047 THEOBROMINE 203.0545 C07480 1048 THEOBROMINE 219.0284 C07480 1049 GUANIDINOSUCCINATE 214.023 C03139 1050 GUANIDINOSUCCINATE 198.0491 148 C03139 1051 GUANIDINOSUCCINATE 176.0671 136.8 C03139 1052 HISTIDINE 194.0332 C00135 1053 HISTIDINE 194.0332 C00135 1054 HISTIDINE 178.0592 134.6 C00135 1055 HISTIDINE 178.0592 134.6 C00135 1056 HISTIDINE 156.0773 131.7 C00135 1057 HISTIDINE 156.0773 131.7 C00135 1058 ALLOTHREONINE 120.0661 C05519 1059 ALLOTHREONINE 142.048 C05519 1060 ALLOTHREONINE 158.022 C05519 1061 PHOSPHOCREATINE 212.0436 144.6 C02305 1062 PHOSPHOCREATINE 212.0436 144.6 C02305 1063 PHOSPHOCREATINE 234.0256 C02305 1064 PHOSPHOCREATINE 234.0256 C02305 1065 PHOSPHOCREATINE 249.9995 C02305 1066 PHOSPHOCREATINE 249.9995 C02305 1067 SPERMIDINE 146.1657 131.4 C00315 1068 SPERMIDINE 146.1657 131.4 C00315 1069 SPERMIDINE 184.1216 C00315 1070 SPERMIDINE 184.1216 C00315 1071 SPERMIDINE 168.1477 136.5 C00315 1072 SPERMIDINE 168.1477 136.5 C00315 1073 ADENOSINE DIPHOSPHATE RIBOSE 560.0795 212.4 C00301 1074 ADENOSINE DIPHOSPHATE RIBOSE 582.0614 217.5 C00301 1075 ADENOSINE DIPHOSPHATE RIBOSE 598.0354 C00301 1076 2-METHOXYETHANOL 99.0422 - 1077 2-METHOXYETHANOL 115.0161 - 1078 2-METHOXYETHANOL 77.0603 - 1079 CITRAMALATE 171.0269 133.2 C00815 1080 CITRAMALATE 187.0009 C00815 1081 CITRAMALATE 149.045 C00815 1082 ANSERINE 241.1301 153.8 C01262 1083 ANSERINE 279.0859 C01262 1084 ANSERINE 263.112 156.2 C01262 1085 BILIVERDIN 605.2376 246.5 C00500 1086 BILIVERDIN 621.2115 C00500 1087 BILIVERDIN 583.2557 243.9 C00500 1088 5-HYDROXYLYSINE 201.0642 C16741 1089 5-HYDROXYLYSINE 163.1083 134.9 C16741 1090 5-HYDROXYLYSINE 185.0902 137.5 C16741 1091 CYSTEAMINE 78.0377 C01678 1092 CYSTEAMINE 115.9936 C01678 1093 CYSTEAMINE 100.0197 C01678 1094 OPHTHALMATE 290.1352 164.5 C21016 1095 OPHTHALMATE 312.1172 163.4 C21016 1096 OPHTHALMATE 328.0911 C21016 1097 2,3-DIAMINOPROPIONATE 127.0483 C03401 1098 2,3-DIAMINOPROPIONATE 143.0223 C03401 1099 2,3-DIAMINOPROPIONATE 105.0664 138.1 C03401 1100 TRIGONELLINE 138.0555 124 C01004 1101 TRIGONELLINE 160.0374 135.9 C01004 1102 TRIGONELLINE 176.0114 C01004 1103 EPINEPHRINE 184.0974 C00788 1104 EPINEPHRINE 206.0793 C00788 1105 EPINEPHRINE 222.0533 C00788 1106 EPINEPHRINE 166.0868 C00788 1107 3,4-DIHYDROXYPHENYLGLYCOL 171.0657 C05576 1108 3,4-DIHYDROXYPHENYLGLYCOL 193.0477 C05576 1109 3,4-DIHYDROXYPHENYLGLYCOL 209.0216 C05576 1110 CADAVERINE 141.0794 C01672 1111 CADAVERINE 125.1055 C01672 1112 CADAVERINE 103.1235 C01672 1113 2-HYDROXYBUTYRATE 105.0552 C05984 1114 2-HYDROXYBUTYRATE 127.0371 C05984 1115 2-HYDROXYBUTYRATE 143.0111 C05984 1116 COENZYME A 790.105 255.5 C00010 1117 COENZYME A 806.0789 C00010 1118 COENZYME A 768.123 241.4 C00010 1119 OXALOMALATE 228.996 C01990 1120 OXALOMALATE 244.97 C01990 1121 OXALOMALATE 207.0141 C01990 1122 INOSINE TRIPHOSPHATE 508.9876 193.6 C00081 1123 INOSINE TRIPHOSPHATE 546.9435 C00081 1124 INOSINE TRIPHOSPHATE 530.9695 197 C00081 1125 CDP-ETHANOLAMINE 469.0502 C00570 1126 CDP-ETHANOLAMINE 485.0241 C00570 1127 CDP-ETHANOLAMINE 447.0682 C00570 1128 2,5-DIMETHYLPYRAZINE 147.0325 - 1129 2,5-DIMETHYLPYRAZINE 109.0766 - 1130 2,5-DIMETHYLPYRAZINE 131.0585 - 1131 STACHYOSE 667.2297 C01613 1132 STACHYOSE 705.1856 C01613 1133 STACHYOSE 689.2116 235.1 C01613 1134 DEOXYCYTIDINE-DIPHOSPHATE 388.0311 172.1 C00705 1135 DEOXYCYTIDINE-DIPHOSPHATE 410.013 175.1 C00705 1136 DEOXYCYTIDINE-DIPHOSPHATE 425.987 C00705 1137 2,3-BUTANEDIOL 113.0578 C03044 1138 2,3-BUTANEDIOL 129.0318 C03044 1139 2,3-BUTANEDIOL 91.0759 C03044 1140 D-RIBOSE 5-PHOSPHATE 231.027 C00117 1141 D-RIBOSE 5-PHOSPHATE 253.0089 150.5 C00117 1142 D-RIBOSE 5-PHOSPHATE 268.9829 C00117 1143 HYDROXYKYNURENINE 225.0875 C02794 1144 HYDROXYKYNURENINE 247.0695 C02794 1145 HYDROXYKYNURENINE 263.0434 C02794 1146 GALACTOSAMINE 202.0691 C02262 1147 GALACTOSAMINE 180.0872 C02262 1148 GALACTOSAMINE 218.0431 C02262 1149 DEOXYADENOSINE TRIPHOSPHATE 529.9645 C00131 1150 DEOXYADENOSINE TRIPHOSPHATE 513.9906 202 C00131 1151 DEOXYADENOSINE TRIPHOSPHATE 492.0087 194.8 C00131 1152 GLYCEROL 3-PHOSPHATE 195.0034 137.1 C00093 1153 GLYCEROL 3-PHOSPHATE 210.9774 C00093 1154 GLYCEROL 3-PHOSPHATE 173.0215 C00093 1155 CYANOCOBALAMIN 1356.5831 C02803 1156 CYANOCOBALAMIN 1394.5389 C02803 1157 CYANOCOBALAMIN 678.7954 379.6 C02803 1158 CYANOCOBALAMIN 1378.565 C02803 1159 4-HYDROXY-L-PHENYLGLYCINE 168.0661 C12323 1160 4-HYDROXY-L-PHENYLGLYCINE 190.048 C12323 1161 4-HYDROXY-L-PHENYLGLYCINE 206.0219 C12323 1162 N-ACETYLSERINE 148.061 - 1163 N-ACETYLSERINE 186.0169 - 1164 N-ACETYLSERINE 170.0429 133.4 - 1165 URIDINE 5'-DIPHOSPHATE 426.992 178.5 C00015 1166 URIDINE 5'-DIPHOSPHATE 426.992 181.7 C00015 1167 URIDINE 5'-DIPHOSPHATE 442.9659 C00015 1168 URIDINE 5'-DIPHOSPHATE 405.01 176.9 C00015 1169 BETA-GLYCEROPHOSPHATE 195.0034 140.5 C02979 1170 BETA-GLYCEROPHOSPHATE 210.9774 C02979 1171 BETA-GLYCEROPHOSPHATE 173.0215 C02979 1172 GLUCOSE 1-PHOSPHATE 261.0375 C00103 1173 GLUCOSE 1-PHOSPHATE 283.0195 158.3 C00103 1174 GLUCOSE 1-PHOSPHATE 298.9934 C00103 1175 GLUCOSAMINE 6-SULFATE 260.044 C04132 1176 GLUCOSAMINE 6-SULFATE 242.0334 C04132 1177 GLUCOSAMINE 6-SULFATE 297.9999 C04132 1178 GLUCOSAMINE 6-SULFATE 282.026 C04132 1179 METHYGLUTARATE 147.0657 - 1180 METHYGLUTARATE 169.0477 137.6 - 1181 METHYGLUTARATE 185.0216 - 1182 SORBATE 135.0422 - 1183 SORBATE 151.0161 - 1184 SORBATE 113.0603 - 1185 MONOETHYLMALONATE 133.0501 - 1186 MONOETHYLMALONATE 155.032 - 1187 MONOETHYLMALONATE 171.006 - 1188 GLUCONOLACTONE 179.0556 C00198 1189 GLUCONOLACTONE 179.0556 C00198 1190 GLUCONOLACTONE 217.0114 C00198 1191 GLUCONOLACTONE 217.0114 C00198 1192 GLUCONOLACTONE 201.0375 C00198 1193 GLUCONOLACTONE 201.0375 C00198 1194 4-HYDROXYBENZOATE 139.0395 C00156 1195 4-HYDROXYBENZOATE 161.0215 C00156 1196 4-HYDROXYBENZOATE 176.9954 C00156 1197 TYRAMINE 160.0738 C00483 1198 TYRAMINE 138.0919 C00483 1199 TYRAMINE 176.0478 C00483 1200 CORTISOL 401.173 210.7 C00735 1201 CORTISOL 363.2171 188.6 C00735 1202 CORTISOL 385.1991 212.9 C00735 1203 PRENOL 125.0369 C01390 1204 PRENOL 87.081 C01390 1205 PRENOL 109.0629 C01390 1206 3-HYDROXYBENZALDEHYDE 145.0266 C03067 1207 3-HYDROXYBENZALDEHYDE 123.0446 C03067 1208 3-HYDROXYBENZALDEHYDE 161.0005 C03067 1209 XANTHURENATE 244.0012 C02470 1210 XANTHURENATE 206.0453 140.4 C02470 1211 XANTHURENATE 228.0273 147.7 C02470 1212 2-METHYLPROPANAL 73.0653 C03219 1213 2-METHYLPROPANAL 95.0473 C03219 1214 2-METHYLPROPANAL 111.0212 C03219 1215 PROPIONATE 75.0446 C00163 1216 PROPIONATE 97.0265 C00163 1217 PROPIONATE 113.0005 C00163 1218 TRIMETHYLAMINE 82.0633 C00565 1219 TRIMETHYLAMINE 98.0372 C00565 1220 TRIMETHYLAMINE 60.0813 C00565 1221 MELATONIN 233.129 153.2 C01598 1222 MELATONIN 255.1109 157.2 C01598 1223 MELATONIN 271.0849 158.3 C01598 1224 MALEATE 117.0188 C01384 1225 MALEATE 139.0007 C01384 1226 MALEATE 154.9747 C01384 1227 PENTANOATE 125.0578 C00803 1228 PENTANOATE 103.0759 C00803 1229 PENTANOATE 141.0318 C00803 1230 PROPANOATE 113.0005 C00163 1231 PROPANOATE 97.0265 C00163 1232 PROPANOATE 75.0446 C00163 1233 BILIRUBIN 607.2533 C00486 1234 BILIRUBIN 585.2713 C00486 1235 BILIRUBIN 623.2272 C00486 1236 NICOTINE 200.0716 C16150 1237 NICOTINE 162.1157 C16150 1238 NICOTINE 184.0976 C16150 1239 PREGNENOLONE SULFATE 397.2049 - 1240 PREGNENOLONE SULFATE 419.1868 - 1241 PREGNENOLONE SULFATE 435.1608 - 1242 KYNURENATE 190.0504 136.7 C01717 1243 KYNURENATE 212.0324 151.1 C01717 1244 KYNURENATE 228.0063 C01717 1245 ISOBUTYRATE 111.0422 C02632 1246 ISOBUTYRATE 127.0161 C02632 1247 ISOBUTYRATE 89.0603 C02632 1248 3-HYDROXYBENZYL ALCOHOL 125.0603 C03351 1249 3-HYDROXYBENZYL ALCOHOL 147.0422 C03351 1250 3-HYDROXYBENZYL ALCOHOL 163.0161 C03351 1251 ANILINE 94.0657 C00292 1252 ANILINE 116.0476 C00292 1253 ANILINE 132.0216 C00292 1254 ACETOIN 111.0422 C00466 1255 ACETOIN 89.0603 C00466 1256 ACETOIN 127.0161 C00466 1257 3,5-DIIODO-L-TYROSINE 471.8309 C01060 1258 3,5-DIIODO-L-TYROSINE 433.875 171.1 C01060 1259 3,5-DIIODO-L-TYROSINE 455.8569 165.2 C01060 1260 MANDELATE 153.0552 C01984 1261 MANDELATE 175.0371 C01984 1262 MANDELATE 191.0111 C01984 1263 TRYPTAMINE 183.0898 C00398 1264 TRYPTAMINE 161.1079 C00398 1265 TRYPTAMINE 199.0638 C00398 1266 BENZOATE 161.0005 C00180 1267 BENZOATE 161.0005 C00180 1268 BENZOATE 123.0446 C00180 1269 BENZOATE 123.0446 C00180 1270 BENZOATE 145.0265 C00180 1271 BENZOATE 145.0265 C00180 1272 GLUTARATE 155.032 C00489 1273 GLUTARATE 155.032 C00489 1274 GLUTARATE 171.006 C00489 1275 GLUTARATE 171.006 C00489 1276 GLUTARATE 133.0501 C00489 1277 GLUTARATE 133.0501 C00489 1278 INDOLE-3-ACETATE 214.027 C00954 1279 INDOLE-3-ACETATE 214.027 C00954 1280 INDOLE-3-ACETATE 176.0712 135.9 C00954 1281 INDOLE-3-ACETATE 176.0712 135.9 C00954 1282 INDOLE-3-ACETATE 198.0531 143.5 C00954 1283 INDOLE-3-ACETATE 198.0531 143.5 C00954 1284 CAFFEATE 203.032 C01481 1285 CAFFEATE 181.0501 C01481 1286 CAFFEATE 219.006 C01481 1287 LUMICHROME 243.0882 153.1 C01727 1288 LUMICHROME 265.0701 167.7 C01727 1289 LUMICHROME 281.0441 C01727 1290 BETA-ALANINE 112.0374 C00099 1291 BETA-ALANINE 128.0114 C00099 1292 BETA-ALANINE 90.0555 C00099 1293 N-ACETYLPHENYLALANINE 208.0974 C03519 1294 N-ACETYLPHENYLALANINE 246.0533 C03519 1295 N-ACETYLPHENYLALANINE 230.0793 149.4 C03519 1296 N-ACETYLPROLINE 180.0637 140.3 - 1297 N-ACETYLPROLINE 196.0376 - 1298 N-ACETYLPROLINE 158.0817 - 1299 L-TRYPTOPHANAMIDE 226.0956 147.7 C00977 1300 L-TRYPTOPHANAMIDE 204.1137 150.5 C00977 1301 L-TRYPTOPHANAMIDE 242.0696 C00977 1302 PHENOL 133.0056 C00146 1303 PHENOL 117.0316 C00146 1304 PHENOL 95.0497 C00146 1305 N-METHYLTRYPTAMINE 197.1055 C06213 1306 N-METHYLTRYPTAMINE 175.1235 142.5 C06213 1307 N-METHYLTRYPTAMINE 213.0794 C06213 1308 OXALOACETATE 170.9696 C00036 1309 OXALOACETATE 154.9956 C00036 1310 OXALOACETATE 133.0137 C00036 1311 2,3-DIHYDROXYBENZOATE 155.0344 C00196 1312 2,3-DIHYDROXYBENZOATE 137.0239 C00196 1313 2,3-DIHYDROXYBENZOATE 177.0164 C00196 1314 2,3-DIHYDROXYBENZOATE 192.9903 C00196 1315 2-PROPENOATE 110.9848 C00511 1316 2-PROPENOATE 73.029 C00511 1317 2-PROPENOATE 95.0109 C00511 1318 INDOLE-3-ETHANOL 184.0738 C00955 1319 INDOLE-3-ETHANOL 162.0919 133.6 C00955 1320 INDOLE-3-ETHANOL 200.0478 C00955 1321 FERULATE 233.0216 C01494 1322 FERULATE 195.0657 C01494 1323 FERULATE 217.0477 C01494 1324 GLYCOCHOLATE 488.2988 202.2 C01921 1325 GLYCOCHOLATE 466.3169 199.7 C01921 1326 GLYCOCHOLATE 504.2727 208 C01921 1327 PHENYLETHANOLAMINE 138.0919 C02735 1328 PHENYLETHANOLAMINE 160.0738 C02735 1329 PHENYLETHANOLAMINE 120.0813 C02735 1330 PHENYLETHANOLAMINE 176.0478 C02735 1331 THIOPURINE S-METHYLETHER 189.0211 145.1 C16614 1332 THIOPURINE S-METHYLETHER 204.995 C16614 1333 THIOPURINE S-METHYLETHER 167.0391 129.8 C16614 1334 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 173.0248 - 1335 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 133.0323 - 1336 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 151.0429 - 1337 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 188.9988 - 1338 GLYCOCHENODEOXYCHOLATE 450.3219 196.8 C05466 1339 GLYCOCHENODEOXYCHOLATE 488.2778 C05466 1340 GLYCOCHENODEOXYCHOLATE 472.3039 203.6 C05466 1341 BENZOATE 145.0265 C00180 1342 BENZOATE 145.0265 C00180 1343 BENZOATE 161.0005 C00180 1344 BENZOATE 161.0005 C00180 1345 BENZOATE 123.0446 C00180 1346 BENZOATE 123.0446 C00180 1347 3-AMINO-5-HYDROXYBENZOATE 192.0063 C12107 1348 3-AMINO-5-HYDROXYBENZOATE 154.0504 C12107 1349 3-AMINO-5-HYDROXYBENZOATE 176.0324 C12107 1350 3-AMINO-5-HYDROXYBENZOATE 136.0399 C12107 1351 PYROCATECHOL 149.0005 C00090 1352 PYROCATECHOL 111.0446 C00090 1353 PYROCATECHOL 133.0265 C00090 1354 3,4-DIHYDROXYBENZOATE 155.0344 C00230 1355 3,4-DIHYDROXYBENZOATE 177.0164 C00230 1356 3,4-DIHYDROXYBENZOATE 192.9903 C00230 1357 3,4-DIHYDROXYBENZOATE 137.0239 C00230 1358 CYCLOPENTANONE 85.0653 C00557 1359 CYCLOPENTANONE 107.0473 C00557 1360 CYCLOPENTANONE 123.0212 C00557 1361 PANTOLACTONE 153.0528 C01012 1362 PANTOLACTONE 131.0708 C01012 1363 PANTOLACTONE 169.0267 C01012 1364 GUAIACOL 147.0422 C01502 1365 GUAIACOL 163.0161 C01502 1366 GUAIACOL 125.0603 C01502 1367 2-HYDROXYPHENYLACETATE 175.0371 C05852¬† 1368 2-HYDROXYPHENYLACETATE 191.0111 C05852¬† 1369 2-HYDROXYPHENYLACETATE 153.0552 C05852¬† 1370 2-HYDROXYPHENYLACETATE 135.0446 C05852¬† 1371 10-HYDROXYDECANOATE 227.105 C02774 1372 10-HYDROXYDECANOATE 189.1491 C02774 1373 10-HYDROXYDECANOATE 211.131 151 C02774 1374 DIDECANOYL-GLYCEROPHOSPHOCHOLINE 566.3822 247.3 - 1375 DIDECANOYL-GLYCEROPHOSPHOCHOLINE 588.3641 252.3 - 1376 DIDECANOYL-GLYCEROPHOSPHOCHOLINE 604.3381 - 1377 2-HYDROXYPYRIDINE 96.0449 115.2 C02502 1378 2-HYDROXYPYRIDINE 118.0269 C02502 1379 2-HYDROXYPYRIDINE 134.0008 C02502 1380 3,4-DIHYDROXYPHENYLACETATE 191.032 C01161 1381 3,4-DIHYDROXYPHENYLACETATE 207.006 C01161 1382 3,4-DIHYDROXYPHENYLACETATE 169.0501 C01161 1383 N6-(DELTA2-ISOPENTENYL)-ADENINE 204.1249 145.5 C04083 1384 N6-(DELTA2-ISOPENTENYL)-ADENINE 226.1069 C04083 1385 N6-(DELTA2-ISOPENTENYL)-ADENINE 242.0808 C04083 1386 METHYL VANILLATE 183.0657 - 1387 METHYL VANILLATE 205.0477 - 1388 METHYL VANILLATE 221.0216 - 1389 2-OXOBUTANOATE 125.0215 C00109 1390 2-OXOBUTANOATE 103.0395 C00109 1391 2-OXOBUTANOATE 140.9954 C00109 1392 LIPOAMIDE 244.0232 C00248 1393 LIPOAMIDE 206.0673 C00248 1394 LIPOAMIDE 228.0493 150.4 C00248 1395 3-HYDROXYANTHRANILATE 154.0504 131.2 C00632 1396 3-HYDROXYANTHRANILATE 176.0324 C00632 1397 3-HYDROXYANTHRANILATE 192.0063 C00632 1398 3-(4-HYDROXYPHENYL)PYRUVATE 203.032 C01179 1399 3-(4-HYDROXYPHENYL)PYRUVATE 181.0501 C01179 1400 3-(4-HYDROXYPHENYL)PYRUVATE 219.006 C01179 1401 HEXANOATE 155.0474 C01585 1402 HEXANOATE 117.0916 C01585 1403 HEXANOATE 139.0735 C01585 1404 METHYLMALONATE 156.9903 C02170 1405 METHYLMALONATE 119.0344 C02170 1406 METHYLMALONATE 141.0164 C02170 1407 SEROTONIN 199.0847 C00780 1408 SEROTONIN 199.0847 C00780 1409 SEROTONIN 215.0587 C00780 1410 SEROTONIN 215.0587 C00780 1411 SEROTONIN 177.1028 C00780 1412 SEROTONIN 177.1028 C00780 1413 CORTISOL 21-ACETATE 427.2097 203 C02821 1414 CORTISOL 21-ACETATE 443.1836 207.2 C02821 1415 CORTISOL 21-ACETATE 405.2277 198.8 C02821 1416 INDOLE-3-ACETAMIDE 175.0871 137 C02693 1417 INDOLE-3-ACETAMIDE 213.043 C02693 1418 INDOLE-3-ACETAMIDE 197.0691 143.4 C02693 1419 HIPPURATE 180.0661 C01586 1420 HIPPURATE 202.048 149.6 C01586 1421 HIPPURATE 218.022 C01586 1422 ETHYLMALONATE 133.0501 - 1423 ETHYLMALONATE 155.032 - 1424 ETHYLMALONATE 171.006 - 1425 3,5-DIIODO-L-THYRONINE 563.8571 - 1426 3,5-DIIODO-L-THYRONINE 547.8832 189.4 - 1427 3,5-DIIODO-L-THYRONINE 525.9012 198.5 - 1428 FUMARATE 117.0188 C00122 1429 FUMARATE 139.0007 C00122 1430 FUMARATE 154.9747 C00122 1431 BENZALDEHYDE 107.0497 C00261 1432 BENZALDEHYDE 129.0316 C00261 1433 BENZALDEHYDE 145.0056 C00261 1434 4-HYDROXYBENZALDEHYDE 123.0446 C00633 1435 4-HYDROXYBENZALDEHYDE 145.0265 C00633 1436 4-HYDROXYBENZALDEHYDE 161.0005 C00633 1437 3-(2-HYDROXYPHENYL)PROPANOATE 205.0267 C01198 1438 3-(2-HYDROXYPHENYL)PROPANOATE 189.0528 C01198 1439 3-(2-HYDROXYPHENYL)PROPANOATE 167.0708 C01198 1440 3-METHOXYTYRAMINE 168.1025 146.7 C05587 1441 3-METHOXYTYRAMINE 190.0844 C05587 1442 3-METHOXYTYRAMINE 206.0583 C05587 1443 BENZYLAMINE 130.0633 C15562 1444 BENZYLAMINE 146.0372 C15562 1445 BENZYLAMINE 108.0813 C15562 1446 2-QUINOLINECARBOXYLATE 174.0555 132 C06325 1447 2-QUINOLINECARBOXYLATE 196.0374 C06325 1448 2-QUINOLINECARBOXYLATE 212.0114 C06325 1449 SEROTONIN 199.0847 146.9 C00780 1450 SEROTONIN 199.0847 146.9 C00780 1451 SEROTONIN 215.0587 C00780 1452 SEROTONIN 215.0587 C00780 1453 SEROTONIN 177.1028 C00780 1454 SEROTONIN 177.1028 C00780 1455 PTERIN 164.0572 128.6 C00715 1456 PTERIN 186.0392 143.4 C00715 1457 PTERIN 202.0131 C00715 1458 4-AMINOBENZOATE 160.0374 C00568 1459 4-AMINOBENZOATE 138.0555 126.9 C00568 1460 4-AMINOBENZOATE 176.0114 C00568 1461 2-AMINOPHENOL 132.0425 C01987 1462 2-AMINOPHENOL 110.0606 118.3 C01987 1463 2-AMINOPHENOL 110.0606 124.8 C01987 1464 2-AMINOPHENOL 148.0165 C01987 1465 6-CARBOXYHEXANOATE 199.0373 C02656 1466 6-CARBOXYHEXANOATE 161.0814 C02656 1467 6-CARBOXYHEXANOATE 183.0633 140 C02656 1468 INDOLE-3-PYRUVATE 204.0661 C00331 1469 INDOLE-3-PYRUVATE 226.048 C00331 1470 INDOLE-3-PYRUVATE 242.022 C00331 1471 DEHYDROASCORBATE 371.0227 C00425 1472 DEHYDROASCORBATE 371.0227 - 1473 DEHYDROASCORBATE 349.0407 169.7 C00425 1474 DEHYDROASCORBATE 349.0407 169.7 - 1475 DEHYDROASCORBATE 386.9966 C00425 1476 DEHYDROASCORBATE 386.9966 - 1477 3-AMINO-4-HYDROXYBENZOATE 192.0063 C12115 1478 3-AMINO-4-HYDROXYBENZOATE 154.0504 139.6 C12115 1479 3-AMINO-4-HYDROXYBENZOATE 176.0324 C12115 1480 3,4 DIHYDROXYMANDELATE 223.0009 C05580 1481 3,4 DIHYDROXYMANDELATE 185.045 C05580 1482 3,4 DIHYDROXYMANDELATE 207.0269 C05580 1483 ANTHRANILATE 138.0555 C00108 1484 ANTHRANILATE 120.0449 C00108 1485 ANTHRANILATE 160.0374 C00108 1486 ANTHRANILATE 176.0114 C00108 1487 DIHYDROBIOPTERIN 260.076 157.2 C02953 1488 DIHYDROBIOPTERIN 238.094 153.9 C02953 1489 DIHYDROBIOPTERIN 278.0655 C02953 1490 BUTANOATE 127.0161 C00246 1491 BUTANOATE 89.0603 C00246 1492 BUTANOATE 111.0422 C00246 1493 INDOLE-3-ACETATE 198.0531 143.5 C00954 1494 INDOLE-3-ACETATE 198.0531 143.5 C00954 1495 INDOLE-3-ACETATE 214.027 C00954 1496 INDOLE-3-ACETATE 214.027 C00954 1497 INDOLE-3-ACETATE 176.0712 135.9 C00954 1498 INDOLE-3-ACETATE 176.0712 135.9 C00954 1499 5-VALEROLACTONE 123.0422 C02240 1500 5-VALEROLACTONE 101.0603 C02240 1501 5-VALEROLACTONE 139.0161 C02240 1502 2,5-DIHYDROXYBENZOATE 192.9903167 C00628 1503 2,5-DIHYDROXYBENZOATE 137.0239 C00628 1504 2,5-DIHYDROXYBENZOATE 155.0344333 C00628 1505 2,5-DIHYDROXYBENZOATE 177.0163787 C00628 1506 4-QUINOLINECARBOXYLATE 174.0555036 133.4004552 C06414 1507 4-QUINOLINECARBOXYLATE 196.037449 C06414 1508 4-QUINOLINECARBOXYLATE 212.011387 C06414 1509 HYDROQUINONE 111.044604 C00530 1510 HYDROQUINONE 133.0265494 C00530 1511 HYDROQUINONE 149.0004874 C00530 1512 DETHIOBIOTIN 237.1215125 155.0016048 C01909 1513 DETHIOBIOTIN 215.1395671 144.0379264 C01909 1514 DETHIOBIOTIN 253.0954505 155.8090119 C01909 1515 3-METHYL-2-OXOVALERATE 169.0267022 C03465 1516 3-METHYL-2-OXOVALERATE 131.0708188 C03465 1517 3-METHYL-2-OXOVALERATE 153.0527642 C03465 1518 OXOGLUTARATE 147.0293479 C00026 1519 OXOGLUTARATE 169.0112933 C00026 1520 OXOGLUTARATE 184.9852313 C00026 1521 N-ACETYLSEROTONIN 241.0952977 153.5383108 C00978 1522 N-ACETYLSEROTONIN 219.1133523 149.5876149 C00978 1523 N-ACETYLSEROTONIN 257.0692357 C00978 1524 ALLYL ISOTHIOCYANATE 137.977979 C19317 1525 ALLYL ISOTHIOCYANATE 100.0220956 C19317 1526 ALLYL ISOTHIOCYANATE 122.004041 C19317 1527 ITACONATE 168.9903167 C00490 1528 ITACONATE 131.0344333 C00490 1529 ITACONATE 153.0163787 131.7202666 C00490 1530 AZELATE 211.094629 148.4425051 C08261 1531 AZELATE 227.068567 C08261 1532 AZELATE 189.1126836 C08261 1533 OXOADIPATE 161.0449996 C00322 1534 OXOADIPATE 183.026945 137.8533181 C00322 1535 OXOADIPATE 199.000883 C00322 1536 2-METHYLGLUTARATE 147.0657334 - 1537 2-METHYLGLUTARATE 169.0476788 137.3546925 - 1538 2-METHYLGLUTARATE 185.0216168 - 1539 PHENYLACETALDEHYDE 143.0472849 C00601 1540 PHENYLACETALDEHYDE 121.0653395 C00601 1541 PHENYLACETALDEHYDE 159.0212229 C00601 1542 2-METHYLBUTANAL 125.0368729 C02223 1543 2-METHYLBUTANAL 87.08098954 C02223 1544 2-METHYLBUTANAL 109.0629349 C02223 1545 PHENYL ACETATE 137.0602541 C00548 1546 PHENYL ACETATE 159.0421995 C00548 1547 PHENYL ACETATE 175.0161375 C00548 1548 DIACETYL 109.0265494 C00741 1549 DIACETYL 87.04460404 C00741 1550 DIACETYL 125.0004874 C00741 1551 PYRUVATE 126.979752 C00022 1552 PYRUVATE 89.02386859 C00022 1553 PYRUVATE 111.005814 C00022 1554 TRANS-CINNAMALDEHYDE 171.0212229 C00903 1555 TRANS-CINNAMALDEHYDE 133.0653395 121.5348591 C00903 1556 TRANS-CINNAMALDEHYDE 155.0472849 C00903 1557 2,6-DIHYDROXYPYRIDINE 134.021799 C03056 1558 2,6-DIHYDROXYPYRIDINE 112.0398536 119.5011161 C03056 1559 2,6-DIHYDROXYPYRIDINE 149.995737 C03056 1560 PHENETHYLAMINE 160.0528574 C05332 1561 PHENETHYLAMINE 122.096974 C05332 1562 PHENETHYLAMINE 144.0789194 C05332 1563 METHYL ACETOACETATE 117.0551687 - 1564 METHYL ACETOACETATE 139.0371141 - 1565 METHYL ACETOACETATE 155.0110521 - 1566 SUBERATE 175.0970335 C08278 1567 SUBERATE 213.0529169 C08278 1568 SUBERATE 197.0789789 144.1242995 C08278 1569 ADIPATE 185.0216168 C06104¬† 1570 ADIPATE 147.0657334 C06104¬† 1571 ADIPATE 169.0476788 136.0495033 C06104¬† 1572 GERANYL-PP 337.058196 C00341 1573 GERANYL-PP 315.0762506 C00341 1574 GERANYL-PP 353.032134 C00341 1575 N-ACETYLLEUCINE 212.0689014 C02710 1576 N-ACETYLLEUCINE 174.113018 C02710 1577 N-ACETYLLEUCINE 196.0949634 149.8814401 C02710 1578 2',4'-DIHYDROXYACETOPHENONE 153.0551687 127.2209046 C03663 1579 2',4'-DIHYDROXYACETOPHENONE 175.0371141 C03663 1580 2',4'-DIHYDROXYACETOPHENONE 191.0110521 C03663 1581 BENZYL ALCOHOL 109.0653395 C00556 1582 BENZYL ALCOHOL 131.0472849 C00556 1583 BENZYL ALCOHOL 147.0212229 C00556 1584 MONOMETHYLGLUTARATE 169.04768 - 1585 MONOMETHYLGLUTARATE 185.021618 - 1586 MONOMETHYLGLUTARATE 147.0657346 - 1587 INDOLE-3-METHYL ACETATE 190.0868032 138.6526539 - 1588 INDOLE-3-METHYL ACETATE 212.0687486 147.1935376 - 1589 INDOLE-3-METHYL ACETATE 228.0426866 - 1590 MEVALONATE 149.0813846 C00418 1591 MEVALONATE 171.06333 132.8839425 C00418 1592 MEVALONATE 187.037268 C00418 1593 3-METHOXY-4-HYDROXYMANDELATE 221.0425934 C05584 1594 3-METHOXY-4-HYDROXYMANDELATE 199.060648 C05584 1595 3-METHOXY-4-HYDROXYMANDELATE 237.0165314 C05584 1596 HOMOVANILLATE 221.0216168 C05582 1597 HOMOVANILLATE 183.0657334 C05582 1598 HOMOVANILLATE 205.0476788 146.2241767 C05582 1599 2-METHYLMALEATE 131.0344346 C02226 1600 2-METHYLMALEATE 153.01638 C02226 1601 2-METHYLMALEATE 168.990318 C02226 1602 1-PHENYLETHANOL 145.0629349 C07112 1603 1-PHENYLETHANOL 123.0809895 C07112 1604 1-PHENYLETHANOL 161.0368729 C07112 1605 SALSOLINOL 218.058337 C09642 1606 SALSOLINOL 180.1024536 142.7059307 C09642 1607 SALSOLINOL 202.084399 C09642 1608 SALICYLAMIDE 176.0113865 - 1609 SALICYLAMIDE 138.0555031 124.3874284 - 1610 SALICYLAMIDE 160.0374485 - 1611 3-HYDROXYBENZOATE 161.0214641 C00587 1612 3-HYDROXYBENZOATE 176.9954021 C00587 1613 3-HYDROXYBENZOATE 139.0395187 C00587 1614 3-HYDROXYBENZOATE 121.029 C00587 1615 KETOLEUCINE 169.0267022 C00233 1616 KETOLEUCINE 169.0267022 C00233 1617 KETOLEUCINE 131.0708188 C00233 1618 KETOLEUCINE 131.0708188 C00233 1619 KETOLEUCINE 153.0527642 C00233 1620 KETOLEUCINE 153.0527642 C00233 1621 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE 3,21-DIACETATE 405.204333 C05472 1622 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE 3,21-DIACETATE 367.2484496 C05472 1623 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE 3,21-DIACETATE 389.230395 C05472 1624 N,N-DIMETHYL-1,4-PHENYLENEDIAMINE 137.1078726 C04203 1625 N,N-DIMETHYL-1,4-PHENYLENEDIAMINE 175.063756 C04203 1626 N,N-DIMETHYL-1,4-PHENYLENEDIAMINE 119.0973 C04203 1627 N,N-DIMETHYL-1,4-PHENYLENEDIAMINE 159.089818 C04203 1628 HOMOGENTISATE 207.0059667 C00544 1629 HOMOGENTISATE 191.0320287 C00544 1630 HOMOGENTISATE 169.0500833 C00544 1631 INDOLEACETALDEHYDE 198.0321219 C00637 1632 INDOLEACETALDEHYDE 160.0762385 132.3446352 C00637 1633 INDOLEACETALDEHYDE 182.0581839 C00637 1634 4-HYDROXY-3-METHOXYPHENYLGLYCOL 185.0813846 C05594 1635 4-HYDROXY-3-METHOXYPHENYLGLYCOL 207.06333 C05594 1636 4-HYDROXY-3-METHOXYPHENYLGLYCOL 223.037268 C05594 1637 3-HYDROXYPHENYLACETATE 153.0551687 C05593 1638 3-HYDROXYPHENYLACETATE 175.0371141 C05593 1639 3-HYDROXYPHENYLACETATE 191.0110521 C05593 1640 4-METHYLCATECHOL 163.0161375 C06730 1641 4-METHYLCATECHOL 147.0421995 C06730 1642 4-METHYLCATECHOL 125.0602541 C06730 1643 PYRIDOXAL 206.0219512 C00250 1644 PYRIDOXAL 168.0660678 131.3530497 C00250 1645 PYRIDOXAL 190.0480132 142.8241058 C00250 1646 SALICYLATE 139.0395187 C00805 1647 SALICYLATE 161.0214641 C00805 1648 SALICYLATE 176.9954021 C00805 1649 SEBACATE 225.11028 152.7458269 C08277 1650 SEBACATE 203.1283346 C08277 1651 SEBACATE 241.084218 C08277 1652 3-METHYL-2-OXINDOLE 170.058184 - 1653 3-METHYL-2-OXINDOLE 186.032122 - 1654 3-METHYL-2-OXINDOLE 148.0762386 130.4250329 - 1655 3-METHYLADENINE 150.0779698 126.33609 C00913 1656 3-METHYLADENINE 172.0599152 C00913 1657 3-METHYLADENINE 188.0338532 C00913 1658 HYDROXYPHENYLLACTATE 221.0216168 C03672 1659 HYDROXYPHENYLLACTATE 205.0476788 144.2136655 C03672 1660 HYDROXYPHENYLLACTATE 183.0657334 C03672 1661 BIOTIN 245.0959877 149.7326659 C00120 1662 BIOTIN 267.0779331 159.9003336 C00120 1663 BIOTIN 283.0518711 160.1306059 C00120 1664 MERCAPTOPYRUVATE 120.9959393 C00957 1665 MERCAPTOPYRUVATE 142.9778847 C00957 1666 MERCAPTOPYRUVATE 158.9518227 C00957 1667 PYRUVIC ALDEHYDE 95.01089937 C00546 1668 PYRUVIC ALDEHYDE 73.02895397 C00546 1669 PYRUVIC ALDEHYDE 110.9848374 C00546 1670 PYRROLE-2-CARBOXYLATE 134.0217984 C05942 1671 PYRROLE-2-CARBOXYLATE 149.9957364 C05942 1672 PYRROLE-2-CARBOXYLATE 112.039853 C05942 1673 5-HYDROXYINDOLEACETATE 192.0660678 140.9418504 C05635 1674 5-HYDROXYINDOLEACETATE 214.0480132 148.3739686 C05635 1675 5-HYDROXYINDOLEACETATE 230.0219512 C05635 1676 PHENYLACETATE 159.0421995 C07086 1677 PHENYLACETATE 137.0602541 C07086 1678 PHENYLACETATE 175.0161375 C07086 1679 RESORCINOL MONOACETATE 191.011053 C12064 1680 RESORCINOL MONOACETATE 153.0551696 C12064 1681 RESORCINOL MONOACETATE 175.037115 C12064 1682 ACETOACETATE 103.0395187 C00164 1683 ACETOACETATE 125.0214641 C00164 1684 ACETOACETATE 140.9954021 C00164 1685 ACETYLPHOSPHATE 162.9772298 C00227 1686 ACETYLPHOSPHATE 140.9952844 C00227 1687 ACETYLPHOSPHATE 178.9511678 C00227 1688 ETHYL 3-INDOLEACETATE 242.058337 - 1689 ETHYL 3-INDOLEACETATE 204.1024536 145.1819747 - 1690 ETHYL 3-INDOLEACETATE 226.084399 153.5551941 - 1691 DEHYDROASCORBATE 197.0062079 C00425 1692 DEHYDROASCORBATE 197.0062079 - 1693 DEHYDROASCORBATE 212.9801459 C00425 1694 DEHYDROASCORBATE 212.9801459 - 1695 DEHYDROASCORBATE 175.0242625 C00425 1696 DEHYDROASCORBATE 175.0242625 - 1697 FRUCTOSE 203.0531581 141.5132267 C02336 1698 FRUCTOSE 181.0712127 C02336 1699 FRUCTOSE 219.0270961 C02336 1700 SORBOSE 203.0531581 143.2928237 C00247 1701 SORBOSE 219.0270961 C00247 1702 SORBOSE 181.0712127 C00247 1703 SORBOSE 203.0531581 139.3725332 C00247 1704 XYLITOL 153.0762981 C00379 1705 XYLITOL 175.0582435 135.4046305 C00379 1706 XYLITOL 191.0321815 C00379 1707 RIBITOL 153.0762981 C00474 1708 RIBITOL 175.0582435 136.1597592 C00474 1709 RIBITOL 191.0321815 C00474 1710 MYOINOSITOL 203.0531581 148.5542719 C00137 1711 MYOINOSITOL 181.0712127 C00137 1712 MYOINOSITOL 219.0270961 C00137 1713 MANNOSE 219.0270961 C00159 1714 MANNOSE 203.0531581 141.5132478 C00159 1715 MANNOSE 181.0712127 C00159 1716 ARABINOSE 173.0425934 C00259 1717 ARABINOSE 173.0425934 C00216 1718 ARABINOSE 151.060648 C00259 1719 ARABINOSE 151.060648 C00216 1720 ARABINOSE 189.0165314 C00259 1721 ARABINOSE 189.0165314 C00216 1722 XYLOSE 173.0425934 134.9400306 C00181 1723 XYLOSE 189.0165314 C00181 1724 XYLOSE 151.060648 C00181 1725 SUCROSE 381.0799195 175.3999405 C00089 1726 SUCROSE 343.1240361 C00089 1727 SUCROSE 365.1059815 173.8560621 C00089 1728 GALACTOSE 181.0712127 C00984 1729 GALACTOSE 219.0270961 C00984 1730 GALACTOSE 203.0531581 141.9258941 C00984 1731 ALPHA-D-GLUCOSE 181.0712127 C00267 1732 ALPHA-D-GLUCOSE 203.0531581 146.6199128 C00267 1733 ALPHA-D-GLUCOSE 219.0270961 C00267 1734 ALLOSE 203.0531581 146.181415 C01487 1735 ALLOSE 219.0270961 C01487 1736 ALLOSE 181.0712127 C01487 1737 ALLOSE 203.0531581 143.1896168 C01487 1738 MANNITOL 221.0427462 C00392 1739 MANNITOL 183.0868628 C00392 1740 MANNITOL 205.0688082 141.0938419 C00392 1741 MELIBIOSE 343.1240361 180.438084 C05402 1742 MELIBIOSE 381.0799195 180.0342895 C05402 1743 MELIBIOSE 365.1059815 177.2680326 C05402 1744 SORBITOL 183.0868628 C00749 1745 SORBITOL 205.0688082 142.9496873 C00749 1746 SORBITOL 221.0427462 C00749 1747 MALTOSE 381.0799195 181.7126736 C00208 1748 MALTOSE 343.1240361 C00208 1749 MALTOSE 365.1059815 178.9238509 C00208 1750 TAGATOSE 181.0712127 C00795 1751 TAGATOSE 219.0270961 C00795 1752 TAGATOSE 203.0531581 C00795 1753 TAGATOSE 203.0531581 C00795 1754 L-GULONOLACTONE 179.0555627 C01040 1755 L-GULONOLACTONE 201.0375081 140.7991932 C01040 1756 L-GULONOLACTONE 217.0114461 C01040 1757 ARABINOSE 173.0425934 134.6012453 C00259 1758 ARABINOSE 173.0425934 134.6012453 C00216 1759 ARABINOSE 151.060648 C00259 1760 ARABINOSE 151.060648 C00216 1761 ARABINOSE 189.0165314 C00259 1762 ARABINOSE 189.0165314 C00216 1763 CELLOBIOSE 365.1059815 178.723165 C06422 1764 CELLOBIOSE 343.1240361 C06422 1765 CELLOBIOSE 381.0799195 180.8859994 C06422 1766 PSICOSE 219.027098 C06468 1767 PSICOSE 181.0712146 C06468 1768 PSICOSE 203.05316 137.5928746 C06468 1769 ARABITOL 153.0762981 C00532 1770 ARABITOL 175.0582435 135.7691988 C00532 1771 ARABITOL 191.0321815 C00532 1772 LYXOSE 151.0606486 C00476 1773 LYXOSE 173.042594 136.7903719 C00476 1774 LYXOSE 189.016532 C00476 1775 RIBOSE 173.0425934 135.1745804 C00121 1776 RIBOSE 189.0165314 C00121 1777 RIBOSE 151.060648 C00121 1778 PALATINOSE 343.1240396 C01742 1779 PALATINOSE 365.105985 176.0136452 C01742 1780 PALATINOSE 381.079923 177.6294526 C01742 1781 VITAMIN D2 397.3470406 C05441 1782 VITAMIN D2 419.328986 C05441 1783 VITAMIN D2 435.302924 C05441 1784 SQUALENE 433.3810216 C00751 1785 SQUALENE 411.3990762 C00751 1786 SQUALENE 449.3549596 C00751 1787 4-COUMARATE 203.0110521 C00811 1788 4-COUMARATE 147.0446 C00811 1789 4-COUMARATE 165.0551687 C00811 1790 4-COUMARATE 187.0371141 C00811 1791 NONANOATE 159.1385044 C01601 1792 NONANOATE 181.1204498 C01601 1793 NONANOATE 197.0943878 C01601 1794 ESTRADIOL-17ALPHA 273.1854546 C02537 1795 ESTRADIOL-17ALPHA 295.1674 C02537 1796 ESTRADIOL-17ALPHA 311.141338 C02537 1797 CAPRYLATE 167.1047998 C06423 1798 CAPRYLATE 145.1228544 C06423 1799 CAPRYLATE 183.0787378 C06423 1800 URSODEOXYCHOLATE 431.256368 C07880 1801 URSODEOXYCHOLATE 415.28243 198.7026572 C07880 1802 URSODEOXYCHOLATE 393.3004846 C07880 1803 PETROSELINATE 304.2378253 C08363 1804 PETROSELINATE 282.2558799 C08363 1805 PETROSELINATE 320.2117633 C08363 1806 DIPALMITOYLGLYCEROL 607.470383 254.9491808 C00165 1807 DIPALMITOYLGLYCEROL 569.5144996 C00165 1808 DIPALMITOYLGLYCEROL 591.496445 252.1299913 C00165 1809 DEOXYCHOLATE 393.3004844 C04483 1810 DEOXYCHOLATE 393.3004844 C04483 1811 DEOXYCHOLATE 415.2824298 C04483 1812 DEOXYCHOLATE 415.2824298 C04483 1813 DEOXYCHOLATE 431.2563678 C04483 1814 DEOXYCHOLATE 431.2563678 C04483 1815 LITHOCHOLATE 377.3055697 C03990 1816 LITHOCHOLATE 399.2875151 C03990 1817 LITHOCHOLATE 415.2614531 C03990 1818 PROTOPORPHYRIN 585.2477756 C02191 1819 PROTOPORPHYRIN 601.2217136 C02191 1820 PROTOPORPHYRIN 563.2658302 241.3367814 C02191 1821 HEPTANOATE 131.1072043 C17714¬† 1822 HEPTANOATE 153.0891497 C17714¬† 1823 HEPTANOATE 169.0630877 C17714¬† 1824 RETINOL 287.2374902 C00473 1825 RETINOL 309.2194356 C00473 1826 RETINOL 325.1933736 C00473 1827 MENAQUINONE 581.4358556 C00828 1828 MENAQUINONE 603.417801 C00828 1829 MENAQUINONE 619.391739 C00828 1830 ELAIDATE 321.2195883 C01712 1831 ELAIDATE 283.2637049 C01712 1832 ELAIDATE 305.2456503 C01712 1833 CHENODEOXYCHOLATE 273.1854546 C02528 1834 CHENODEOXYCHOLATE 295.1674 C02528 1835 CHENODEOXYCHOLATE 311.141338 C02528 1836 MYRISTATE 251.1987001 C06424 1837 MYRISTATE 229.2167547 C06424 1838 MYRISTATE 267.1726381 C06424 1839 CHOLESTERYL OLEATE 651.6080063 C14641 1840 CHOLESTERYL OLEATE 673.5899517 C14641 1841 CHOLESTERYL OLEATE 689.5638897 C14641 1842 ROSMARINATE 399.0482255 C01850 1843 ROSMARINATE 361.0923421 C01850 1844 ROSMARINATE 383.0742875 C01850 1845 GLYCERYL TRIPALMITATE 829.7261109 - 1846 GLYCERYL TRIPALMITATE 845.7000489 - 1847 GLYCERYL TRIPALMITATE 807.7441655 - 1848 CORTEXOLONE 347.222234 187.6825586 C05488 1849 CORTEXOLONE 369.2041794 210.9763201 C05488 1850 CORTEXOLONE 385.1781174 C05488 1851 LITHOCHOLYLTAURINE 484.3096688 C02592 1852 LITHOCHOLYLTAURINE 506.2916142 213.05286 C02592 1853 LITHOCHOLYLTAURINE 522.2655522 C02592 1854 PALMITOLEATE 255.2324048 C08362 1855 PALMITOLEATE 277.2143502 C08362 1856 PALMITOLEATE 293.1882882 C08362 1857 PALMITATE 295.2039383 C00249 1858 PALMITATE 257.2480549 C00249 1859 PALMITATE 279.2300003 173.1911366 C00249 1860 LIOTHYRONINE 651.7978627 209.1100075 C02465 1861 LIOTHYRONINE 673.7798081 194.3293916 C02465 1862 LIOTHYRONINE 689.7537461 C02465 1863 SPHINGANINE 324.2878495 191.0515526 C00836 1864 SPHINGANINE 302.3059041 189.0491207 C00836 1865 SPHINGANINE 340.2617875 C00836 1866 LANOSTEROL 449.3759362 C01724 1867 LANOSTEROL 465.3498742 C01724 1868 LANOSTEROL 427.3939908 C01724 1869 LAURATE 239.141338 C02679 1870 LAURATE 201.1854546 C02679 1871 LAURATE 223.1674 C02679 1872 ARACHIDATE 335.2926005 C06425 1873 ARACHIDATE 313.3106551 C06425 1874 ARACHIDATE 351.2665385 C06425 1875 ERUCATE 377.2821886 C08316 1876 ERUCATE 339.3263052 C08316 1877 ERUCATE 361.3082506 C08316 1878 DEOXYCHOLATE 410.327 C04483 1879 DEOXYCHOLATE 410.327 C04483 1880 DEOXYCHOLATE 431.2563678 C04483 1881 DEOXYCHOLATE 431.2563678 C04483 1882 DEOXYCHOLATE 393.3004844 C04483 1883 DEOXYCHOLATE 393.3004844 C04483 1884 DEOXYCHOLATE 415.2824298 C04483 1885 DEOXYCHOLATE 415.2824298 C04483 1886 KETOLEUCINE 131.0708196 C00233 1887 KETOLEUCINE 131.0708196 C00233 1888 KETOLEUCINE 153.052765 C00233 1889 KETOLEUCINE 153.052765 C00233 1890 KETOLEUCINE 169.026703 C00233 1891 KETOLEUCINE 169.026703 C00233 1892 EICOSAPENTAENOATE 303.2324046 C06428 1893 EICOSAPENTAENOATE 325.21435 C06428 1894 EICOSAPENTAENOATE 341.188288 C06428 1895 HEPTADECANOATE 271.2637049 - 1896 HEPTADECANOATE 293.2456503 - 1897 HEPTADECANOATE 309.2195883 - 1898 GLYCERYL TRIMYRISTATE 723.6502651 - 1899 GLYCERYL TRIMYRISTATE 745.6322105 291.3597634 - 1900 GLYCERYL TRIMYRISTATE 761.6061485 - 1901 LINOLEATE 281.2480549 C01595 1902 LINOLEATE 303.2300003 177.0152674 C01595 1903 LINOLEATE 319.2039383 C01595 1904 SPHINGOMYELIN 732.6145245 C00550 1905 SPHINGOMYELIN 754.5964699 C00550 1906 SPHINGOMYELIN 770.5704079 C00550 1907 7-DEHYDROCHOLESTEROL 385.3470406 C01164 1908 7-DEHYDROCHOLESTEROL 407.328986 C01164 1909 7-DEHYDROCHOLESTEROL 423.302924 C01164 1910 THYROXINE 777.6945061 216.8322927 C01829 1911 THYROXINE 799.6764515 C01829 1912 THYROXINE 815.6503895 C01829 1913 BIS(2-ETHYLHEXYL)PHTHALATE 391.2848346 212.1838796 C03690 1914 BIS(2-ETHYLHEXYL)PHTHALATE 413.26678 215.9059298 C03690 1915 BIS(2-ETHYLHEXYL)PHTHALATE 429.240718 C03690 1916 GAMMA-LINOLENATE 279.2324048 C06426 1917 GAMMA-LINOLENATE 301.2143502 C06426 1918 GAMMA-LINOLENATE 317.1882882 C06426 1919 OMEGA-HYDROXYDODECANOATE 217.1803692 C08317 1920 OMEGA-HYDROXYDODECANOATE 239.1623146 160.2674867 C08317 1921 OMEGA-HYDROXYDODECANOATE 255.1362526 C08317 1922 METHYL JASMONATE 225.1490691 C11512 1923 METHYL JASMONATE 247.1310145 C11512 1924 METHYL JASMONATE 263.1049525 C11512 1925 DIPALMITOYL-PHOSPHATIDYLCHOLINE 734.5699816 C00157 1926 DIPALMITOYL-PHOSPHATIDYLCHOLINE 756.551927 C00157 1927 DIPALMITOYL-PHOSPHATIDYLCHOLINE 772.525865 C00157 1928 HEXADECANOL 243.2687903 C00823 1929 HEXADECANOL 265.2507357 C00823 1930 HEXADECANOL 281.2246737 C00823 1931 5,6 DIMETHYLBENZIMIDAZOLE 147.0922229 130.2863156 C03114 1932 5,6 DIMETHYLBENZIMIDAZOLE 169.0741683 C03114 1933 5,6 DIMETHYLBENZIMIDAZOLE 185.0481063 C03114 1934 RETINOATE 301.2167547 C00777 1935 RETINOATE 323.1987001 181.9486888 C00777 1936 RETINOATE 339.1726381 C00777 1937 INDOLE 118.0656738 C00463 1938 INDOLE 140.0476192 C00463 1939 INDOLE 156.0215572 C00463 1940 CHOLATE 409.295399 C00695 1941 CHOLATE 431.2773444 197.521088 C00695 1942 CHOLATE 447.2512824 C00695 1943 PHYLLOQUINONE 451.3576053 C02059 1944 PHYLLOQUINONE 473.3395507 C02059 1945 PHYLLOQUINONE 489.3134887 C02059 1946 PHYLLOQUINONE 511.3787 C02059 1947 CHOLESTERYL PALMITATE 625.5923563 C11251 1948 CHOLESTERYL PALMITATE 647.5743017 286.2768552 C11251 1949 CHOLESTERYL PALMITATE 663.5482397 C11251 1950 QUINOLINE 130.0656738 C06413 1951 QUINOLINE 152.0476192 C06413 1952 QUINOLINE 168.0215572 C06413 1953 DOCOSAHEXAENOATE 329.2480549 C06429 1954 DOCOSAHEXAENOATE 351.2300003 C06429 1955 DOCOSAHEXAENOATE 367.2039383 C06429 1956 DOCOSAHEXAENOATE 333.2194 C06429 1957 DIETHYL 2-METHYL-3-OXOSUCCINATE 203.0919482 C04067 1958 DIETHYL 2-METHYL-3-OXOSUCCINATE 225.0738936 C04067 1959 DIETHYL 2-METHYL-3-OXOSUCCINATE 241.0478316 C04067 1960 RETINYL PALMITATE 525.4671558 C02588 1961 RETINYL PALMITATE 547.4491012 C02588 1962 RETINYL PALMITATE 563.4230392 C02588 1963 2-UNDECANONE 171.1748896 C01875 1964 2-UNDECANONE 193.156835 C01875 1965 2-UNDECANONE 209.130773 C01875 1966 1-HYDROXY-2-NAPHTHOATE 189.0551696 C03203 1967 1-HYDROXY-2-NAPHTHOATE 211.037115 C03203 1968 1-HYDROXY-2-NAPHTHOATE 227.011053 C03203 1969 DIPALMITOYL-PHOSPHOETHANOLAMINE 692.5230295 C00350 1970 DIPALMITOYL-PHOSPHOETHANOLAMINE 714.5049749 C00350 1971 DIPALMITOYL-PHOSPHOETHANOLAMINE 730.4789129 C00350 1972 PHENYLPYRUVATE 165.0551687 C00166 1973 PHENYLPYRUVATE 187.0371141 C00166 1974 PHENYLPYRUVATE 203.0110521 C00166 1975 TRANS-CINNAMATE 149.0602541 C00423 1976 TRANS-CINNAMATE 171.0421995 C00423 1977 TRANS-CINNAMATE 187.0161375 C00423 1978 OLEATE 283.2637049 C00712 1979 OLEATE 305.2456503 C00712 1980 OLEATE 321.2195883 C00712 1981 STEARATE 285.279355 C01530 1982 STEARATE 307.2613004 C01530 1983 STEARATE 323.2352384 C01530 1984 BETA-CAROTENE 537.4460264 C02094 1985 BETA-CAROTENE 559.4279718 C02094 1986 BETA-CAROTENE 575.4019098 C02094 1987 25-HYDROXYCHOLESTEROL 403.3576053 C15519 1988 25-HYDROXYCHOLESTEROL 425.3395507 C15519 1989 25-HYDROXYCHOLESTEROL 441.3134887 C15519 1990 NERVONATE 367.3576053 C08323 1991 NERVONATE 389.3395507 204.3800325 C08323 1992 NERVONATE 405.3134887 C08323 1993 DESMOSTEROL 385.3470406 C01802 1994 DESMOSTEROL 407.328986 C01802 1995 DESMOSTEROL 423.302924 C01802 1996 DEOXYCORTICOSTERONE ACETATE 373.2378846 196.9002771 C14554 1997 DEOXYCORTICOSTERONE ACETATE 395.21983 C14554 1998 DEOXYCORTICOSTERONE ACETATE 411.193768 C14554 1999 OLEOYL-GLYCEROL 357.3004846 202.7832486 - 2000 OLEOYL-GLYCEROL 379.28243 197.2670018 - 2001 OLEOYL-GLYCEROL 395.256368 - 2002 ALPHA-TOCOPHEROL 431.3889054 C02477 2003 ALPHA-TOCOPHEROL 453.3708508 C02477 2004 ALPHA-TOCOPHEROL 469.3447888 C02477 2005 GLYCEROL-MYRISTATE 303.2535346 - 2006 GLYCEROL-MYRISTATE 325.23548 183.6426847 - 2007 GLYCEROL-MYRISTATE 341.209418 - 2008 TRICOSANOATE 355.3576053 - 2009 TRICOSANOATE 377.3395507 204.798766 - 2010 TRICOSANOATE 393.3134887 - 2011 COENZYME Q10 863.6917346 C11378 2012 COENZYME Q10 885.67368 306.5687779 C11378 2013 COENZYME Q10 901.647618 C11378 2014 CORTISONE 361.2014986 188.3151498 C00762 2015 CORTISONE 383.183444 213.1603854 C00762 2016 CORTISONE 399.157382 C00762 2017 DECANOATE 173.1541545 C01571 2018 DECANOATE 195.1360999 C01571 2019 DECANOATE 211.1100379 C01571 2020 CORTICOSTERONE 347.222234 186.8777973 C02140 2021 CORTICOSTERONE 369.2041794 211.8292779 C02140 2022 CORTICOSTERONE 385.1781174 208.4127472 C02140