Sample Name Metabolite Name Units (Exact mass, m/z) Single Field CCS (Å2) KEGG_ID 2023 BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE 662.1013 223.8 C00003 2024 BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE 680.1119 C00003 2025 BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE 684.0832 230.8 C00003 2026 GLUTAMINE 145.0613 127.3 C00064 2027 GLUTAMINE 163.0719 C00064 2028 GLUTAMINE 167.0433 C00064 2029 HYPOTAURINE 108.0119 132.6 C00519 2030 HYPOTAURINE 126.0225 C00519 2031 HYPOTAURINE 129.9939 C00519 2032 INOSINE MONOPHOSPHATE 347.0393 171.2 C00130 2033 INOSINE MONOPHOSPHATE 365.0498 C00130 2034 INOSINE MONOPHOSPHATE 369.0212 166.5 C00130 2035 CITRATE 191.0192 127.1 C00158 2036 CITRATE 209.0297 C00158 2037 CITRATE 213.0011 C00158 2038 THREONINE 118.0504 120.2 C00188 2039 THREONINE 136.061 C00188 2040 THREONINE 140.0324 C00188 2041 PURINE 119.0358 114.3 C15587 2042 PURINE 137.0463 C15587 2043 PURINE 141.0177 C15587 2044 N-ACETYLNEURAMINATE 308.0982 158.5 C00270 2045 N-ACETYLNEURAMINATE 308.0982 163.8 C00270 2046 N-ACETYLNEURAMINATE 326.1087 C00270 2047 N-ACETYLNEURAMINATE 330.0801 171.4 C00270 2048 KYNURENINE 207.077 C00328 2049 KYNURENINE 207.077 C00328 2050 KYNURENINE 225.0875 C00328 2051 KYNURENINE 225.0875 C00328 2052 KYNURENINE 229.0589 C00328 2053 KYNURENINE 229.0589 C00328 2054 PYRIMIDINE 97.0402 C00396 2055 PYRIMIDINE 79.0296 C00396 2056 PYRIMIDINE 101.0116 C00396 2057 ASPARTATE 154.0116 C16433 2058 ASPARTATE 154.0116 C00402 2059 ASPARTATE 132.0297 118.6 C16433 2060 ASPARTATE 132.0297 118.6 C00402 2061 ASPARTATE 150.0402 C16433 2062 ASPARTATE 150.0402 C00402 2063 URATE 189.0025 C00366 2064 URATE 167.0205 125.5 C00366 2065 URATE 185.0311 C00366 2066 CYTIDINE 260.0883 C00475 2067 CYTIDINE 264.0596 C00475 2068 CYTIDINE 242.0777 149.8 C00475 2069 SERINE 126.0167 C00065 2070 SERINE 104.0348 C00065 2071 SERINE 122.0453 C00065 2072 CYSTEINE 120.0119 C00097 2073 CYSTEINE 138.0225 C00097 2074 CYSTEINE 141.9939 C00097 2075 CITRULLINE 196.0698 C00327 2076 CITRULLINE 174.0879 135.4 C00327 2077 CITRULLINE 192.0984 C00327 2078 TAURINE 124.0068 118.4 C00245 2079 TAURINE 145.9888 C00245 2080 TAURINE 142.0174 C00245 2081 GLUCONOLACTONE 199.0219 C00198 2082 GLUCONOLACTONE 199.0219 C00198 2083 GLUCONOLACTONE 195.0505 132.6 C00198 2084 GLUCONOLACTONE 195.0505 132.6 C00198 2085 GLUCONOLACTONE 177.0399 C00198 2086 GLUCONOLACTONE 177.0399 C00198 2087 NICOTINATE 144.0061 C00253 2088 NICOTINATE 122.0242 121 C00253 2089 NICOTINATE 140.0348 C00253 2090 INOSINE 267.0729 158.2 C00294 2091 INOSINE 289.0549 C00294 2092 INOSINE 285.0835 C00294 2093 GAMMA-AMINOBUTYRATE 120.0661 C00334 2094 GAMMA-AMINOBUTYRATE 102.0555 C00334 2095 GAMMA-AMINOBUTYRATE 124.0374 C00334 2096 CYTOSINE 132.0174 C00380 2097 CYTOSINE 110.0354 C00380 2098 CYTOSINE 128.046 C00380 2099 ISOLEUCINE 130.0868 129.3 C00407 2100 ISOLEUCINE 148.0974 C00407 2101 ISOLEUCINE 152.0687 C00407 2102 PYRAZOLE 89.0116 C00481 2103 PYRAZOLE 85.0402 C00481 2104 PYRAZOLE 67.0296 C00481 2105 GLUTAMATE 168.0273 131.8 C00025 2106 GLUTAMATE 146.0453 123.8 C00025 2107 GLUTAMATE 164.0559 C00025 2108 ASCORBATE 197.0062 C00072 2109 ASCORBATE 193.0348 C00072 2110 ASCORBATE 175.0243 127.7 C00072 2111 P-HYDROXYPHENYLACETATE 151.0395 128.6 C00642 2112 P-HYDROXYPHENYLACETATE 169.0501 C00642 2113 P-HYDROXYPHENYLACETATE 173.0215 C00642 2114 N-ACETYLGLUCOSAMINE 238.0927 C00140 2115 N-ACETYLGLUCOSAMINE 242.0641 C00140 2116 N-ACETYLGLUCOSAMINE 220.0821 152.5 C00140 2117 GLYCOLATE 96.9902 C00160 2118 GLYCOLATE 93.0188 C00160 2119 GLYCOLATE 75.0082 C00160 2120 SARCOSINE 110.0218 C00213 2121 SARCOSINE 88.0399 C00213 2122 SARCOSINE 106.0504 C00213 2123 GLUCONATE 213.061 C00257 2124 GLUCONATE 213.061 C00257 2125 GLUCONATE 217.0324 C00257 2126 GLUCONATE 217.0324 C00257 2127 GLUCONATE 195.0505 132.6 C00257 2128 GLUCONATE 195.0505 132.6 C00257 2129 QUINATE 213.0375 C06746 2130 QUINATE 209.0661 C06746 2131 QUINATE 191.0556 134.5 C06746 2132 DIHYDROOROTATE 157.0249 125.2 C00337 2133 DIHYDROOROTATE 175.0355 C00337 2134 DIHYDROOROTATE 179.0069 C00337 2135 MALONATE 121.0137 C00383 2136 MALONATE 103.0031 C00383 2137 MALONATE 124.9851 C00383 2138 PIPECOLATE 128.0712 128.9 C00408 2139 PIPECOLATE 128.0712 128.9 C00408 2140 PIPECOLATE 146.0817 C00408 2141 PIPECOLATE 146.0817 C00408 2142 PIPECOLATE 150.0531 C00408 2143 PIPECOLATE 150.0531 C00408 2144 FORMAMIDE 44.0136 C00488 2145 FORMAMIDE 62.0242 C00488 2146 FORMAMIDE 65.9956 C00488 2147 GLYCINE 74.0242 C00037 2148 GLYCINE 92.0348 C00037 2149 GLYCINE 96.0061 C00037 2150 METHIONINE 166.0538 C00073 2151 METHIONINE 148.0432 132 C00073 2152 METHIONINE 170.0252 C00073 2153 TETRAHYDROFOLATE 462.1737 C00101 2154 TETRAHYDROFOLATE 466.1451 C00101 2155 TETRAHYDROFOLATE 444.1632 C00101 2156 ADENINE 152.0572 C00147 2157 ADENINE 152.0572 C00147 2158 ADENINE 134.0467 119.6 C00147 2159 ADENINE 134.0467 119.6 C00147 2160 ADENINE 156.0286 C00147 2161 ADENINE 156.0286 C00147 2162 METHYLTHIOADENOSINE 318.0637 C00170 2163 METHYLTHIOADENOSINE 296.0817 166.9 C00170 2164 METHYLTHIOADENOSINE 314.0923 C00170 2165 THYMIDINE 263.0644 C00214 2166 THYMIDINE 241.0824 154.1 C00214 2167 THYMIDINE 259.093 C00214 2168 GLYCERATE 123.0293 C00258 2169 GLYCERATE 123.0293 C00258 2170 GLYCERATE 105.0188 112.6 C00258 2171 GLYCERATE 105.0188 112.6 C00258 2172 GLYCERATE 127.0007 C00258 2173 GLYCERATE 127.0007 C00258 2174 OROTATE 173.0198 C00295 2175 OROTATE 173.0198 C00295 2176 OROTATE 176.9912 C00295 2177 OROTATE 176.9912 C00295 2178 OROTATE 155.0093 121.5 C00295 2179 OROTATE 155.0093 121.5 C00295 2180 ETHANOLAMINE PHOSPHATE 140.0113 123 C00346 2181 ETHANOLAMINE PHOSPHATE 161.9932 C00346 2182 ETHANOLAMINE PHOSPHATE 158.0218 C00346 2183 XANTHINE 151.0256 120.6 C00385 2184 XANTHINE 169.0362 C00385 2185 XANTHINE 173.0075 C00385 2186 DIHYDROFOLATE 460.1581 C00415 2187 DIHYDROFOLATE 462.1138 201.3 C00415 2188 DIHYDROFOLATE 440.1319 192 C00415 2189 CYSTINE 239.016 143 C01420 2190 CYSTINE 257.0266 C01420 2191 CYSTINE 260.998 147.3 C01420 2192 L-ALANINE 110.0218 C00041 2193 L-ALANINE 106.0504 C00041 2194 L-ALANINE 88.0399 C00041 2195 TRYPTOPHAN 203.0821 142.3 C00078 2196 TRYPTOPHAN 203.0821 142.3 C00525 2197 TRYPTOPHAN 225.064 C00078 2198 TRYPTOPHAN 225.064 C00525 2199 TRYPTOPHAN 221.0926 C00078 2200 TRYPTOPHAN 221.0926 C00525 2201 URIDINE MONOPHOSPHATE 341.0386 C00105 2202 URIDINE MONOPHOSPHATE 345.01 163.6 C00105 2203 URIDINE MONOPHOSPHATE 323.028 161.2 C00105 2204 PROLINE 132.0661 C16435 2205 PROLINE 114.0555 124.5 C16435 2206 PROLINE 136.0374 C16435 2207 THYMINE 143.0457 C00178 2208 THYMINE 147.017 C00178 2209 THYMINE 125.0351 119 C00178 2210 SUCCINATE SEMIALDEHYDE 101.0239 C00232 2211 SUCCINATE SEMIALDEHYDE 123.0058 C00232 2212 SUCCINATE SEMIALDEHYDE 119.0344 C00232 2213 LACTATE 107.0344 C01432 2214 LACTATE 111.0058 C01432 2215 LACTATE 89.0239 C01432 2216 URIDINE 243.0617 150.7 C00299 2217 URIDINE 261.0723 C00299 2218 URIDINE 265.0437 C00299 2219 FRUCTOSE BISPHOSPHATE 356.9988 C00354 2220 FRUCTOSE BISPHOSPHATE 338.9882 C00354 2221 FRUCTOSE BISPHOSPHATE 360.9702 196.6 C00354 2222 CARNOSINE 225.0988 152.1 C00386 2223 CARNOSINE 247.0807 C00386 2224 CARNOSINE 243.1093 C00386 2225 NICOTINAMIDE 139.0508 C00153 2226 NICOTINAMIDE 121.0402 C00153 2227 NICOTINAMIDE 143.0221 C00153 2228 SHIKIMATE 191.0556 C00493 2229 SHIKIMATE 195.0269 C00493 2230 SHIKIMATE 173.045 136.3 C00493 2231 SUCCINATE 135.0293 C00042 2232 SUCCINATE 139.0007 C00042 2233 SUCCINATE 117.0188 115.9 C00042 2234 PHENYLALANINE 182.0817 C02057 2235 PHENYLALANINE 164.0712 139.4 C02057 2236 PHENYLALANINE 186.0531 C02057 2237 URACIL 111.0195 112.9 C00106 2238 URACIL 129.03 C00106 2239 URACIL 133.0014 C00106 2240 MALATE 151.0243 C00149 2241 MALATE 151.0243 C00497 2242 MALATE 133.0137 115.9 C00149 2243 MALATE 133.0137 115.9 C00497 2244 MALATE 154.9956 C00149 2245 MALATE 154.9956 C00497 2246 ASPARTATE 132.0297 118.7 C16433 2247 ASPARTATE 132.0297 118.7 C00402 2248 ASPARTATE 154.0116 C16433 2249 ASPARTATE 154.0116 C00402 2250 ASPARTATE 150.0402 C16433 2251 ASPARTATE 150.0402 C00402 2252 DEOXYCYTIDINE MONOPHOSPHATE 328.0311 C00239 2253 DEOXYCYTIDINE MONOPHOSPHATE 324.0597 C00239 2254 DEOXYCYTIDINE MONOPHOSPHATE 306.0491 162.4 C00239 2255 HYPOXANTHINE 157.0126 134.4 C00262 2256 HYPOXANTHINE 153.0413 C00262 2257 HYPOXANTHINE 135.0307 116.9 C00262 2258 CREATINE 148.0722 C00300 2259 CREATINE 152.0436 C00300 2260 CREATINE 130.0617 C00300 2261 L-DOPA 196.061 140.6 C00355 2262 L-DOPA 218.0429 141.2 C00355 2263 L-DOPA 214.0715 C00355 2264 GUANOSINE 304.0658 C00387 2265 GUANOSINE 300.0944 C00387 2266 GUANOSINE 282.0838 162.1 C00387 2267 DIHYDROURACIL 131.0457 C00429 2268 DIHYDROURACIL 113.0351 C00429 2269 DIHYDROURACIL 135.017 C00429 2270 MALATE 154.9956 C00149 2271 MALATE 154.9956 C00497 2272 MALATE 151.0243 C00149 2273 MALATE 151.0243 C00497 2274 MALATE 133.0137 115.9 C00149 2275 MALATE 133.0137 115.9 C00497 2276 LYSINE 167.0796 C00047 2277 LYSINE 167.0796 C00047 2278 LYSINE 163.1083 C00047 2279 LYSINE 163.1083 C00047 2280 LYSINE 145.0977 133.5 C00047 2281 LYSINE 145.0977 133.5 C00047 2282 TYROSINE 198.0766 C01536 2283 TYROSINE 180.0661 143.8 C01536 2284 TYROSINE 202.048 C01536 2285 GLYCEROL 113.0215 C00116 2286 GLYCEROL 91.0395 C00116 2287 GLYCEROL 109.0501 C00116 2288 ASPARAGINE 149.0562 C00152 2289 ASPARAGINE 153.0276 C00152 2290 ASPARAGINE 131.0457 121.9 C00152 2291 VALINE 134.0817 C16436 2292 VALINE 116.0712 124.3 C16436 2293 VALINE 138.0531 C16436 2294 GUANINE 150.0416 C00242 2295 GUANINE 172.0235 C00242 2296 GUANINE 168.0521 C00242 2297 HOMOSERINE 140.0324 C00263 2298 HOMOSERINE 118.0504 120.2 C00263 2299 HOMOSERINE 136.061 C00263 2300 PYRIDOXINE 190.048 C00314 2301 PYRIDOXINE 186.0766 C00314 2302 PYRIDOXINE 168.0661 132.4 C00314 2303 DEOXYADENOSINE MONOPHOSPHATE 352.0423 169.8 C00360 2304 DEOXYADENOSINE MONOPHOSPHATE 330.0603 164.9 C00360 2305 DEOXYADENOSINE MONOPHOSPHATE 348.0709 C00360 2306 TARTRATE 167.0192 C02107 2307 TARTRATE 167.0192 C00898 2308 TARTRATE 149.0086 117.8 C02107 2309 TARTRATE 149.0086 117.8 C00898 2310 TARTRATE 170.9906 C02107 2311 TARTRATE 170.9906 C00898 2312 NICOTINAMIDE MONONUCLEOTIDE 355.0307 C00455 2313 NICOTINAMIDE MONONUCLEOTIDE 333.0488 C00455 2314 NICOTINAMIDE MONONUCLEOTIDE 351.0593 C00455 2315 FOLATE 462.1138 201.3 C00504 2316 FOLATE 458.1424 C00504 2317 FOLATE 440.1319 192 C00504 2318 ISOCITRATE 213.0011 136.4 C00311 2319 ISOCITRATE 209.0297 C00311 2320 ISOCITRATE 191.0192 127 C00311 2321 THIOUREA 93.0123 C14415 2322 THIOUREA 96.9836 C14415 2323 THIOUREA 75.0017 C14415 2324 DIETHANOLAMINE 104.0712 C06772 2325 DIETHANOLAMINE 122.0817 C06772 2326 DIETHANOLAMINE 126.0531 C06772 2327 AMINOISOBUTANOATE 102.0555 C05145 2328 AMINOISOBUTANOATE 120.0661 C05145 2329 AMINOISOBUTANOATE 124.0374 C05145 2330 CYS-GLY 199.0153 C01419 2331 CYS-GLY 195.044 C01419 2332 CYS-GLY 177.0334 C01419 2333 2-PHOSPHOGLYCERATE 202.9957 - 2334 2-PHOSPHOGLYCERATE 206.9671 133.1 - 2335 2-PHOSPHOGLYCERATE 184.9851 124.2 - 2336 GUANIDINOACETATE 116.046 C00581 2337 GUANIDINOACETATE 138.0279 C00581 2338 GUANIDINOACETATE 134.0566 C00581 2339 CREATININE 134.033 C00791 2340 CREATININE 130.0617 C00791 2341 CREATININE 112.0511 118.5 C00791 2342 N-ACETYLTRYPTOPHAN 263.1032 - 2343 N-ACETYLTRYPTOPHAN 267.0746 - 2344 N-ACETYLTRYPTOPHAN 245.0926 158.3 - 2345 TRANS-ACONITATE 191.0192 C02341 2346 TRANS-ACONITATE 173.0086 C02341 2347 TRANS-ACONITATE 194.9906 C02341 2348 N-ACETYLMANNOSAMINE 220.0821 C00645 2349 N-ACETYLMANNOSAMINE 238.0927 C00645 2350 N-ACETYLMANNOSAMINE 242.0641 C00645 2351 GLUCOSE 6-PHOSPHATE 281.0038 156.9 C00092 2352 GLUCOSE 6-PHOSPHATE 281.0038 156.9 C00092 2353 GLUCOSE 6-PHOSPHATE 259.0219 146.6 C00092 2354 GLUCOSE 6-PHOSPHATE 259.0219 146.6 C00092 2355 GLUCOSE 6-PHOSPHATE 277.0325 C00092 2356 GLUCOSE 6-PHOSPHATE 277.0325 C00092 2357 DIAMINOPIMELATE 211.0695 140.1 C00666 2358 DIAMINOPIMELATE 189.0875 136.9 C00666 2359 DIAMINOPIMELATE 207.0981 C00666 2360 AMINOADIPATE 160.061 129.9 C00956 2361 AMINOADIPATE 178.0715 C00956 2362 AMINOADIPATE 182.0429 134 C00956 2363 DEOXYCYTIDINE 248.0647 C00881 2364 DEOXYCYTIDINE 226.0828 148.7 C00881 2365 DEOXYCYTIDINE 244.0933 C00881 2366 NORADRENALINE 190.048 C00547 2367 NORADRENALINE 186.0766 C00547 2368 NORADRENALINE 168.0661 134.2 C00547 2369 GLUCOSAMINE 6-PHOSPHATE 280.0198 C00352 2370 GLUCOSAMINE 6-PHOSPHATE 258.0379 148.1 C00352 2371 GLUCOSAMINE 6-PHOSPHATE 276.0484 C00352 2372 TARTRATE 170.9906 C02107 2373 TARTRATE 170.9906 C00898 2374 TARTRATE 167.0192 C02107 2375 TARTRATE 167.0192 C00898 2376 TARTRATE 149.0086 118.1 C02107 2377 TARTRATE 149.0086 118.1 C00898 2378 3-DEHYDROSHIKIMATE 189.0399 C02637 2379 3-DEHYDROSHIKIMATE 171.0293 132 C02637 2380 3-DEHYDROSHIKIMATE 193.0113 C02637 2381 NORSPERMIDINE 130.1344 C03375 2382 NORSPERMIDINE 152.1164 C03375 2383 NORSPERMIDINE 148.145 C03375 2384 HOMOCYSTEINE 156.0095 127.6 C00155 2385 HOMOCYSTEINE 134.0276 143.6 C00155 2386 HOMOCYSTEINE 152.0381 C00155 2387 THEOPHYLLINE 201.0388 C07130 2388 THEOPHYLLINE 197.0675 C07130 2389 THEOPHYLLINE 179.0569 132 C07130 2390 LEUCINE 130.0868 130.6 C00123 2391 LEUCINE 148.0974 C00123 2392 LEUCINE 152.0687 C00123 2393 TREHALOSE 359.119 C01083 2394 TREHALOSE 341.1084 169.9 C01083 2395 TREHALOSE 363.0903 C01083 2396 BETAINE 116.0712 C00719 2397 BETAINE 134.0817 C00719 2398 BETAINE 138.0531 C00719 2399 TRYPTOPHAN 203.0821 142.5 C00078 2400 TRYPTOPHAN 203.0821 142.5 C00525 2401 TRYPTOPHAN 203.0821 151.5 C00078 2402 TRYPTOPHAN 203.0821 151.5 C00525 2403 TRYPTOPHAN 225.064 C00078 2404 TRYPTOPHAN 225.064 C00525 2405 TRYPTOPHAN 221.0926 C00078 2406 TRYPTOPHAN 221.0926 C00525 2407 3-SULFINOALANINE 173.9837 C00606 2408 3-SULFINOALANINE 170.0123 C00606 2409 3-SULFINOALANINE 152.0018 C00606 2410 O-SUCCINYL-HOMOSERINE 240.0484 145.8 C01118 2411 O-SUCCINYL-HOMOSERINE 218.0665 C01118 2412 O-SUCCINYL-HOMOSERINE 236.077 C01118 2413 ALLANTOIN 175.0467 C01551 2414 ALLANTOIN 157.0362 125.5 C01551 2415 ALLANTOIN 179.0181 C01551 2416 GLYCERALDEHYDE 111.0058 C02154 2417 GLYCERALDEHYDE 179.0556 C02154 2418 GLYCERALDEHYDE 107.0344 C02154 2419 GLYCERALDEHYDE 89.0239 C02154 2420 D-GLUCURONOLACTONE 175.0243 C02670 2421 D-GLUCURONOLACTONE 197.0062 C02670 2422 D-GLUCURONOLACTONE 193.0348 C02670 2423 (2-AMINOETHYL)PHOSPHONATE 124.0164 120 C03557 2424 (2-AMINOETHYL)PHOSPHONATE 145.9983 C03557 2425 (2-AMINOETHYL)PHOSPHONATE 142.0269 C03557 2426 SELENOMETHIONINE 195.9877 149.9 C05335 2427 SELENOMETHIONINE 217.9696 C05335 2428 SELENOMETHIONINE 213.9982 C05335 2429 MALEIMIDE 114.0191 C07272 2430 MALEIMIDE 117.9905 C07272 2431 MALEIMIDE 96.0086 C07272 2432 N,N-DIMETHYL-ARGININE 201.1352 148 C03626 2433 N,N-DIMETHYL-ARGININE 219.1457 C03626 2434 N,N-DIMETHYL-ARGININE 223.1171 C03626 2435 GLUCOSAMINE 196.0821 C00329 2436 GLUCOSAMINE 178.0715 C00329 2437 GLUCOSAMINE 200.0535 C00329 2438 PARAXANTHINE 179.0569 C13747 2439 PARAXANTHINE 197.0675 C13747 2440 PARAXANTHINE 201.0388 C13747 2441 ADENOSINE 5'-DIPHOSPHATE 448.0035 187.7 C00008 2442 ADENOSINE 5'-DIPHOSPHATE 426.0216 183.7 C00008 2443 ADENOSINE 5'-DIPHOSPHATE 444.0322 C00008 2444 2-DEOXY-D-GLUCOSE 181.0712 C00586 2445 2-DEOXY-D-GLUCOSE 163.0606 C00586 2446 2-DEOXY-D-GLUCOSE 185.0426 C00586 2447 1-METHYL-L-HISTIDINE 190.0592 C01152 2448 1-METHYL-L-HISTIDINE 168.0773 C01152 2449 1-METHYL-L-HISTIDINE 186.0879 C01152 2450 GALACTITOL 199.0818 C01697 2451 GALACTITOL 181.0712 130.5 C01697 2452 GALACTITOL 203.0532 C01697 2453 OXOPROLINE 150.0167 C01879 2454 OXOPROLINE 146.0453 C01879 2455 OXOPROLINE 128.0348 124.1 C01879 2456 4-PYRIDOXATE 200.0559 C00847 2457 4-PYRIDOXATE 204.0273 C00847 2458 4-PYRIDOXATE 182.0453 130.6 C00847 2459 QUINOLINATE 166.014 126.6 C03722 2460 QUINOLINATE 184.0246 C03722 2461 QUINOLINATE 187.996 C03722 2462 METHYLGUANIDINE 72.0562 C02294 2463 METHYLGUANIDINE 90.0667 C02294 2464 METHYLGUANIDINE 94.0381 C02294 2465 CAFFEINE 193.0726 C07481 2466 CAFFEINE 215.0545 C07481 2467 CAFFEINE 211.0831 C07481 2468 3-HYDROXY-3-METHYLGLUTARYL-COA 928.1602 C00356 2469 3-HYDROXY-3-METHYLGLUTARYL-COA 910.1497 261.9 C00356 2470 3-HYDROXY-3-METHYLGLUTARYL-COA 932.1316 267.3 C00356 2471 GLUCURONATE 193.0348 131.7 C00191 2472 GLUCURONATE 215.0168 C00191 2473 GLUCURONATE 211.0454 C00191 2474 1-METHYLADENOSINE 280.1046 162.7 C02494 2475 1-METHYLADENOSINE 298.1151 C02494 2476 1-METHYLADENOSINE 302.0865 C02494 2477 DEOXYURIDINE 245.0774 C00526 2478 DEOXYURIDINE 227.0668 148.9 C00526 2479 DEOXYURIDINE 249.0487 C00526 2480 TRANS-4-HYDROXY-L-PROLINE 148.061 C01157 2481 TRANS-4-HYDROXY-L-PROLINE 148.061 C01015 2482 TRANS-4-HYDROXY-L-PROLINE 130.0504 126.2 C01157 2483 TRANS-4-HYDROXY-L-PROLINE 130.0504 126.2 C01015 2484 TRANS-4-HYDROXY-L-PROLINE 152.0324 C01157 2485 TRANS-4-HYDROXY-L-PROLINE 152.0324 C01015 2486 UROCANATE 159.017 C00785 2487 UROCANATE 155.0457 C00785 2488 UROCANATE 137.0351 120.9 C00785 2489 KYNURENINE 229.0589 C00328 2490 KYNURENINE 229.0589 C00328 2491 KYNURENINE 207.077 C00328 2492 KYNURENINE 207.077 C00328 2493 KYNURENINE 225.0875 C00328 2494 KYNURENINE 225.0875 C00328 2495 PYROGLUTAMATE 146.0453 C01879 2496 PYROGLUTAMATE 150.0167 C01879 2497 PYROGLUTAMATE 128.0348 124.1 C01879 2498 4-ACETAMIDOBUTANOATE 162.0766 C02946 2499 4-ACETAMIDOBUTANOATE 166.048 C02946 2500 4-ACETAMIDOBUTANOATE 144.0661 130.8 C02946 2501 TRANS-CYCLOHEXANEDIOL 133.0865 C03739 2502 TRANS-CYCLOHEXANEDIOL 137.0579 C03739 2503 TRANS-CYCLOHEXANEDIOL 115.0759 C03739 2504 MELANIN 335.0668 C05606 2505 MELANIN 339.0382 C05606 2506 MELANIN 317.0562 C05606 2507 DOPAMINE 170.0817 C03758 2508 DOPAMINE 152.0712 131.8 C03758 2509 DOPAMINE 174.0531 C03758 2510 PUTRESCINE 87.0922 C00134 2511 PUTRESCINE 87.0922 C00134 2512 PUTRESCINE 109.0742 C00134 2513 PUTRESCINE 109.0742 C00134 2514 PUTRESCINE 105.1028 C00134 2515 PUTRESCINE 105.1028 C00134 2516 LYSINE 163.1083 C00047 2517 LYSINE 163.1083 C00047 2518 LYSINE 145.0977 133.7 C00047 2519 LYSINE 145.0977 133.7 C00047 2520 LYSINE 167.0796 C00047 2521 LYSINE 167.0796 C00047 2522 CITICOLINE 509.0815 210.2 C00307 2523 CITICOLINE 505.1101 C00307 2524 CITICOLINE 487.0995 205.9 C00307 2525 1,3-DIAMINOPROPANE 95.0585 C00986 2526 1,3-DIAMINOPROPANE 91.0871 C00986 2527 1,3-DIAMINOPROPANE 73.0766 C00986 2528 PHOSPHOSERINE 202.0117 C01005 2529 PHOSPHOSERINE 205.983 135.1 C01005 2530 PHOSPHOSERINE 184.0011 127.5 C01005 2531 1-AMINOCYCLOPROPANECARBOXYLATE 100.0399 135.1 C01234 2532 1-AMINOCYCLOPROPANECARBOXYLATE 100.0399 C01234 2533 1-AMINOCYCLOPROPANECARBOXYLATE 122.0218 C01234 2534 1-AMINOCYCLOPROPANECARBOXYLATE 118.0504 C01234 2535 GLUTARYLCARNITINE 274.1291 165.3 - 2536 GLUTARYLCARNITINE 296.111 - 2537 GLUTARYLCARNITINE 292.1396 - 2538 CYSTATHIONINE 243.0415 144.6 C02291 2539 CYSTATHIONINE 239.0702 C02291 2540 CYSTATHIONINE 221.0596 141.9 C02291 2541 NORVALINE 116.0712 142 C01799 2542 NORVALINE 138.0531 C01799 2543 NORVALINE 134.0817 C01799 2544 3-HYDROXYMETHYLGLUTARATE 183.0269 C03761 2545 3-HYDROXYMETHYLGLUTARATE 179.0556 C03761 2546 3-HYDROXYMETHYLGLUTARATE 161.045 126.5 C03761 2547 PHOSPHONOACETATE 156.9902 C05682 2548 PHOSPHONOACETATE 138.9796 C05682 2549 PHOSPHONOACETATE 160.9616 C05682 2550 PICOLINATE 140.0348 C10164 2551 PICOLINATE 144.0061 C10164 2552 PICOLINATE 122.0242 C10164 2553 ETHANOLAMINE 78.0555 C00189 2554 ETHANOLAMINE 82.0269 C00189 2555 ETHANOLAMINE 60.0449 C00189 2556 ARGININE 173.1039 136.4 C00062 2557 ARGININE 191.1144 C00062 2558 ARGININE 195.0858 C00062 2559 TRANS-4-HYDROXY-L-PROLINE 152.0324 C01157 2560 TRANS-4-HYDROXY-L-PROLINE 152.0324 C01015 2561 TRANS-4-HYDROXY-L-PROLINE 148.061 C01157 2562 TRANS-4-HYDROXY-L-PROLINE 148.061 C01015 2563 TRANS-4-HYDROXY-L-PROLINE 130.0504 126.3 C01157 2564 TRANS-4-HYDROXY-L-PROLINE 130.0504 126.3 C01015 2565 FUCOSE 163.0606 C01019 2566 FUCOSE 185.0426 C01019 2567 FUCOSE 181.0712 C01019 2568 HOMOCYSTINE 267.0473 151.6 C01817 2569 HOMOCYSTINE 289.0293 154.2 C01817 2570 HOMOCYSTINE 285.0579 C01817 2571 N-METHYLGLUTAMATE 182.0429 137.2 C01046 2572 N-METHYLGLUTAMATE 160.061 129.5 C01046 2573 N-METHYLGLUTAMATE 178.0715 C01046 2574 D-ORNITHINE 131.0821 128.3 C00515 2575 D-ORNITHINE 149.0926 C00515 2576 D-ORNITHINE 153.064 C00515 2577 XANTHOSINE 305.0498 161.9 C01762 2578 XANTHOSINE 283.0679 158.3 C01762 2579 XANTHOSINE 301.0784 C01762 2580 3-METHYLCROTONYL-COA 866.1598 C03069 2581 3-METHYLCROTONYL-COA 870.1312 266.9 C03069 2582 3-METHYLCROTONYL-COA 848.1492 256.7 C03069 2583 THYROTROPIN RELEASING HORMONE 379.173 C03958 2584 THYROTROPIN RELEASING HORMONE 383.1444 183.2 C03958 2585 THYROTROPIN RELEASING HORMONE 361.1624 184.5 C03958 2586 CYTIDINE MONOPHOSPHATE 322.044 164.4 C00055 2587 CYTIDINE MONOPHOSPHATE 322.044 164.4 C00055 2588 CYTIDINE MONOPHOSPHATE 340.0546 C00055 2589 CYTIDINE MONOPHOSPHATE 340.0546 C00055 2590 CYTIDINE MONOPHOSPHATE 344.026 163.2 C00055 2591 CYTIDINE MONOPHOSPHATE 344.026 163.2 C00055 2592 N-METHYLASPARTATE 164.0559 C12269 2593 N-METHYLASPARTATE 168.0273 C12269 2594 N-METHYLASPARTATE 146.0453 124 C12269 2595 GALACTARATE 209.0297 132.6 C00879 2596 GALACTARATE 227.0403 C00879 2597 GALACTARATE 231.0117 137.2 C00879 2598 HISTIDINE 176.0436 C00135 2599 HISTIDINE 176.0436 C00135 2600 HISTIDINE 172.0722 C00135 2601 HISTIDINE 172.0722 C00135 2602 HISTIDINE 154.0617 128.1 C00135 2603 HISTIDINE 154.0617 128.1 C00135 2604 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE 766.0414 C00857 2605 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE 743.0516 230.3 C00857 2606 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE 761.0622 C00857 2607 N-ACETYLASPARAGINE 195.0382 - 2608 N-ACETYLASPARAGINE 191.0668 - 2609 N-ACETYLASPARAGINE 173.0562 - 2610 PIPECOLATE 128.0712 128.3 C00408 2611 PIPECOLATE 128.0712 128.3 C00408 2612 PIPECOLATE 146.0817 C00408 2613 PIPECOLATE 146.0817 C00408 2614 PIPECOLATE 150.0531 C00408 2615 PIPECOLATE 150.0531 C00408 2616 GLUCOSE 6-PHOSPHATE 281.0038 C00092 2617 GLUCOSE 6-PHOSPHATE 281.0038 C00092 2618 GLUCOSE 6-PHOSPHATE 277.0325 C00092 2619 GLUCOSE 6-PHOSPHATE 277.0325 C00092 2620 GLUCOSE 6-PHOSPHATE 259.0219 146.5 C00092 2621 GLUCOSE 6-PHOSPHATE 259.0219 146.5 C00092 2622 NADP 760.0782 C00006 2623 NADP 764.0496 231.5 C00006 2624 NADP 742.0676 230.7 C00006 2625 CARBAMOYL PHOSPHATE 139.9749 C00169 2626 CARBAMOYL PHOSPHATE 139.9749 C00169 2627 CARBAMOYL PHOSPHATE 157.9854 C00169 2628 CARBAMOYL PHOSPHATE 157.9854 C00169 2629 CARBAMOYL PHOSPHATE 161.9568 C00169 2630 CARBAMOYL PHOSPHATE 161.9568 C00169 2631 ISOPENTENYL PYROPHOSPHATE 244.998 C00129 2632 ISOPENTENYL PYROPHOSPHATE 266.9799 C00129 2633 ISOPENTENYL PYROPHOSPHATE 263.0086 C00129 2634 GUANOSINE TRIPHOSPHATE 539.9934 C00044 2635 GUANOSINE TRIPHOSPHATE 543.9648 184.2 C00044 2636 GUANOSINE TRIPHOSPHATE 521.9828 193 C00044 2637 DTDP-D-GLUCOSE 563.0679 209.5 C00842 2638 DTDP-D-GLUCOSE 585.0499 218.2 C00842 2639 DTDP-D-GLUCOSE 581.0785 C00842 2640 AGMATINE SULFATE 147.1246 C00179 2641 AGMATINE SULFATE 129.114 C00179 2642 AGMATINE SULFATE 151.096 C00179 2643 GLYCOLALDEHYDE 137.045 C00266 2644 GLYCOLALDEHYDE 141.0164 C00266 2645 GLYCOLALDEHYDE 119.0344 C00266 2646 DGTP 505.9879 191.4 C00286 2647 DGTP 523.9985 C00286 2648 DGTP 527.9699 182.7 C00286 2649 N-ACETYLGLYCINE 138.0167 - 2650 N-ACETYLGLYCINE 134.0453 - 2651 N-ACETYLGLYCINE 116.0348 - 2652 N-ACETYLASPARTATE 196.0222 C01042 2653 N-ACETYLASPARTATE 192.0508 C01042 2654 N-ACETYLASPARTATE 174.0402 131 C01042 2655 INOSINE 5'-DIPHOSPHATE 445.0162 C00104 2656 INOSINE 5'-DIPHOSPHATE 427.0056 C00104 2657 INOSINE 5'-DIPHOSPHATE 448.9876 180 C00104 2658 PALMITOYLCARNITINE 398.327 C02990 2659 PALMITOYLCARNITINE 420.309 C02990 2660 PALMITOYLCARNITINE 416.3376 C02990 2661 DEOXYGUANOSINE-MONOPHOSPHATE 346.0553 168.4 C00362 2662 DEOXYGUANOSINE-MONOPHOSPHATE 368.0372 170.3 C00362 2663 DEOXYGUANOSINE-MONOPHOSPHATE 364.0658 C00362 2664 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE 685.0673 217.2 C04423 2665 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE 681.0959 C04423 2666 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE 663.0853 217.7 C04423 2667 S-ADENOSYLMETHIONINE 397.1294 C00019 2668 S-ADENOSYLMETHIONINE 419.1114 C00019 2669 S-ADENOSYLMETHIONINE 415.14 C00019 2670 6-PHOSPHOGLUCONATE 293.0274 C00345 2671 6-PHOSPHOGLUCONATE 296.9988 148.9 C00345 2672 6-PHOSPHOGLUCONATE 275.0168 143.6 C00345 2673 ALPHA-HYDROXYISOBUTYRATE 121.0501 - 2674 ALPHA-HYDROXYISOBUTYRATE 125.0215 - 2675 ALPHA-HYDROXYISOBUTYRATE 103.0395 - 2676 CYSTEATE 186.0072 C00506 2677 CYSTEATE 167.9967 123 C00506 2678 CYSTEATE 189.9786 131.4 C00506 2679 ADENOSINE-MONOPHOSPHATE 368.0372 179.5 C00020 2680 ADENOSINE-MONOPHOSPHATE 364.0658 C00020 2681 ADENOSINE-MONOPHOSPHATE 346.0553 173.1 C00020 2682 GLUCONATE 217.0324 C00257 2683 GLUCONATE 217.0324 C00257 2684 GLUCONATE 213.061 C00257 2685 GLUCONATE 213.061 C00257 2686 GLUCONATE 195.0505 132.4 C00257 2687 GLUCONATE 195.0505 132.4 C00257 2688 PUTRESCINE 87.0922 C00134 2689 PUTRESCINE 87.0922 C00134 2690 PUTRESCINE 105.1028 C00134 2691 PUTRESCINE 105.1028 C00134 2692 PUTRESCINE 109.0742 C00134 2693 PUTRESCINE 109.0742 C00134 2694 DEOXYCARNITINE 166.0844 C01181 2695 DEOXYCARNITINE 144.1025 C01181 2696 DEOXYCARNITINE 162.113 C01181 2697 ADENOSINE 2',3'-CYCLIC PHOSPHATE 350.0266 C02353 2698 ADENOSINE 2',3'-CYCLIC PHOSPHATE 328.0447 169.4 C02353 2699 ADENOSINE 2',3'-CYCLIC PHOSPHATE 346.0553 173.5 C02353 2700 MEVALOLACTONE 147.0657 - 2701 MEVALOLACTONE 129.0552 - 2702 MEVALOLACTONE 151.0371 - 2703 URIDINE DIPHOSPHATE GLUCOSE 583.0578 C00029 2704 URIDINE DIPHOSPHATE GLUCOSE 583.0578 C00029 2705 URIDINE DIPHOSPHATE GLUCOSE 565.0472 207.5 C00029 2706 URIDINE DIPHOSPHATE GLUCOSE 565.0472 207.5 C00029 2707 URIDINE DIPHOSPHATE GLUCOSE 587.0291 215.6 C00029 2708 URIDINE DIPHOSPHATE GLUCOSE 587.0291 215.6 C00029 2709 GAMMA,GAMMA-DIMETHYLALLYL PYROPHOSPHATE 244.998 C00235 2710 GAMMA,GAMMA-DIMETHYLALLYL PYROPHOSPHATE 263.0086 C00235 2711 GAMMA,GAMMA-DIMETHYLALLYL PYROPHOSPHATE 266.9799 C00235 2712 DEOXYURIDINE TRIPHOSPHATE 484.9764 C00460 2713 DEOXYURIDINE TRIPHOSPHATE 488.9477 188.9 C00460 2714 DEOXYURIDINE TRIPHOSPHATE 466.9658 178.6 C00460 2715 PHOSPHORYLCHOLINE 200.0688 C00588 2716 PHOSPHORYLCHOLINE 182.0582 C00588 2717 PHOSPHORYLCHOLINE 204.0402 C00588 2718 URIDINE TRIPHOSPHATE 482.9607 180.2 C00075 2719 URIDINE TRIPHOSPHATE 482.9607 180.2 C00075 2720 URIDINE TRIPHOSPHATE 504.9426 190.2 C00075 2721 URIDINE TRIPHOSPHATE 504.9426 190.2 C00075 2722 URIDINE TRIPHOSPHATE 500.9713 C00075 2723 URIDINE TRIPHOSPHATE 500.9713 C00075 2724 6-HYDROXYDOPAMINE 186.0766 - 2725 6-HYDROXYDOPAMINE 168.0661 - 2726 6-HYDROXYDOPAMINE 190.048 - 2727 THIAMINE 282.115 C00378 2728 THIAMINE 286.0864 C00378 2729 THIAMINE 264.1045 C00378 2730 DGDP 426.0216 180.8 C00361 2731 DGDP 448.0035 185.6 C00361 2732 DGDP 444.0322 C00361 2733 DGDP 448.0035 177.5 C00361 2734 5-METHYLCYTOSINE 146.033 C02376 2735 5-METHYLCYTOSINE 124.0511 C02376 2736 5-METHYLCYTOSINE 142.0617 C02376 2737 GLYCERATE 123.0293 C00258 2738 GLYCERATE 123.0293 C00258 2739 GLYCERATE 105.0188 C00258 2740 GLYCERATE 105.0188 C00258 2741 GLYCERATE 127.0007 C00258 2742 GLYCERATE 127.0007 C00258 2743 CYTIDINE 2',3'-CYCLIC PHOSPHATE 326.0154 165 C02354 2744 CYTIDINE 2',3'-CYCLIC PHOSPHATE 304.0335 164.5 C02354 2745 CYTIDINE 2',3'-CYCLIC PHOSPHATE 322.044 167.1 C02354 2746 N,N,N-TRIMETHYLLYSINE 209.1266 C03793 2747 N,N,N-TRIMETHYLLYSINE 205.1552 C03793 2748 N,N,N-TRIMETHYLLYSINE 187.1447 C03793 2749 PHOSPHOENOLPYRUVATE 184.9851 C00074 2750 PHOSPHOENOLPYRUVATE 184.9851 C00074 2751 PHOSPHOENOLPYRUVATE 188.9565 C00074 2752 PHOSPHOENOLPYRUVATE 188.9565 C00074 2753 PHOSPHOENOLPYRUVATE 166.9745 C00074 2754 PHOSPHOENOLPYRUVATE 166.9745 C00074 2755 URIDINE DIPHOSPHATE GLUCOSE 565.0472 207.4 C00029 2756 URIDINE DIPHOSPHATE GLUCOSE 565.0472 207.4 C00029 2757 URIDINE DIPHOSPHATE GLUCOSE 587.0291 215.6 C00029 2758 URIDINE DIPHOSPHATE GLUCOSE 587.0291 215.6 C00029 2759 URIDINE DIPHOSPHATE GLUCOSE 583.0578 C00029 2760 URIDINE DIPHOSPHATE GLUCOSE 583.0578 C00029 2761 GALACTOSE 1-PHOSPHATE 259.0219 148.2 C00446 2762 GALACTOSE 1-PHOSPHATE 277.0325 C00446 2763 GALACTOSE 1-PHOSPHATE 281.0038 C00446 2764 PYRIDOXAL-PHOSPHATE 246.0167 149.4 C00018 2765 PYRIDOXAL-PHOSPHATE 267.9987 153.2 C00018 2766 PYRIDOXAL-PHOSPHATE 264.0273 C00018 2767 DIHYDROXYACETONE PHOSPHATE 190.9721 C00111 2768 DIHYDROXYACETONE PHOSPHATE 187.0008 C00111 2769 DIHYDROXYACETONE PHOSPHATE 168.9902 C00111 2770 PHOSPHOENOLPYRUVATE 184.9851 C00074 2771 PHOSPHOENOLPYRUVATE 184.9851 C00074 2772 PHOSPHOENOLPYRUVATE 188.9565 C00074 2773 PHOSPHOENOLPYRUVATE 188.9565 C00074 2774 PHOSPHOENOLPYRUVATE 166.9745 C00074 2775 PHOSPHOENOLPYRUVATE 166.9745 C00074 2776 MANNOSE 6-PHOSPHATE 277.0325 C00275 2777 MANNOSE 6-PHOSPHATE 259.0219 146.2 C00275 2778 MANNOSE 6-PHOSPHATE 281.0038 156.7 C00275 2779 3-PHOSPHOGLYCERATE 206.9671 133 C00597 2780 3-PHOSPHOGLYCERATE 184.9851 124.4 C00597 2781 3-PHOSPHOGLYCERATE 202.9957 C00597 2782 3-PHOSPHOGLYCERATE 206.9671 141.6 C00597 2783 L-CARNITINE 178.1079 C00318 2784 L-CARNITINE 182.0793 C00318 2785 L-CARNITINE 160.0974 C00318 2786 O-PHOSPHOETHANOLAMINE 161.9932 C00346 2787 O-PHOSPHOETHANOLAMINE 140.0113 123.2 C00346 2788 O-PHOSPHOETHANOLAMINE 158.0218 C00346 2789 O-ACETYLSERINE 168.0273 C00979 2790 O-ACETYLSERINE 146.0453 C00979 2791 O-ACETYLSERINE 164.0559 C00979 2792 THYMIDINE-MONOPHOSPHATE 343.0307 167.6 C00364 2793 THYMIDINE-MONOPHOSPHATE 343.0307 167.6 C00364 2794 THYMIDINE-MONOPHOSPHATE 321.0488 163.1 C00364 2795 THYMIDINE-MONOPHOSPHATE 321.0488 163.1 C00364 2796 THYMIDINE-MONOPHOSPHATE 339.0593 C00364 2797 THYMIDINE-MONOPHOSPHATE 339.0593 C00364 2798 CYCLIC AMP 328.0447 171.8 C00575 2799 CYCLIC AMP 328.0447 171.8 C00575 2800 CYCLIC AMP 350.0266 C00575 2801 CYCLIC AMP 350.0266 C00575 2802 CYCLIC AMP 346.0553 C00575 2803 CYCLIC AMP 346.0553 C00575 2804 ADP-GLUCOSE 610.0564 218.4 C00498 2805 ADP-GLUCOSE 588.0744 217.5 C00498 2806 ADP-GLUCOSE 606.085 C00498 2807 FRUCTOSE 6-PHOSPHATE 277.0325 C00085 2808 FRUCTOSE 6-PHOSPHATE 259.0219 144.1 C00085 2809 FRUCTOSE 6-PHOSPHATE 281.0038 154.9 C00085 2810 ADENOSINE 3',5'-DIPHOSPHATE 448.0035 188.5 C00054 2811 ADENOSINE 3',5'-DIPHOSPHATE 444.0322 C00054 2812 ADENOSINE 3',5'-DIPHOSPHATE 426.0216 184.3 C00054 2813 3-NITRO-L-TYROSINE 243.0617 - 2814 3-NITRO-L-TYROSINE 247.0331 147.7 - 2815 3-NITRO-L-TYROSINE 225.0511 148.9 - 2816 P-OCTOPAMINE 170.0817 C04227 2817 P-OCTOPAMINE 152.0712 C04227 2818 P-OCTOPAMINE 174.0531 C04227 2819 N-ALPHA-ACETYLLYSINE 205.1188 C12989 2820 N-ALPHA-ACETYLLYSINE 187.1083 145 C12989 2821 N-ALPHA-ACETYLLYSINE 209.0902 C12989 2822 URIDINE DIPHOSPHATEGALACTOSE 565.0472 208.9 C00052 2823 URIDINE DIPHOSPHATEGALACTOSE 587.0291 215.7 C00052 2824 URIDINE DIPHOSPHATEGALACTOSE 583.0578 C00052 2825 SPERMIDINE 162.1606 C00315 2826 SPERMIDINE 162.1606 C00315 2827 SPERMIDINE 166.132 C00315 2828 SPERMIDINE 166.132 C00315 2829 SPERMIDINE 144.1501 C00315 2830 SPERMIDINE 144.1501 C00315 2831 PYRIDOXAMINE 189.064 C00534 2832 PYRIDOXAMINE 185.0926 C00534 2833 PYRIDOXAMINE 167.0821 133.9 C00534 2834 5-AMINOLEVULINATE 152.0324 C00430 2835 5-AMINOLEVULINATE 130.0504 C00430 2836 5-AMINOLEVULINATE 148.061 C00430 2837 DEOXYURIDINE-MONOPHOSPHATE 307.0331 159.2 C00365 2838 DEOXYURIDINE-MONOPHOSPHATE 329.0151 171.9 C00365 2839 DEOXYURIDINE-MONOPHOSPHATE 325.0437 C00365 2840 DEOXYURIDINE-MONOPHOSPHATE 329.0151 161.9 C00365 2841 ADENOSINE TRIPHOSPHATE 505.9879 188.2 C00002 2842 ADENOSINE TRIPHOSPHATE 505.9879 188.2 C00002 2843 ADENOSINE TRIPHOSPHATE 523.9985 C00002 2844 ADENOSINE TRIPHOSPHATE 523.9985 C00002 2845 ADENOSINE TRIPHOSPHATE 527.9699 193.5 C00002 2846 ADENOSINE TRIPHOSPHATE 527.9699 193.5 C00002 2847 RIBOSE 1,5-BISPHOSPHATE 330.9596 C01182 2848 RIBOSE 1,5-BISPHOSPHATE 326.9882 C01182 2849 RIBOSE 1,5-BISPHOSPHATE 308.9777 C01182 2850 XANTHOSINE-MONOPHOSPHATE 385.0161 170.9 C00655 2851 XANTHOSINE-MONOPHOSPHATE 381.0448 C00655 2852 XANTHOSINE-MONOPHOSPHATE 363.0342 166.3 C00655 2853 FAD 802.1599 C00016 2854 FAD 806.1313 256.2 C00016 2855 FAD 784.1493 238.7 C00016 2856 DEOXYGUANOSINE 266.0889 159.1 C00330 2857 DEOXYGUANOSINE 288.0709 C00330 2858 DEOXYGUANOSINE 284.0995 C00330 2859 OROTATE 155.0093 C00295 2860 OROTATE 155.0093 C00295 2861 OROTATE 173.0198 C00295 2862 OROTATE 173.0198 C00295 2863 OROTATE 176.9912 C00295 2864 OROTATE 176.9912 C00295 2865 LAUROYLCARNITINE 364.2464 - 2866 LAUROYLCARNITINE 360.275 - 2867 LAUROYLCARNITINE 342.2644 - 2868 1-METHYLNICOTINAMIDE 136.0637 C02918 2869 1-METHYLNICOTINAMIDE 154.0742 C02918 2870 1-METHYLNICOTINAMIDE 158.0456 C02918 2871 SPERMINE 201.2079 C00750 2872 SPERMINE 219.2185 C00750 2873 SPERMINE 223.1899 C00750 2874 N-ACETYLMETHIONINE 212.0357 C02712 2875 N-ACETYLMETHIONINE 190.0538 142.6 C02712 2876 N-ACETYLMETHIONINE 208.0644 C02712 2877 CARBAMOYL PHOSPHATE 157.9854 C00169 2878 CARBAMOYL PHOSPHATE 157.9854 C00169 2879 CARBAMOYL PHOSPHATE 139.9749 C00169 2880 CARBAMOYL PHOSPHATE 139.9749 C00169 2881 CARBAMOYL PHOSPHATE 161.9568 C00169 2882 CARBAMOYL PHOSPHATE 161.9568 C00169 2883 PHOSPHORIBOSYL PYROPHOSPHATE 406.9546 C00119 2884 AICAR 337.0549 170.4 C04677 2885 AICAR 359.0369 175.3 C04677 2886 AICAR 355.0655 C04677 2887 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 624.0843 C00203 2888 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 628.0557 228.2 C00203 2889 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 606.0737 223.9 C00203 2890 GLYCERALDEHYDE 3-PHOSPHATE 187.0008 C00661 2891 GLYCERALDEHYDE 3-PHOSPHATE 190.9721 C00661 2892 GLYCERALDEHYDE 3-PHOSPHATE 168.9902 C00661 2893 CYCLIC GMP 362.0502 C00942 2894 CYCLIC GMP 366.0216 169.7 C00942 2895 CYCLIC GMP 344.0396 167.8 C00942 2896 HOMOCYSTEINE THIOLACTONE 116.017 - 2897 HOMOCYSTEINE THIOLACTONE 134.0276 - 2898 HOMOCYSTEINE THIOLACTONE 137.999 - 2899 O-PHOSPHOSERINE 184.0011 C01005 2900 O-PHOSPHOSERINE 202.0117 C01005 2901 O-PHOSPHOSERINE 205.983 C01005 2902 S-ADENOSYLHOMOCYSTEINE 405.0957 180.3 C00021 2903 S-ADENOSYLHOMOCYSTEINE 383.1138 186.4 C00021 2904 S-ADENOSYLHOMOCYSTEINE 401.1243 C00021 2905 L-ORNITHINE 131.0821 C00077 2906 L-ORNITHINE 153.064 C00077 2907 L-ORNITHINE 149.0926 C00077 2908 ADENINE 156.0286 C00147 2909 ADENINE 156.0286 C00147 2910 ADENINE 152.0572 C00147 2911 ADENINE 152.0572 C00147 2912 ADENINE 134.0467 119.8 C00147 2913 ADENINE 134.0467 119.8 C00147 2914 NORMETANEPHRINE 204.0637 C05589 2915 NORMETANEPHRINE 200.0923 C05589 2916 NORMETANEPHRINE 182.0817 C05589 2917 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE 624.0843 C00043 2918 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE 606.0737 224 C00043 2919 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE 628.0557 227.9 C00043 2920 GUANOSINE DIPHOSPHATE 463.9985 186.4 C00035 2921 GUANOSINE DIPHOSPHATE 460.0271 C00035 2922 GUANOSINE DIPHOSPHATE 442.0165 182.4 C00035 2923 PHOSPHOCREATINE 232.0099 142.7 C02305 2924 PHOSPHOCREATINE 232.0099 142.7 C02305 2925 PHOSPHOCREATINE 228.0385 C02305 2926 PHOSPHOCREATINE 228.0385 C02305 2927 PHOSPHOCREATINE 210.028 C02305 2928 PHOSPHOCREATINE 210.028 C02305 2929 URIDINE DIPHOSPHATE GLUCURONIC ACID 601.0084 204.6 C00167 2930 URIDINE DIPHOSPHATE GLUCURONIC ACID 597.037 C00167 2931 URIDINE DIPHOSPHATE GLUCURONIC ACID 579.0265 211.9 C00167 2932 N,N-DIMETHYLARGININE 201.1352 C03626 2933 N,N-DIMETHYLARGININE 223.1171 C03626 2934 N,N-DIMETHYLARGININE 219.1457 C03626 2935 CYTIDINE DIPHOSPHATE 420.0209 C00112 2936 CYTIDINE DIPHOSPHATE 423.9923 176.3 C00112 2937 CYTIDINE DIPHOSPHATE 402.0104 174.2 C00112 2938 SELENOCYSTAMINE 268.9072 - 2939 SELENOCYSTAMINE 246.9253 - 2940 SELENOCYSTAMINE 264.9358 - 2941 HISTAMINE 132.0538 C00388 2942 HISTAMINE 128.0824 C00388 2943 HISTAMINE 110.0718 C00388 2944 INDOXYL SULFATE 230.0123 C08481 2945 INDOXYL SULFATE 233.9837 C08481 2946 INDOXYL SULFATE 212.0018 143.3 C08481 2947 ETHYL 3-UREIDOPROPIONATE 159.077 - 2948 ETHYL 3-UREIDOPROPIONATE 177.0875 - 2949 ETHYL 3-UREIDOPROPIONATE 181.0589 - 2950 DEOXYRIBOSE 155.032 C01801 2951 DEOXYRIBOSE 151.0606 C01801 2952 DEOXYRIBOSE 133.0501 C01801 2953 PHYTATE 676.8641 C01204 2954 PHYTATE 658.8535 195.4 C01204 2955 PHYTATE 680.8355 201.3 C01204 2956 THIAMINE MONOPHOSPHATE 365.0449 180.2 C01081 2957 THIAMINE MONOPHOSPHATE 365.0449 174.3 C01081 2958 THIAMINE MONOPHOSPHATE 361.0736 C01081 2959 THIAMINE MONOPHOSPHATE 343.063 C01081 2960 URACIL 5-CARBOXYLATE 155.0093 118.9 C03030 2961 URACIL 5-CARBOXYLATE 173.0198 C03030 2962 URACIL 5-CARBOXYLATE 176.9912 C03030 2963 S-HEXYL-GLUTATHIONE 390.1699 189 C02886 2964 S-HEXYL-GLUTATHIONE 408.1804 C02886 2965 S-HEXYL-GLUTATHIONE 412.1518 192.4 C02886 2966 GLYOXYLATE 91.0031 C00048 2967 GLYOXYLATE 72.9926 C00048 2968 GLYOXYLATE 94.9745 C00048 2969 GUANOSINE MONOPHOSPHATE 380.0607 C00144 2970 GUANOSINE MONOPHOSPHATE 384.0321 172.1 C00144 2971 GUANOSINE MONOPHOSPHATE 362.0502 169.4 C00144 2972 N-ACETYLALANINE 148.061 - 2973 N-ACETYLALANINE 130.0504 - 2974 N-ACETYLALANINE 152.0324 - 2975 4-GUANIDINOBUTANOATE 166.0592 C01035 2976 4-GUANIDINOBUTANOATE 162.0879 C01035 2977 4-GUANIDINOBUTANOATE 144.0773 C01035 2978 HYDROXYPYRUVATE 124.9851 C00168 2979 HYDROXYPYRUVATE 121.0137 C00168 2980 HYDROXYPYRUVATE 103.0031 C00168 2981 D-MANNOSAMINE 200.0535 C03570 2982 D-MANNOSAMINE 178.0715 C03570 2983 D-MANNOSAMINE 196.0821 C03570 2984 CYTOCHROME C 905.2542 C00524 2985 CYTOCHROME C 901.2828 C00524 2986 CYTOCHROME C 883.2722 C00524 2987 O-ACETYLCARNITINE 220.1185 C02571 2988 O-ACETYLCARNITINE 202.1079 C02571 2989 O-ACETYLCARNITINE 224.0899 C02571 2990 RIBOFLAVIN 397.1124 C00255 2991 RIBOFLAVIN 375.1305 186.1 C00255 2992 RIBOFLAVIN 393.141 C00255 2993 METHYL GALACTOSIDE 211.0818 C03619 2994 METHYL GALACTOSIDE 215.0532 C03619 2995 METHYL GALACTOSIDE 193.0712 C03619 2996 GLUTARATE 149.045 C00489 2997 GLUTARATE 149.045 C00489 2998 GLUTARATE 131.0344 121.4 C00489 2999 GLUTARATE 131.0344 121.4 C00489 3000 GLUTARATE 153.0164 129 C00489 3001 GLUTARATE 153.0164 129 C00489 3002 DIHYDROXYFUMARATE 165.0035 C00975 3003 DIHYDROXYFUMARATE 168.9749 C00975 3004 DIHYDROXYFUMARATE 146.993 C00975 3005 CYTIDINE MONOPHOSPHATE 340.0546 C00055 3006 CYTIDINE MONOPHOSPHATE 340.0546 C00055 3007 CYTIDINE MONOPHOSPHATE 344.026 163.4 C00055 3008 CYTIDINE MONOPHOSPHATE 344.026 163.4 C00055 3009 CYTIDINE MONOPHOSPHATE 322.044 164.5 C00055 3010 CYTIDINE MONOPHOSPHATE 322.044 164.5 C00055 3011 GUANOSINE DIPHOSPHATE MANNOSE 626.0513 205.5 C00096 3012 GUANOSINE DIPHOSPHATE MANNOSE 626.0513 217.2 C00096 3013 GUANOSINE DIPHOSPHATE MANNOSE 622.0799 C00096 3014 GUANOSINE DIPHOSPHATE MANNOSE 604.0693 209 C00096 3015 5'-DEOXYADENOSINE 268.1046 C05198 3016 5'-DEOXYADENOSINE 250.094 154.8 C05198 3017 5'-DEOXYADENOSINE 272.076 C05198 3018 GLUTATHIONE REDUCED 324.0865 C00051 3019 GLUTATHIONE REDUCED 306.076 162.1 C00051 3020 GLUTATHIONE REDUCED 328.0579 164.8 C00051 3021 ERYTHRITOL 121.0501 C00503 3022 ERYTHRITOL 139.0606 C00503 3023 ERYTHRITOL 143.032 C00503 3024 GLUCOSAMINATE 194.0665 135.7 C03752 3025 GLUCOSAMINATE 216.0484 C03752 3026 GLUCOSAMINATE 212.077 C03752 3027 URIDINE TRIPHOSPHATE 504.9426 C00075 3028 URIDINE TRIPHOSPHATE 504.9426 C00075 3029 URIDINE TRIPHOSPHATE 482.9607 180.1 C00075 3030 URIDINE TRIPHOSPHATE 482.9607 180.1 C00075 3031 URIDINE TRIPHOSPHATE 500.9713 C00075 3032 URIDINE TRIPHOSPHATE 500.9713 C00075 3033 DEOXYADENOSINE 268.1046 C00559 3034 DEOXYADENOSINE 272.076 C00559 3035 DEOXYADENOSINE 250.094 155.3 C00559 3036 N-ACETYLPUTRESCINE 129.1028 C02714 3037 N-ACETYLPUTRESCINE 151.0847 C02714 3038 N-ACETYLPUTRESCINE 147.1134 C02714 3039 N-ACETYLGALACTOSAMINE 242.0641 C01074 3040 N-ACETYLGALACTOSAMINE 238.0927 C01074 3041 N-ACETYLGALACTOSAMINE 220.0821 C01074 3042 N-ACETYLGLUTAMATE 206.0665 C00624 3043 N-ACETYLGLUTAMATE 188.0559 136.9 C00624 3044 N-ACETYLGLUTAMATE 210.0378 143.3 C00624 3045 2,4-DIHYDROXYPTERIDINE 181.0362 C03212 3046 2,4-DIHYDROXYPTERIDINE 185.0075 C03212 3047 2,4-DIHYDROXYPTERIDINE 163.0256 125.3 C03212 3048 6-HYDROXYNICOTINATE 156.0297 C01020 3049 6-HYDROXYNICOTINATE 138.0191 C01020 3050 6-HYDROXYNICOTINATE 160.0011 C01020 3051 N-ACETYLCYSTEINE 162.0225 - 3052 N-ACETYLCYSTEINE 184.0044 - 3053 N-ACETYLCYSTEINE 180.0331 - 3054 INOSINE-MONOPHOSPHATE 369.0212 166.6 C00130 3055 INOSINE-MONOPHOSPHATE 365.0498 C00130 3056 INOSINE-MONOPHOSPHATE 347.0393 171.4 C00130 3057 PANTOTHENATE 240.0848 C00864 3058 PANTOTHENATE 218.1028 146.6 C00864 3059 PANTOTHENATE 236.1134 C00864 3060 2-AMINOISOBUTYRATE 124.0374 C03665 3061 2-AMINOISOBUTYRATE 120.0661 C03665 3062 2-AMINOISOBUTYRATE 102.0555 C03665 3063 ANILINE-2-SULFONATE 193.9888 C06333 3064 ANILINE-2-SULFONATE 172.0068 130.5 C06333 3065 ANILINE-2-SULFONATE 190.0174 C06333 3066 S-CARBOXYMETHYLCYSTEINE 178.0174 130 C03727 3067 S-CARBOXYMETHYLCYSTEINE 196.028 C03727 3068 S-CARBOXYMETHYLCYSTEINE 199.9993 136.7 C03727 3069 RHAMNOSE 185.0426 C00507 3070 RHAMNOSE 163.0606 C00507 3071 RHAMNOSE 181.0712 C00507 3072 THIAMINE PYROPHOSPHATE 441.0399 C00068 3073 THIAMINE PYROPHOSPHATE 423.0293 178.2 C00068 3074 THIAMINE PYROPHOSPHATE 445.0113 C00068 3075 HISTIDINOL 140.0824 127.5 C00860 3076 HISTIDINOL 162.0643 C00860 3077 HISTIDINOL 158.093 C00860 3078 THYMIDINE-MONOPHOSPHATE 321.0488 163.2 C00364 3079 THYMIDINE-MONOPHOSPHATE 321.0488 163.2 C00364 3080 THYMIDINE-MONOPHOSPHATE 339.0593 C00364 3081 THYMIDINE-MONOPHOSPHATE 339.0593 C00364 3082 THYMIDINE-MONOPHOSPHATE 343.0307 176.2 C00364 3083 THYMIDINE-MONOPHOSPHATE 343.0307 176.2 C00364 3084 THYMIDINE-MONOPHOSPHATE 343.0307 167.6 C00364 3085 THYMIDINE-MONOPHOSPHATE 343.0307 167.6 C00364 3086 UREIDOPROPIONATE 149.0562 C02642 3087 UREIDOPROPIONATE 153.0276 C02642 3088 UREIDOPROPIONATE 131.0457 C02642 3089 5-AMINOPENTANOATE 138.0531 C00431 3090 5-AMINOPENTANOATE 134.0817 C00431 3091 5-AMINOPENTANOATE 116.0712 C00431 3092 NORLEUCINE 148.0974 C01933 3093 NORLEUCINE 130.0868 132 C01933 3094 NORLEUCINE 152.0687 C01933 3095 N-FORMYLGLYCINE 124.0011 - 3096 N-FORMYLGLYCINE 102.0191 - 3097 N-FORMYLGLYCINE 120.0297 - 3098 ADENOSINE 288.0709 C00212 3099 ADENOSINE 284.0995 C00212 3100 ADENOSINE 266.0889 157.6 C00212 3101 RAFFINOSE 503.1612 197.3 C00492 3102 RAFFINOSE 525.1432 C00492 3103 RAFFINOSE 521.1718 C00492 3104 MESO-TARTRATE 170.9906 C00552 3105 MESO-TARTRATE 167.0192 C00552 3106 MESO-TARTRATE 149.0086 118.1 C00552 3107 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 219.0981 155.2 - 3108 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 237.1087 - 3109 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE 241.08 - 3110 SACCHARATE 231.0117 137.3 C00818 3111 SACCHARATE 227.0403 C00818 3112 SACCHARATE 209.0297 133.3 C00818 3113 ADENOSINE TRIPHOSPHATE 523.9985 C00002 3114 ADENOSINE TRIPHOSPHATE 523.9985 C00002 3115 ADENOSINE TRIPHOSPHATE 505.9879 188.3 C00002 3116 ADENOSINE TRIPHOSPHATE 505.9879 188.3 C00002 3117 ADENOSINE TRIPHOSPHATE 527.9699 193.5 C00002 3118 ADENOSINE TRIPHOSPHATE 527.9699 193.5 C00002 3119 3-METHOXYTYROSINE 232.0586 150.8 - 3120 3-METHOXYTYROSINE 228.0872 - 3121 3-METHOXYTYROSINE 210.0766 148.1 - 3122 LACTOSE 363.0903 C00243 3123 LACTOSE 359.119 C00243 3124 LACTOSE 341.1084 176.9 C00243 3125 3-HYDROXYBUTANOATE 125.0215 C01089 3126 3-HYDROXYBUTANOATE 103.0395 C01089 3127 3-HYDROXYBUTANOATE 121.0501 C01089 3128 4-IMIDAZOLEACETATE 125.0351 C02835 3129 4-IMIDAZOLEACETATE 143.0457 C02835 3130 4-IMIDAZOLEACETATE 147.017 C02835 3131 GALACTURONATE 211.0454 C08348 3132 GALACTURONATE 193.0348 131.3 C08348 3133 GALACTURONATE 215.0168 C08348 3134 CYTIDINE TRIPHOSPHATE 499.9873 C00063 3135 CYTIDINE TRIPHOSPHATE 503.9586 185 C00063 3136 CYTIDINE TRIPHOSPHATE 481.9767 181.2 C00063 3137 CYCLIC AMP 346.0553 C00575 3138 CYCLIC AMP 346.0553 C00575 3139 CYCLIC AMP 328.0447 172 C00575 3140 CYCLIC AMP 328.0447 172 C00575 3141 CYCLIC AMP 350.0266 C00575 3142 CYCLIC AMP 350.0266 C00575 3143 METHIONINE SULFOXIMINE 179.049 136.2 C03510 3144 METHIONINE SULFOXIMINE 201.031 C03510 3145 METHIONINE SULFOXIMINE 197.0596 C03510 3146 CIS-4-HYDROXY-D-PROLINE 152.0324 C01015 3147 CIS-4-HYDROXY-D-PROLINE 130.0504 124.3 C01015 3148 CIS-4-HYDROXY-D-PROLINE 148.061 C01015 3149 N1-ACETYLSPERMINE 261.2291 C02567 3150 N1-ACETYLSPERMINE 265.2004 C02567 3151 N1-ACETYLSPERMINE 243.2185 C02567 3152 MESOXALATE 134.993 C00830 3153 MESOXALATE 138.9643 C00830 3154 MESOXALATE 116.9824 C00830 3155 NADP 760.0782 243.9 C00006 3156 NADP 764.0496 231.8 C00006 3157 NADP 742.0676 230.9 C00006 3158 NADPH 762.0938 C00005 3159 NADPH 744.0833 246.7 C00005 3160 3-METHYLHISTAMINE 124.0875 - 3161 3-METHYLHISTAMINE 142.098 - 3162 3-METHYLHISTAMINE 146.0694 - 3163 MALEAMATE 136.0011 C01596 3164 MALEAMATE 114.0191 C01596 3165 MALEAMATE 132.0297 C01596 3166 CHOLINE 121.1103 C00114 3167 CHOLINE 103.0997 C00114 3168 CHOLINE 125.0817 C00114 3169 METHYL 4-AMINOBUTYRATE 134.0817 C00334 3170 METHYL 4-AMINOBUTYRATE 116.0712 C00334 3171 METHYL 4-AMINOBUTYRATE 138.0531 C00334 3172 N-FORMYL-L-METHIONINE 198.0201 C03145 3173 N-FORMYL-L-METHIONINE 194.0487 C03145 3174 N-FORMYL-L-METHIONINE 176.0381 136.1 C03145 3175 ACETYLCHOLINE 145.1103 C01996 3176 ACETYLCHOLINE 167.0922 C01996 3177 ACETYLCHOLINE 163.1208 C01996 3178 OXALATE 110.9694 C00209 3179 OXALATE 106.998 C00209 3180 OXALATE 88.9875 C00209 3181 5-HYDROXYTRYPTOPHAN 237.0875 C01017 3182 5-HYDROXYTRYPTOPHAN 219.077 146.9 C01017 3183 5-HYDROXYTRYPTOPHAN 219.077 151.5 C01017 3184 5-HYDROXYTRYPTOPHAN 241.0589 149.7 C01017 3185 D-ALANINE 110.0218 C00133¬† 3186 D-ALANINE 106.0504 C00133¬† 3187 D-ALANINE 88.0399 C00133¬† 3188 THEOBROMINE 179.0569 C07480 3189 THEOBROMINE 201.0388 C07480 3190 THEOBROMINE 197.0675 C07480 3191 GUANIDINOSUCCINATE 196.0334 147 C03139 3192 GUANIDINOSUCCINATE 192.062 C03139 3193 GUANIDINOSUCCINATE 174.0515 130.2 C03139 3194 HISTIDINE 154.0617 128.5 C00135 3195 HISTIDINE 154.0617 128.5 C00135 3196 HISTIDINE 172.0722 C00135 3197 HISTIDINE 172.0722 C00135 3198 HISTIDINE 176.0436 C00135 3199 HISTIDINE 176.0436 C00135 3200 ALLOTHREONINE 136.061 C05519 3201 ALLOTHREONINE 140.0324 C05519 3202 ALLOTHREONINE 118.0504 119.3 C05519 3203 PHOSPHOCREATINE 232.0099 142.8 C02305 3204 PHOSPHOCREATINE 232.0099 142.8 C02305 3205 PHOSPHOCREATINE 228.0385 C02305 3206 PHOSPHOCREATINE 228.0385 C02305 3207 PHOSPHOCREATINE 210.028 C02305 3208 PHOSPHOCREATINE 210.028 C02305 3209 SPERMIDINE 166.132 C00315 3210 SPERMIDINE 166.132 C00315 3211 SPERMIDINE 144.1501 C00315 3212 SPERMIDINE 144.1501 C00315 3213 SPERMIDINE 162.1606 C00315 3214 SPERMIDINE 162.1606 C00315 3215 ADENOSINE DIPHOSPHATE RIBOSE 576.0744 204.5 C00301 3216 ADENOSINE DIPHOSPHATE RIBOSE 580.0458 211.5 C00301 3217 ADENOSINE DIPHOSPHATE RIBOSE 558.0638 202.3 C00301 3218 ADENOSINE DIPHOSPHATE RIBOSE 558.0638 207.2 C00301 3219 2-METHOXYETHANOL 93.0552 - 3220 2-METHOXYETHANOL 97.0266 - 3221 2-METHOXYETHANOL 75.0446 - 3222 CITRAMALATE 147.0293 122 C00815 3223 CITRAMALATE 169.0113 C00815 3224 CITRAMALATE 165.0399 C00815 3225 ANSERINE 257.125 C01262 3226 ANSERINE 261.0964 C01262 3227 ANSERINE 239.1144 154.8 C01262 3228 BILIVERDIN 603.222 C00500 3229 BILIVERDIN 581.24 246 C00500 3230 BILIVERDIN 599.2506 C00500 3231 5-HYDROXYLYSINE 161.0926 134 C16741 3232 5-HYDROXYLYSINE 183.0746 C16741 3233 5-HYDROXYLYSINE 179.1032 C16741 3234 CYSTEAMINE 76.0221 C01678 3235 CYSTEAMINE 94.0327 C01678 3236 CYSTEAMINE 98.004 C01678 3237 OPHTHALMATE 306.1301 C21016 3238 OPHTHALMATE 310.1015 163.7 C21016 3239 OPHTHALMATE 288.1196 160.9 C21016 3240 2,3-DIAMINOPROPIONATE 103.0508 118.2 C03401 3241 2,3-DIAMINOPROPIONATE 121.0613 C03401 3242 2,3-DIAMINOPROPIONATE 125.0327 C03401 3243 TRIGONELLINE 136.0399 C01004 3244 TRIGONELLINE 154.0504 C01004 3245 TRIGONELLINE 158.0218 C01004 3246 EPINEPHRINE 182.0817 140.1 C00788 3247 EPINEPHRINE 200.0923 C00788 3248 EPINEPHRINE 204.0637 C00788 3249 3,4-DIHYDROXYPHENYLGLYCOL 187.0606 C05576 3250 3,4-DIHYDROXYPHENYLGLYCOL 191.032 C05576 3251 3,4-DIHYDROXYPHENYLGLYCOL 151.0395 127.5 C05576 3252 3,4-DIHYDROXYPHENYLGLYCOL 169.0501 C05576 3253 CADAVERINE 101.1079 C01672 3254 CADAVERINE 119.1184 C01672 3255 CADAVERINE 123.0898 C01672 3256 2-HYDROXYBUTYRATE 121.0501 C05984 3257 2-HYDROXYBUTYRATE 125.0215 C05984 3258 2-HYDROXYBUTYRATE 103.0395 117.2 C05984 3259 COENZYME A 784.1179 C00010 3260 COENZYME A 788.0893 246.2 C00010 3261 COENZYME A 766.1074 244.4 C00010 3262 OXALOMALATE 204.9984 C01990 3263 OXALOMALATE 226.9804 C01990 3264 OXALOMALATE 223.009 C01990 3265 INOSINE TRIPHOSPHATE 524.9825 C00081 3266 INOSINE TRIPHOSPHATE 528.9539 182.8 C00081 3267 INOSINE TRIPHOSPHATE 506.9719 189.2 C00081 3268 CDP-ETHANOLAMINE 467.0345 186.1 C00570 3269 CDP-ETHANOLAMINE 445.0526 188.2 C00570 3270 CDP-ETHANOLAMINE 463.0631 C00570 3271 2,5-DIMETHYLPYRAZINE 107.0609 - 3272 2,5-DIMETHYLPYRAZINE 129.0429 - 3273 2,5-DIMETHYLPYRAZINE 125.0715 - 3274 STACHYOSE 665.214 224.1 C01613 3275 STACHYOSE 683.2246 C01613 3276 STACHYOSE 687.196 C01613 3277 DEOXYCYTIDINE-DIPHOSPHATE 404.026 C00705 3278 DEOXYCYTIDINE-DIPHOSPHATE 407.9974 176.6 C00705 3279 DEOXYCYTIDINE-DIPHOSPHATE 386.0154 174.1 C00705 3280 2,3-BUTANEDIOL 89.0603 C03044 3281 2,3-BUTANEDIOL 107.0708 C03044 3282 2,3-BUTANEDIOL 111.0422 C03044 3283 D-RIBOSE 5-PHOSPHATE 229.0113 139.4 C00117 3284 D-RIBOSE 5-PHOSPHATE 247.0219 C00117 3285 D-RIBOSE 5-PHOSPHATE 250.9933 C00117 3286 HYDROXYKYNURENINE 241.0824 C02794 3287 HYDROXYKYNURENINE 223.0719 C02794 3288 HYDROXYKYNURENINE 245.0538 C02794 3289 GALACTOSAMINE 200.0535 C02262 3290 GALACTOSAMINE 196.0821 C02262 3291 GALACTOSAMINE 178.0715 C02262 3292 DEOXYADENOSINE TRIPHOSPHATE 508.0036 C00131 3293 DEOXYADENOSINE TRIPHOSPHATE 511.975 185.9 C00131 3294 DEOXYADENOSINE TRIPHOSPHATE 489.993 186.5 C00131 3295 GLYCEROL 3-PHOSPHATE 171.0058 127.2 C00093 3296 GLYCEROL 3-PHOSPHATE 192.9878 C00093 3297 GLYCEROL 3-PHOSPHATE 189.0164 C00093 3298 CYANOCOBALAMIN 1354.5674 C02803 3299 CYANOCOBALAMIN 1372.578 C02803 3300 CYANOCOBALAMIN 1376.5494 C02803 3301 4-HYDROXY-L-PHENYLGLYCINE 166.0504 C12323 3302 4-HYDROXY-L-PHENYLGLYCINE 184.061 C12323 3303 4-HYDROXY-L-PHENYLGLYCINE 188.0324 C12323 3304 N-ACETYLSERINE 168.0273 - 3305 N-ACETYLSERINE 164.0559 - 3306 N-ACETYLSERINE 146.0453 127.2 - 3307 URIDINE 5'-DIPHOSPHATE 402.9944 172.9 C00015 3308 URIDINE 5'-DIPHOSPHATE 421.0049 C00015 3309 URIDINE 5'-DIPHOSPHATE 424.9763 178.6 C00015 3310 BETA-GLYCEROPHOSPHATE 171.0058 126.3 C02979 3311 BETA-GLYCEROPHOSPHATE 189.0164 C02979 3312 BETA-GLYCEROPHOSPHATE 192.9878 147.2 C02979 3313 GLUCOSE 1-PHOSPHATE 259.0219 148.7 C00103 3314 GLUCOSE 1-PHOSPHATE 277.0325 C00103 3315 GLUCOSE 1-PHOSPHATE 281.0038 C00103 3316 GLUCOSAMINE 6-SULFATE 280.0103 C04132 3317 GLUCOSAMINE 6-SULFATE 276.0389 C04132 3318 GLUCOSAMINE 6-SULFATE 258.0284 149.4 C04132 3319 METHYGLUTARATE 145.0501 125.5 - 3320 METHYGLUTARATE 163.0606 - 3321 METHYGLUTARATE 167.032 - 3322 SORBATE 129.0552 - 3323 SORBATE 133.0266 - 3324 SORBATE 111.0446 - 3325 MONOETHYLMALONATE 131.0344 - 3326 MONOETHYLMALONATE 149.045 - 3327 MONOETHYLMALONATE 153.0164 - 3328 GLUCONOLACTONE 199.0219 C00198 3329 GLUCONOLACTONE 199.0219 C00198 3330 GLUCONOLACTONE 177.0399 C00198 3331 GLUCONOLACTONE 177.0399 C00198 3332 GLUCONOLACTONE 195.0505 132.5 C00198 3333 GLUCONOLACTONE 195.0505 132.5 C00198 3334 4-HYDROXYBENZOATE 137.0239 121.2 C00156 3335 4-HYDROXYBENZOATE 155.0344 C00156 3336 4-HYDROXYBENZOATE 159.0058 C00156 3337 TYRAMINE 154.0868 C00483 3338 TYRAMINE 136.0762 C00483 3339 TYRAMINE 158.0582 C00483 3340 CORTISOL 383.1834 C00735 3341 CORTISOL 361.2015 191.9 C00735 3342 CORTISOL 379.2121 C00735 3343 PRENOL 107.0473 C01390 3344 PRENOL 85.0653 C01390 3345 PRENOL 103.0759 C01390 3346 3-HYDROXYBENZALDEHYDE 139.0395 C03067 3347 3-HYDROXYBENZALDEHYDE 121.029 118 C03067 3348 3-HYDROXYBENZALDEHYDE 143.0109 C03067 3349 XANTHURENATE 226.0116 C02470 3350 XANTHURENATE 204.0297 134.3 C02470 3351 XANTHURENATE 222.0402 C02470 3352 2-METHYLPROPANAL 71.0497 C03219 3353 2-METHYLPROPANAL 89.0603 C03219 3354 2-METHYLPROPANAL 93.0316 C03219 3355 PROPIONATE 73.029 C00163 3356 PROPIONATE 91.0395 C00163 3357 PROPIONATE 95.0109 C00163 3358 TRIMETHYLAMINE 76.0762 C00565 3359 TRIMETHYLAMINE 80.0476 C00565 3360 TRIMETHYLAMINE 58.0657 C00565 3361 MELATONIN 231.1134 155.7 C01598 3362 MELATONIN 249.1239 C01598 3363 MELATONIN 253.0953 C01598 3364 MALEATE 115.0031 111.8 C01384 3365 MALEATE 133.0137 C01384 3366 MALEATE 136.9851 C01384 3367 PENTANOATE 119.0708 C00803 3368 PENTANOATE 101.0603 C00803 3369 PENTANOATE 123.0422 C00803 3370 PROPANOATE 95.0109 C00163 3371 PROPANOATE 91.0395 C00163 3372 PROPANOATE 73.029 C00163 3373 BILIRUBIN 601.2662 C00486 3374 BILIRUBIN 583.2557 C00486 3375 BILIRUBIN 605.2376 C00486 3376 NICOTINE 182.082 C16150 3377 NICOTINE 160.1 C16150 3378 NICOTINE 178.1106 C16150 3379 PREGNENOLONE SULFATE 395.1892 206.2 - 3380 PREGNENOLONE SULFATE 413.1998 - 3381 PREGNENOLONE SULFATE 417.1712 - 3382 KYNURENATE 188.0348 133.9 C01717 3383 KYNURENATE 206.0453 C01717 3384 KYNURENATE 210.0167 C01717 3385 ISOBUTYRATE 105.0552 C02632 3386 ISOBUTYRATE 109.0266 C02632 3387 ISOBUTYRATE 87.0446 C02632 3388 3-HYDROXYBENZYL ALCOHOL 123.0446 122.3 C03351 3389 3-HYDROXYBENZYL ALCOHOL 141.0552 C03351 3390 3-HYDROXYBENZYL ALCOHOL 145.0266 C03351 3391 ANILINE 92.05 C00292 3392 ANILINE 110.0606 C00292 3393 ANILINE 114.032 C00292 3394 ACETOIN 105.0552 C00466 3395 ACETOIN 87.0446 C00466 3396 ACETOIN 109.0266 C00466 3397 3,5-DIIODO-L-TYROSINE 453.8413 C01060 3398 3,5-DIIODO-L-TYROSINE 431.8594 159.3 C01060 3399 3,5-DIIODO-L-TYROSINE 449.8699 C01060 3400 MANDELATE 151.0395 130.2 C01984 3401 MANDELATE 169.0501 C01984 3402 MANDELATE 173.0215 C01984 3403 TRYPTAMINE 177.1028 C00398 3404 TRYPTAMINE 159.0922 C00398 3405 TRYPTAMINE 181.0742 C00398 3406 BENZOATE 143.0109 C00180 3407 BENZOATE 143.0109 C00180 3408 BENZOATE 121.029 C00180 3409 BENZOATE 121.029 C00180 3410 BENZOATE 139.0395 C00180 3411 BENZOATE 139.0395 C00180 3412 GLUTARATE 131.0344 121.3 C00489 3413 GLUTARATE 131.0344 121.3 C00489 3414 GLUTARATE 149.045 C00489 3415 GLUTARATE 149.045 C00489 3416 GLUTARATE 153.0164 129.1 C00489 3417 GLUTARATE 153.0164 129.1 C00489 3418 INDOLE-3-ACETATE 174.0555 C00954 3419 INDOLE-3-ACETATE 174.0555 C00954 3420 INDOLE-3-ACETATE 192.0661 C00954 3421 INDOLE-3-ACETATE 192.0661 C00954 3422 INDOLE-3-ACETATE 196.0374 C00954 3423 INDOLE-3-ACETATE 196.0374 C00954 3424 CAFFEATE 197.045 C01481 3425 CAFFEATE 179.0344 132.8 C01481 3426 CAFFEATE 201.0164 C01481 3427 LUMICHROME 263.0545 C01727 3428 LUMICHROME 259.0831 160.2 C01727 3429 LUMICHROME 241.0726 155.1 C01727 3430 BETA-ALANINE 88.0399 C00099 3431 BETA-ALANINE 106.0504 C00099 3432 BETA-ALANINE 110.0218 C00099 3433 N-ACETYLPHENYLALANINE 224.0923 C03519 3434 N-ACETYLPHENYLALANINE 228.0637 C03519 3435 N-ACETYLPHENYLALANINE 206.0817 146.9 C03519 3436 N-ACETYLPROLINE 156.0661 133.7 - 3437 N-ACETYLPROLINE 174.0766 - 3438 N-ACETYLPROLINE 178.048 - 3439 L-TRYPTOPHANAMIDE 224.08 C00977 3440 L-TRYPTOPHANAMIDE 220.1086 C00977 3441 L-TRYPTOPHANAMIDE 202.098 143.3 C00977 3442 PHENOL 111.0446 C00146 3443 PHENOL 115.016 C00146 3444 PHENOL 93.034 C00146 3445 N-METHYLTRYPTAMINE 195.0898 C06213 3446 N-METHYLTRYPTAMINE 173.1079 C06213 3447 N-METHYLTRYPTAMINE 191.1184 C06213 3448 OXALOACETATE 130.998 C00036 3449 OXALOACETATE 149.0086 C00036 3450 OXALOACETATE 152.98 C00036 3451 2,3-DIHYDROXYBENZOATE 153.0188 120.6 C00196 3452 2,3-DIHYDROXYBENZOATE 175.0007 C00196 3453 2,3-DIHYDROXYBENZOATE 171.0293 C00196 3454 2-PROPENOATE 92.9953 C00511 3455 2-PROPENOATE 89.0239 C00511 3456 2-PROPENOATE 71.0133 C00511 3457 INDOLE-3-ETHANOL 160.0762 132.6 C00955 3458 INDOLE-3-ETHANOL 178.0868 C00955 3459 INDOLE-3-ETHANOL 182.0582 C00955 3460 FERULATE 211.0606 C01494 3461 FERULATE 215.032 C01494 3462 FERULATE 193.0501 139.8 C01494 3463 GLYCOCHOLATE 486.2832 C01921 3464 GLYCOCHOLATE 464.3012 202.2 C01921 3465 GLYCOCHOLATE 482.3118 C01921 3466 PHENYLETHANOLAMINE 158.0582 C02735 3467 PHENYLETHANOLAMINE 154.0868 C02735 3468 PHENYLETHANOLAMINE 136.0762 C02735 3469 THIOPURINE S-METHYLETHER 183.0341 C16614 3470 THIOPURINE S-METHYLETHER 187.0054 C16614 3471 THIOPURINE S-METHYLETHER 165.0235 127.7 C16614 3472 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 171.0092 - 3473 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 149.0272 129.5 - 3474 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 167.0378 - 3475 GLYCOCHENODEOXYCHOLATE 448.3063 200.7 C05466 3476 GLYCOCHENODEOXYCHOLATE 466.3169 C05466 3477 GLYCOCHENODEOXYCHOLATE 470.2882 C05466 3478 BENZOATE 121.029 C00180 3479 BENZOATE 121.029 C00180 3480 BENZOATE 139.0395 C00180 3481 BENZOATE 139.0395 C00180 3482 BENZOATE 143.0109 C00180 3483 BENZOATE 143.0109 C00180 3484 3-AMINO-5-HYDROXYBENZOATE 170.0453 C12107 3485 3-AMINO-5-HYDROXYBENZOATE 174.0167 C12107 3486 3-AMINO-5-HYDROXYBENZOATE 152.0348 C12107 3487 PYROCATECHOL 109.029 114.5 C00090 3488 PYROCATECHOL 127.0395 C00090 3489 PYROCATECHOL 131.0109 C00090 3490 3,4-DIHYDROXYBENZOATE 153.0188 122.5 C00230 3491 3,4-DIHYDROXYBENZOATE 171.0293 C00230 3492 3,4-DIHYDROXYBENZOATE 175.0007 C00230 3493 CYCLOPENTANONE 101.0603 C00557 3494 CYCLOPENTANONE 83.0497 C00557 3495 CYCLOPENTANONE 105.0316 C00557 3496 PANTOLACTONE 147.0657 C01012 3497 PANTOLACTONE 151.0371 C01012 3498 PANTOLACTONE 129.0552 C01012 3499 GUAIACOL 141.0552 C01502 3500 GUAIACOL 145.0266 C01502 3501 GUAIACOL 123.0446 C01502 3502 2-HYDROXYPHENYLACETATE 151.0395 130.1 C05852¬† 3503 2-HYDROXYPHENYLACETATE 169.0501 C05852¬† 3504 2-HYDROXYPHENYLACETATE 173.0215 C05852¬† 3505 10-HYDROXYDECANOATE 187.1334 144.3 C02774 3506 10-HYDROXYDECANOATE 205.144 C02774 3507 10-HYDROXYDECANOATE 209.1154 C02774 3508 DIDECANOYL-GLYCEROPHOSPHOCHOLINE 582.3771 - 3509 DIDECANOYL-GLYCEROPHOSPHOCHOLINE 564.3665 - 3510 DIDECANOYL-GLYCEROPHOSPHOCHOLINE 586.3485 - 3511 2-HYDROXYPYRIDINE 116.0112 C02502 3512 2-HYDROXYPYRIDINE 94.0293 C02502 3513 2-HYDROXYPYRIDINE 112.0399 C02502 3514 3,4-DIHYDROXYPHENYLACETATE 167.0344 C01161 3515 3,4-DIHYDROXYPHENYLACETATE 185.045 C01161 3516 3,4-DIHYDROXYPHENYLACETATE 189.0164 139.9 C01161 3517 N6-(DELTA2-ISOPENTENYL)-ADENINE 220.1198 C04083 3518 N6-(DELTA2-ISOPENTENYL)-ADENINE 202.1093 150.5 C04083 3519 N6-(DELTA2-ISOPENTENYL)-ADENINE 224.0912 C04083 3520 METHYL VANILLATE 203.032 - 3521 METHYL VANILLATE 181.0501 - 3522 METHYL VANILLATE 199.0606 - 3523 2-OXOBUTANOATE 123.0058 C00109 3524 2-OXOBUTANOATE 101.0239 C00109 3525 2-OXOBUTANOATE 119.0344 C00109 3526 LIPOAMIDE 222.0622 C00248 3527 LIPOAMIDE 204.0517 C00248 3528 LIPOAMIDE 226.0336 C00248 3529 3-HYDROXYANTHRANILATE 174.0167 C00632 3530 3-HYDROXYANTHRANILATE 152.0348 127.8 C00632 3531 3-HYDROXYANTHRANILATE 170.0453 C00632 3532 3-(4-HYDROXYPHENYL)PYRUVATE 179.0344 C01179 3533 3-(4-HYDROXYPHENYL)PYRUVATE 197.045 C01179 3534 3-(4-HYDROXYPHENYL)PYRUVATE 201.0164 C01179 3535 HEXANOATE 115.0759 C01585 3536 HEXANOATE 137.0579 C01585 3537 HEXANOATE 133.0865 C01585 3538 METHYLMALONATE 139.0007 C02170 3539 METHYLMALONATE 135.0293 C02170 3540 METHYLMALONATE 117.0188 C02170 3541 SEROTONIN 175.0871 C00780 3542 SEROTONIN 175.0871 C00780 3543 SEROTONIN 193.0977 C00780 3544 SEROTONIN 193.0977 C00780 3545 SEROTONIN 197.0691 C00780 3546 SEROTONIN 197.0691 C00780 3547 CORTISOL 21-ACETATE 421.2226 C02821 3548 CORTISOL 21-ACETATE 403.2121 196.3 C02821 3549 CORTISOL 21-ACETATE 425.194 C02821 3550 INDOLE-3-ACETAMIDE 195.0534 C02693 3551 INDOLE-3-ACETAMIDE 173.0715 135.5 C02693 3552 INDOLE-3-ACETAMIDE 191.0821 C02693 3553 HIPPURATE 200.0324 C01586 3554 HIPPURATE 178.0504 142 C01586 3555 HIPPURATE 196.061 C01586 3556 ETHYLMALONATE 131.0344 - 3557 ETHYLMALONATE 149.045 - 3558 ETHYLMALONATE 153.0164 - 3559 3,5-DIIODO-L-THYRONINE 545.8675 - 3560 3,5-DIIODO-L-THYRONINE 541.8961 - 3561 3,5-DIIODO-L-THYRONINE 523.8856 188.2 - 3562 FUMARATE 115.0031 116.9 C00122 3563 FUMARATE 133.0137 C00122 3564 FUMARATE 136.9851 C00122 3565 BENZALDEHYDE 105.034 C00261 3566 BENZALDEHYDE 123.0446 C00261 3567 BENZALDEHYDE 127.016 C00261 3568 4-HYDROXYBENZALDEHYDE 139.0395 C00633 3569 4-HYDROXYBENZALDEHYDE 121.029 118.2 C00633 3570 4-HYDROXYBENZALDEHYDE 143.0109 C00633 3571 3-(2-HYDROXYPHENYL)PROPANOATE 187.0371 C01198 3572 3-(2-HYDROXYPHENYL)PROPANOATE 165.0552 133.2 C01198 3573 3-(2-HYDROXYPHENYL)PROPANOATE 183.0657 C01198 3574 3-METHOXYTYRAMINE 166.0868 C05587 3575 3-METHOXYTYRAMINE 184.0974 C05587 3576 3-METHOXYTYRAMINE 188.0687 C05587 3577 BENZYLAMINE 124.0762 C15562 3578 BENZYLAMINE 106.0657 C15562 3579 BENZYLAMINE 128.0476 C15562 3580 2-QUINOLINECARBOXYLATE 194.0218 C06325 3581 2-QUINOLINECARBOXYLATE 172.0399 C06325 3582 2-QUINOLINECARBOXYLATE 190.0504 C06325 3583 SEROTONIN 197.0691 C00780 3584 SEROTONIN 197.0691 C00780 3585 SEROTONIN 175.0871 C00780 3586 SEROTONIN 175.0871 C00780 3587 SEROTONIN 193.0977 C00780 3588 SEROTONIN 193.0977 C00780 3589 PTERIN 184.0235 C00715 3590 PTERIN 162.0416 128.1 C00715 3591 PTERIN 180.0521 C00715 3592 4-AMINOBENZOATE 136.0399 C00568 3593 4-AMINOBENZOATE 154.0504 C00568 3594 4-AMINOBENZOATE 158.0218 C00568 3595 2-AMINOPHENOL 108.0449 118 C01987 3596 2-AMINOPHENOL 126.0555 C01987 3597 2-AMINOPHENOL 130.0269 C01987 3598 6-CARBOXYHEXANOATE 177.0763 C02656 3599 6-CARBOXYHEXANOATE 181.0477 134.4 C02656 3600 6-CARBOXYHEXANOATE 159.0657 130.9 C02656 3601 INDOLE-3-PYRUVATE 202.0504 137.6 C00331 3602 INDOLE-3-PYRUVATE 220.061 C00331 3603 INDOLE-3-PYRUVATE 224.0324 C00331 3604 DEHYDROASCORBATE 347.0251 C00425 3605 DEHYDROASCORBATE 347.0251 - 3606 DEHYDROASCORBATE 365.0356 C00425 3607 DEHYDROASCORBATE 365.0356 - 3608 DEHYDROASCORBATE 369.007 C00425 3609 DEHYDROASCORBATE 369.007 - 3610 3-AMINO-4-HYDROXYBENZOATE 174.0167 C12115 3611 3-AMINO-4-HYDROXYBENZOATE 152.0348 125.7 C12115 3612 3-AMINO-4-HYDROXYBENZOATE 170.0453 C12115 3613 3,4 DIHYDROXYMANDELATE 205.0113 C05580 3614 3,4 DIHYDROXYMANDELATE 201.0399 C05580 3615 3,4 DIHYDROXYMANDELATE 183.0293 137.4 C05580 3616 ANTHRANILATE 154.0504 C00108 3617 ANTHRANILATE 158.0218 C00108 3618 ANTHRANILATE 136.0399 125.5 C00108 3619 DIHYDROBIOPTERIN 236.0784 150.7 C02953 3620 DIHYDROBIOPTERIN 254.0889 C02953 3621 DIHYDROBIOPTERIN 258.0603 C02953 3622 BUTANOATE 87.0446 C00246 3623 BUTANOATE 105.0552 C00246 3624 BUTANOATE 109.0266 C00246 3625 INDOLE-3-ACETATE 196.0374 C00954 3626 INDOLE-3-ACETATE 196.0374 C00954 3627 INDOLE-3-ACETATE 192.0661 C00954 3628 INDOLE-3-ACETATE 192.0661 C00954 3629 INDOLE-3-ACETATE 174.0555 C00954 3630 INDOLE-3-ACETATE 174.0555 C00954 3631 5-VALEROLACTONE 121.0266 C02240 3632 5-VALEROLACTONE 99.0446 C02240 3633 5-VALEROLACTONE 117.0552 C02240 3634 2,5-DIHYDROXYBENZOATE 153.0187841 124.5724877 C00628 3635 2,5-DIHYDROXYBENZOATE 171.0293473 C00628 3636 2,5-DIHYDROXYBENZOATE 175.0007295 C00628 3637 4-QUINOLINECARBOXYLATE 190.0504176 C06414 3638 4-QUINOLINECARBOXYLATE 172.0398544 134.2816122 C06414 3639 4-QUINOLINECARBOXYLATE 194.0217998 C06414 3640 HYDROQUINONE 131.0109002 C00530 3641 HYDROQUINONE 109.0289548 C00530 3642 HYDROQUINONE 127.039518 C00530 3643 DETHIOBIOTIN 235.1058633 148.810395 C01909 3644 DETHIOBIOTIN 213.1239179 152.4776813 C01909 3645 DETHIOBIOTIN 231.1344811 C01909 3646 3-METHYL-2-OXOVALERATE 147.0657328 C03465 3647 3-METHYL-2-OXOVALERATE 129.0551696 127.0753758 C03465 3648 3-METHYL-2-OXOVALERATE 151.037115 C03465 3649 OXOGLUTARATE 166.9956441 C00026 3650 OXOGLUTARATE 145.0136987 120.9222083 C00026 3651 OXOGLUTARATE 163.0242619 C00026 3652 N-ACETYLSEROTONIN 217.0977031 150.5021283 C00978 3653 N-ACETYLSEROTONIN 235.1082663 C00978 3654 N-ACETYLSEROTONIN 239.0796485 C00978 3655 ALLYL ISOTHIOCYANATE 98.0064464 C19317 3656 ALLYL ISOTHIOCYANATE 119.9883918 C19317 3657 ALLYL ISOTHIOCYANATE 116.0170096 C19317 3658 ITACONATE 151.0007295 C00490 3659 ITACONATE 147.0293473 C00490 3660 ITACONATE 129.0187841 118.7134896 C00490 3661 AZELATE 187.0970344 139.8754584 C08261 3662 AZELATE 205.1075976 C08261 3663 AZELATE 209.0789798 141.9004632 C08261 3664 OXOADIPATE 177.0399136 C00322 3665 OXOADIPATE 159.0293504 126.5346117 C00322 3666 OXOADIPATE 181.0112958 132.2429691 C00322 3667 2-METHYLGLUTARATE 167.0320296 132.6398815 - 3668 2-METHYLGLUTARATE 145.0500842 125.9530019 - 3669 2-METHYLGLUTARATE 163.0606474 - 3670 PHENYLACETALDEHYDE 141.0316357 C00601 3671 PHENYLACETALDEHYDE 119.0496903 C00601 3672 PHENYLACETALDEHYDE 137.0602535 C00601 3673 2-METHYLBUTANAL 103.0759035 C02223 3674 2-METHYLBUTANAL 85.06534034 C02223 3675 2-METHYLBUTANAL 107.0472857 C02223 3676 PHENYL ACETATE 157.0265503 C00548 3677 PHENYL ACETATE 135.0446049 C00548 3678 PHENYL ACETATE 153.0551681 C00548 3679 DIACETYL 85.02895484 C00741 3680 DIACETYL 103.039518 C00741 3681 DIACETYL 107.0109002 C00741 3682 PYRUVATE 87.00821939 C00022 3683 PYRUVATE 105.0187826 C00022 3684 PYRUVATE 108.9901648 C00022 3685 TRANS-CINNAMALDEHYDE 149.0602535 C00903 3686 TRANS-CINNAMALDEHYDE 153.0316357 C00903 3687 TRANS-CINNAMALDEHYDE 131.0496903 C00903 3688 2,6-DIHYDROXYPYRIDINE 110.0242044 113.7550086 C03056 3689 2,6-DIHYDROXYPYRIDINE 128.0347676 C03056 3690 2,6-DIHYDROXYPYRIDINE 132.0061498 C03056 3691 PHENETHYLAMINE 120.0813248 C05332 3692 PHENETHYLAMINE 138.091888 C05332 3693 PHENETHYLAMINE 142.0632702 C05332 3694 METHYL ACETOACETATE 133.0500827 - 3695 METHYL ACETOACETATE 115.0395195 - 3696 METHYL ACETOACETATE 137.0214649 - 3697 SUBERATE 191.0919475 C08278 3698 SUBERATE 195.0633297 137.4172995 C08278 3699 SUBERATE 173.0813843 135.6966873 C08278 3700 ADIPATE 163.0606474 C06104¬† 3701 ADIPATE 167.0320296 132.0075861 C06104¬† 3702 ADIPATE 145.0500842 127.0981721 C06104¬† 3703 GERANYL-PP 313.0606014 167.1579304 C00341 3704 GERANYL-PP 331.0711646 C00341 3705 GERANYL-PP 335.0425468 173.813287 C00341 3706 N-ACETYLLEUCINE 172.0973688 140.482834 C02710 3707 N-ACETYLLEUCINE 190.107932 C02710 3708 N-ACETYLLEUCINE 194.0793142 C02710 3709 2',4'-DIHYDROXYACETOPHENONE 169.0500827 C03663 3710 2',4'-DIHYDROXYACETOPHENONE 151.0395195 126.2649132 C03663 3711 2',4'-DIHYDROXYACETOPHENONE 173.0214649 C03663 3712 BENZYL ALCOHOL 129.0316357 C00556 3713 BENZYL ALCOHOL 107.0496903 C00556 3714 BENZYL ALCOHOL 125.0602535 C00556 3715 MONOMETHYLGLUTARATE 145.0500854 - 3716 MONOMETHYLGLUTARATE 163.0606486 - 3717 MONOMETHYLGLUTARATE 167.0320308 - 3718 INDOLE-3-METHYL ACETATE 206.0817172 - 3719 INDOLE-3-METHYL ACETATE 188.071154 141.1087611 - 3720 INDOLE-3-METHYL ACETATE 210.0530994 - 3721 MEVALONATE 169.0476808 C00418 3722 MEVALONATE 147.0657354 128.6595803 C00418 3723 MEVALONATE 165.0762986 C00418 3724 3-METHOXY-4-HYDROXYMANDELATE 219.0269442 C05584 3725 3-METHOXY-4-HYDROXYMANDELATE 197.0449988 143.4536808 C05584 3726 3-METHOXY-4-HYDROXYMANDELATE 215.055562 C05584 3727 HOMOVANILLATE 199.0606474 C05582 3728 HOMOVANILLATE 181.0500842 135.9875478 C05582 3729 HOMOVANILLATE 203.0320296 C05582 3730 2-METHYLMALEATE 151.0007308 C02226 3731 2-METHYLMALEATE 129.0187854 118.1756481 C02226 3732 2-METHYLMALEATE 147.0293486 C02226 3733 1-PHENYLETHANOL 121.0653403 C07112 3734 1-PHENYLETHANOL 139.0759035 C07112 3735 1-PHENYLETHANOL 143.0472857 C07112 3736 SALSOLINOL 178.0868044 139.4436922 C09642 3737 SALSOLINOL 200.0687498 C09642 3738 SALSOLINOL 196.0973676 C09642 3739 SALICYLAMIDE 158.0217993 - 3740 SALICYLAMIDE 154.0504171 - 3741 SALICYLAMIDE 136.0398539 121.1109826 - 3742 3-HYDROXYBENZOATE 137.0238695 C00587 3743 3-HYDROXYBENZOATE 155.0344327 C00587 3744 3-HYDROXYBENZOATE 159.0058149 C00587 3745 KETOLEUCINE 147.0657328 C00233 3746 KETOLEUCINE 147.0657328 C00233 3747 KETOLEUCINE 129.0551696 C00233 3748 KETOLEUCINE 129.0551696 C00233 3749 KETOLEUCINE 151.037115 C00233 3750 KETOLEUCINE 151.037115 C00233 3751 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE 3,21-DIACETATE 387.2147458 C05472 3752 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE 3,21-DIACETATE 365.2328004 C05472 3753 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE 3,21-DIACETATE 383.2433636 C05472 3754 N,N-DIMETHYL-1,4-PHENYLENEDIAMINE 135.0922234 C04203 3755 N,N-DIMETHYL-1,4-PHENYLENEDIAMINE 153.1027866 C04203 3756 N,N-DIMETHYL-1,4-PHENYLENEDIAMINE 157.0741688 C04203 3757 HOMOGENTISATE 185.0449973 C00544 3758 HOMOGENTISATE 189.0163795 C00544 3759 HOMOGENTISATE 167.0344341 132.4026428 C00544 3760 INDOLEACETALDEHYDE 158.0605893 130.7192663 C00637 3761 INDOLEACETALDEHYDE 176.0711525 C00637 3762 INDOLEACETALDEHYDE 180.0425347 C00637 3763 4-HYDROXY-3-METHOXYPHENYLGLYCOL 183.0657354 C05594 3764 4-HYDROXY-3-METHOXYPHENYLGLYCOL 201.0762986 C05594 3765 4-HYDROXY-3-METHOXYPHENYLGLYCOL 205.0476808 C05594 3766 3-HYDROXYPHENYLACETATE 169.0500827 C05593 3767 3-HYDROXYPHENYLACETATE 151.0395195 C05593 3768 3-HYDROXYPHENYLACETATE 173.0214649 C05593 3769 4-METHYLCATECHOL 145.0265503 C06730 3770 4-METHYLCATECHOL 141.0551681 C06730 3771 4-METHYLCATECHOL 123.0446049 121.0364102 C06730 3772 PYRIDOXAL 166.0504186 128.9798973 C00250 3773 PYRIDOXAL 184.0609818 C00250 3774 PYRIDOXAL 188.032364 C00250 3775 SALICYLATE 155.0344327 C00805 3776 SALICYLATE 159.0058149 C00805 3777 SALICYLATE 137.0238695 119.7791943 C00805 3778 SEBACATE 201.1126854 144.0276159 C08277 3779 SEBACATE 219.1232486 C08277 3780 SEBACATE 223.0946308 145.9770946 C08277 3781 3-METHYL-2-OXINDOLE 168.0425348 - 3782 3-METHYL-2-OXINDOLE 164.0711526 - 3783 3-METHYL-2-OXINDOLE 146.0605894 - 3784 3-METHYLADENINE 166.0728838 C00913 3785 3-METHYLADENINE 170.044266 C00913 3786 3-METHYLADENINE 148.0623206 C00913 3787 HYDROXYPHENYLLACTATE 203.0320296 C03672 3788 HYDROXYPHENYLLACTATE 181.0500842 141.9083484 C03672 3789 HYDROXYPHENYLLACTATE 199.0606474 C03672 3790 BIOTIN 243.0803385 155.3989499 C00120 3791 BIOTIN 261.0909017 C00120 3792 BIOTIN 265.0622839 152.8860882 C00120 3793 MERCAPTOPYRUVATE 118.9802901 C00957 3794 MERCAPTOPYRUVATE 140.9622355 C00957 3795 MERCAPTOPYRUVATE 136.9908533 C00957 3796 PYRUVIC ALDEHYDE 92.99525017 C00546 3797 PYRUVIC ALDEHYDE 89.02386797 C00546 3798 PYRUVIC ALDEHYDE 71.01330477 C00546 3799 PYRROLE-2-CARBOXYLATE 110.0242038 113.7548593 C05942 3800 PYRROLE-2-CARBOXYLATE 128.034767 C05942 3801 PYRROLE-2-CARBOXYLATE 132.0061492 C05942 3802 5-HYDROXYINDOLEACETATE 208.0609818 C05635 3803 5-HYDROXYINDOLEACETATE 212.032364 C05635 3804 5-HYDROXYINDOLEACETATE 190.0504186 137.1485009 C05635 3805 PHENYLACETATE 157.0265503 C07086 3806 PHENYLACETATE 135.0446049 C07086 3807 PHENYLACETATE 153.0551681 C07086 3808 RESORCINOL MONOACETATE 173.0214658 C12064 3809 RESORCINOL MONOACETATE 169.0500836 C12064 3810 RESORCINOL MONOACETATE 151.0395204 126.1056704 C12064 3811 ACETOACETATE 119.0344327 C00164 3812 ACETOACETATE 123.0058149 C00164 3813 ACETOACETATE 101.0238695 C00164 3814 ACETYLPHOSPHATE 160.9615806 C00227 3815 ACETYLPHOSPHATE 138.9796352 C00227 3816 ACETYLPHOSPHATE 156.9901984 C00227 3817 ETHYL 3-INDOLEACETATE 202.0868044 145.5981562 - 3818 ETHYL 3-INDOLEACETATE 220.0973676 - 3819 ETHYL 3-INDOLEACETATE 224.0687498 - 3820 DEHYDROASCORBATE 194.9905587 C00425 3821 DEHYDROASCORBATE 194.9905587 - 3822 DEHYDROASCORBATE 173.0086133 127.7903996 C00425 3823 DEHYDROASCORBATE 173.0086133 127.7903996 - 3824 DEHYDROASCORBATE 191.0191765 C00425 3825 DEHYDROASCORBATE 191.0191765 - 3826 FRUCTOSE 197.0661267 C02336 3827 FRUCTOSE 201.0375089 C02336 3828 FRUCTOSE 179.0555635 C02336 3829 SORBOSE 179.0555635 C00247 3830 SORBOSE 197.0661267 C00247 3831 SORBOSE 201.0375089 C00247 3832 XYLITOL 151.0606489 124.8035507 C00379 3833 XYLITOL 169.0712121 C00379 3834 XYLITOL 173.0425943 C00379 3835 RIBITOL 169.0712121 C00474 3836 RIBITOL 151.0606489 125.785804 C00474 3837 RIBITOL 173.0425943 C00474 3838 MYOINOSITOL 201.0375089 C00137 3839 MYOINOSITOL 197.0661267 C00137 3840 MYOINOSITOL 179.0555635 131.3172592 C00137 3841 MANNOSE 197.0661267 C00159 3842 MANNOSE 179.0555635 C00159 3843 MANNOSE 201.0375089 C00159 3844 ARABINOSE 171.0269442 C00259 3845 ARABINOSE 171.0269442 C00216 3846 ARABINOSE 149.0449988 C00259 3847 ARABINOSE 149.0449988 C00216 3848 ARABINOSE 167.055562 C00259 3849 ARABINOSE 167.055562 C00216 3850 XYLOSE 171.0269442 C00181 3851 XYLOSE 149.0449988 C00181 3852 XYLOSE 167.055562 C00181 3853 SUCROSE 341.1083869 168.165123 C00089 3854 SUCROSE 363.0903323 C00089 3855 SUCROSE 359.1189501 C00089 3856 GALACTOSE 179.0555635 C00984 3857 GALACTOSE 197.0661267 C00984 3858 GALACTOSE 201.0375089 C00984 3859 ALPHA-D-GLUCOSE 197.0661267 C00267 3860 ALPHA-D-GLUCOSE 201.0375089 C00267 3861 ALPHA-D-GLUCOSE 179.0555635 C00267 3862 ALLOSE 179.0555635 C01487 3863 ALLOSE 197.0661267 C01487 3864 ALLOSE 201.0375089 C01487 3865 MANNITOL 181.0712136 131.558875 C00392 3866 MANNITOL 199.0817768 C00392 3867 MANNITOL 203.053159 C00392 3868 MELIBIOSE 341.1083869 178.0562683 C05402 3869 MELIBIOSE 359.1189501 C05402 3870 MELIBIOSE 363.0903323 C05402 3871 SORBITOL 203.053159 C00749 3872 SORBITOL 181.0712136 131.4017141 C00749 3873 SORBITOL 199.0817768 C00749 3874 MALTOSE 341.1083869 180.1106093 C00208 3875 MALTOSE 359.1189501 C00208 3876 MALTOSE 363.0903323 C00208 3877 TAGATOSE 197.0661267 C00795 3878 TAGATOSE 201.0375089 C00795 3879 TAGATOSE 179.0555635 C00795 3880 L-GULONOLACTONE 177.0399135 129.5815808 C01040 3881 L-GULONOLACTONE 195.0504767 133.4809648 C01040 3882 L-GULONOLACTONE 199.0218589 C01040 3883 ARABINOSE 149.0449988 C00259 3884 ARABINOSE 149.0449988 C00216 3885 ARABINOSE 167.055562 C00259 3886 ARABINOSE 167.055562 C00216 3887 ARABINOSE 171.0269442 C00259 3888 ARABINOSE 171.0269442 C00216 3889 CELLOBIOSE 341.1083869 179.7047913 C06422 3890 CELLOBIOSE 359.1189501 C06422 3891 CELLOBIOSE 363.0903323 C06422 3892 PSICOSE 197.0661286 C06468 3893 PSICOSE 179.0555654 C06468 3894 PSICOSE 201.0375108 C06468 3895 ARABITOL 173.0425943 C00532 3896 ARABITOL 151.0606489 124.9362707 C00532 3897 ARABITOL 169.0712121 C00532 3898 LYXOSE 171.0269448 C00476 3899 LYXOSE 149.0449994 C00476 3900 LYXOSE 167.0555626 C00476 3901 RIBOSE 167.055562 C00121 3902 RIBOSE 149.0449988 C00121 3903 RIBOSE 171.0269442 C00121 3904 PALATINOSE 363.0903358 C01742 3905 PALATINOSE 341.1083904 177.8533444 C01742 3906 PALATINOSE 359.1189536 C01742 3907 VITAMIN D2 395.3313914 C05441 3908 VITAMIN D2 413.3419556 C05441 3909 VITAMIN D2 417.3133368 C05441 3910 SQUALENE 409.383427 C00751 3911 SQUALENE 427.3939912 C00751 3912 SQUALENE 431.3653724 C00751 3913 4-COUMARATE 181.0500837 C00811 3914 4-COUMARATE 185.0214649 C00811 3915 4-COUMARATE 163.0395195 131.0701414 C00811 3916 NONANOATE 157.1228552 C01601 3917 NONANOATE 175.1334194 C01601 3918 NONANOATE 179.1048006 C01601 3919 ESTRADIOL-17ALPHA 271.1698054 C02537 3920 ESTRADIOL-17ALPHA 289.1803696 C02537 3921 ESTRADIOL-17ALPHA 293.1517508 C02537 3922 CAPRYLATE 161.1177694 C06423 3923 CAPRYLATE 143.1072052 C06423 3924 CAPRYLATE 165.0891506 C06423 3925 URSODEOXYCHOLATE 413.2667808 C07880 3926 URSODEOXYCHOLATE 409.2953996 C07880 3927 URSODEOXYCHOLATE 391.2848354 200.8765846 C07880 3928 PETROSELINATE 299.258606 C08363 3929 PETROSELINATE 281.2480418 175.5998249 C08363 3930 PETROSELINATE 303.2299872 C08363 3931 DIPALMITOYLGLYCEROL 589.4807958 C00165 3932 DIPALMITOYLGLYCEROL 567.4988504 C00165 3933 DIPALMITOYLGLYCEROL 585.5094146 C00165 3934 DIPALMITOYLGLYCEROL 603.4755 C00165 3935 DEOXYCHOLATE 413.2667806 C04483 3936 DEOXYCHOLATE 413.2667806 C04483 3937 DEOXYCHOLATE 391.2848352 202.3160401 C04483 3938 DEOXYCHOLATE 391.2848352 202.3160401 C04483 3939 DEOXYCHOLATE 409.2953994 C04483 3940 DEOXYCHOLATE 409.2953994 C04483 3941 LITHOCHOLATE 375.2899205 203.134937 C03990 3942 LITHOCHOLATE 397.2718659 C03990 3943 LITHOCHOLATE 393.3004847 C03990 3944 PROTOPORPHYRIN 579.2607452 C02191 3945 PROTOPORPHYRIN 583.2321264 C02191 3946 PROTOPORPHYRIN 561.250181 C02191 3947 HEPTANOATE 151.0735005 C17714¬† 3948 HEPTANOATE 129.0915551 C17714¬† 3949 HEPTANOATE 147.1021193 C17714¬† 3950 RETINOL 285.221841 C00473 3951 RETINOL 307.2037864 C00473 3952 RETINOL 303.2324052 C00473 3953 MENAQUINONE 579.4202064 C00828 3954 MENAQUINONE 597.4307706 C00828 3955 MENAQUINONE 601.4021518 C00828 3956 ELAIDATE 299.2586199 C01712 3957 ELAIDATE 303.2300011 C01712 3958 ELAIDATE 281.2480557 175.957968 C01712 3959 CHENODEOXYCHOLATE 271.1698054 C02528 3960 CHENODEOXYCHOLATE 289.1803696 C02528 3961 CHENODEOXYCHOLATE 293.1517508 C02528 3962 MYRISTATE 227.2011055 C06424 3963 MYRISTATE 245.2116697 C06424 3964 MYRISTATE 249.1830509 C06424 3965 CHOLESTERYL OLEATE 649.5923571 C14641 3966 CHOLESTERYL OLEATE 667.6029213 C14641 3967 CHOLESTERYL OLEATE 671.5743025 C14641 3968 ROSMARINATE 381.0586383 C01850 3969 ROSMARINATE 377.0872571 C01850 3970 ROSMARINATE 359.0766929 172.6773965 C01850 3971 GLYCERYL TRIPALMITATE 823.7390805 - 3972 GLYCERYL TRIPALMITATE 827.7104617 - 3973 GLYCERYL TRIPALMITATE 805.7285163 - 3974 CORTEXOLONE 367.1885302 C05488 3975 CORTEXOLONE 345.2065848 C05488 3976 CORTEXOLONE 363.217149 C05488 3977 LITHOCHOLYLTAURINE 482.2940196 206.5578071 C02592 3978 LITHOCHOLYLTAURINE 504.275965 C02592 3979 LITHOCHOLYLTAURINE 500.3045838 C02592 3980 PALMITOLEATE 253.2167556 167.325113 C08362 3981 PALMITOLEATE 271.2273198 C08362 3982 PALMITOLEATE 275.198701 C08362 3983 PALMITATE 273.2429699 C00249 3984 PALMITATE 277.2143511 C00249 3985 PALMITATE 255.2324057 169.0068235 C00249 3986 LIOTHYRONINE 649.7822135 C02465 3987 LIOTHYRONINE 667.7927777 C02465 3988 LIOTHYRONINE 671.7641589 C02465 3989 SPHINGANINE 300.2902549 C00836 3990 SPHINGANINE 318.3008191 C00836 3991 SPHINGANINE 322.2722003 C00836 3992 LANOSTEROL 425.3783416 C01724 3993 LANOSTEROL 443.3889058 C01724 3994 LANOSTEROL 447.360287 C01724 3995 LAURATE 221.1517508 C02679 3996 LAURATE 199.1698054 C02679 3997 LAURATE 217.1803696 C02679 3998 ARACHIDATE 311.2950059 185.1205583 C06425 3999 ARACHIDATE 329.3055701 C06425 4000 ARACHIDATE 333.2769513 C06425 4001 ERUCATE 355.3212202 C08316 4002 ERUCATE 359.2926014 C08316 4003 ERUCATE 337.310656 C08316 4004 DEOXYCHOLATE 409.2953994 C04483 4005 DEOXYCHOLATE 409.2953994 C04483 4006 DEOXYCHOLATE 413.2667806 C04483 4007 DEOXYCHOLATE 413.2667806 C04483 4008 DEOXYCHOLATE 391.2848352 202.2150611 C04483 4009 DEOXYCHOLATE 391.2848352 202.2150611 C04483 4010 KETOLEUCINE 129.0551704 C00233 4011 KETOLEUCINE 129.0551704 C00233 4012 KETOLEUCINE 147.0657346 C00233 4013 KETOLEUCINE 147.0657346 C00233 4014 KETOLEUCINE 151.0371158 C00233 4015 KETOLEUCINE 151.0371158 C00233 4016 EICOSAPENTAENOATE 301.2167554 C06428 4017 EICOSAPENTAENOATE 319.2273196 C06428 4018 EICOSAPENTAENOATE 323.1987008 C06428 4019 HEPTADECANOATE 269.2480557 172.9290332 - 4020 HEPTADECANOATE 287.2586199 - 4021 HEPTADECANOATE 291.2300011 - 4022 GLYCERYL TRIMYRISTATE 721.6346159 - 4023 GLYCERYL TRIMYRISTATE 739.6451801 - 4024 GLYCERYL TRIMYRISTATE 743.6165613 - 4025 LINOLEATE 279.2324057 174.6591816 C01595 4026 LINOLEATE 297.2429699 C01595 4027 LINOLEATE 301.2143511 C01595 4028 SPHINGOMYELIN 730.5988753 C00550 4029 SPHINGOMYELIN 748.6094395 C00550 4030 SPHINGOMYELIN 752.5808207 C00550 4031 7-DEHYDROCHOLESTEROL 383.3313914 C01164 4032 7-DEHYDROCHOLESTEROL 401.3419556 C01164 4033 7-DEHYDROCHOLESTEROL 405.3133368 C01164 4034 THYROXINE 775.6788569 208.2518195 C01829 4035 THYROXINE 793.6894211 C01829 4036 THYROXINE 797.6608023 208.54891 C01829 4037 BIS(2-ETHYLHEXYL)PHTHALATE 389.2691854 C03690 4038 BIS(2-ETHYLHEXYL)PHTHALATE 407.2797496 202.983744 C03690 4039 BIS(2-ETHYLHEXYL)PHTHALATE 411.2511308 C03690 4040 GAMMA-LINOLENATE 277.2167556 174.7683009 C06426 4041 GAMMA-LINOLENATE 295.2273198 C06426 4042 GAMMA-LINOLENATE 299.198701 C06426 4043 OMEGA-HYDROXYDODECANOATE 215.16472 152.6082892 C08317 4044 OMEGA-HYDROXYDODECANOATE 233.1752842 C08317 4045 OMEGA-HYDROXYDODECANOATE 237.1466654 C08317 4046 METHYL JASMONATE 223.1334199 C11512 4047 METHYL JASMONATE 241.1439841 C11512 4048 METHYL JASMONATE 245.1153653 C11512 4049 DIPALMITOYL-PHOSPHATIDYLCHOLINE 732.5543324 C00157 4050 DIPALMITOYL-PHOSPHATIDYLCHOLINE 750.5648966 C00157 4051 DIPALMITOYL-PHOSPHATIDYLCHOLINE 754.5362778 C00157 4052 HEXADECANOL 241.2531411 C00823 4053 HEXADECANOL 259.2637053 C00823 4054 HEXADECANOL 263.2350865 C00823 4055 5,6 DIMETHYLBENZIMIDAZOLE 145.0765737 129.9360864 C03114 4056 5,6 DIMETHYLBENZIMIDAZOLE 163.0871379 C03114 4057 5,6 DIMETHYLBENZIMIDAZOLE 167.0585191 C03114 4058 RETINOATE 299.2011055 C00777 4059 RETINOATE 317.2116697 C00777 4060 RETINOATE 321.1830509 C00777 4061 INDOLE 116.0500246 C00463 4062 INDOLE 134.0605888 C00463 4063 INDOLE 138.03197 C00463 4064 CHOLATE 407.2797498 203.1350434 C00695 4065 CHOLATE 425.290314 C00695 4066 CHOLATE 429.2616952 C00695 4067 PHYLLOQUINONE 449.3419561 C02059 4068 PHYLLOQUINONE 467.3525203 C02059 4069 PHYLLOQUINONE 471.3239015 C02059 4070 CHOLESTERYL PALMITATE 623.5767071 C11251 4071 CHOLESTERYL PALMITATE 641.5872713 C11251 4072 CHOLESTERYL PALMITATE 645.5586525 C11251 4073 QUINOLINE 128.0500246 C06413 4074 QUINOLINE 146.0605888 C06413 4075 QUINOLINE 150.03197 C06413 4076 DOCOSAHEXAENOATE 327.2324057 C06429 4077 DOCOSAHEXAENOATE 345.2429699 C06429 4078 DOCOSAHEXAENOATE 349.2143511 C06429 4079 DIETHYL 2-METHYL-3-OXOSUCCINATE 201.076299 C04067 4080 DIETHYL 2-METHYL-3-OXOSUCCINATE 219.0868632 C04067 4081 DIETHYL 2-METHYL-3-OXOSUCCINATE 223.0582444 C04067 4082 RETINYL PALMITATE 523.4515066 C02588 4083 RETINYL PALMITATE 541.4620708 C02588 4084 RETINYL PALMITATE 545.433452 C02588 4085 2-UNDECANONE 169.1592404 C01875 4086 2-UNDECANONE 187.1698046 C01875 4087 2-UNDECANONE 191.1411858 C01875 4088 1-HYDROXY-2-NAPHTHOATE 187.0395204 C03203 4089 1-HYDROXY-2-NAPHTHOATE 205.0500846 C03203 4090 1-HYDROXY-2-NAPHTHOATE 209.0214658 C03203 4091 DIPALMITOYL-PHOSPHOETHANOLAMINE 690.5073803 262.2538946 C00350 4092 DIPALMITOYL-PHOSPHOETHANOLAMINE 708.5179445 C00350 4093 DIPALMITOYL-PHOSPHOETHANOLAMINE 712.4893257 C00350 4094 PHENYLPYRUVATE 163.0395195 C00166 4095 PHENYLPYRUVATE 181.0500837 C00166 4096 PHENYLPYRUVATE 185.0214649 C00166 4097 TRANS-CINNAMATE 147.0446049 C00423 4098 TRANS-CINNAMATE 165.0551691 C00423 4099 TRANS-CINNAMATE 169.0265503 C00423 4100 OLEATE 281.2480557 175.8044295 C00712 4101 OLEATE 299.2586199 C00712 4102 OLEATE 303.2300011 C00712 4103 STEARATE 283.2637058 177.0776569 C01530 4104 STEARATE 301.27427 C01530 4105 STEARATE 305.2456512 C01530 4106 BETA-CAROTENE 535.4303772 C02094 4107 BETA-CAROTENE 553.4409414 C02094 4108 BETA-CAROTENE 557.4123226 C02094 4109 25-HYDROXYCHOLESTEROL 401.3419561 C15519 4110 25-HYDROXYCHOLESTEROL 419.3525203 C15519 4111 25-HYDROXYCHOLESTEROL 423.3239015 C15519 4112 NERVONATE 365.3419561 197.4793754 C08323 4113 NERVONATE 383.3525203 C08323 4114 NERVONATE 387.3239015 C08323 4115 DESMOSTEROL 383.3313914 C01802 4116 DESMOSTEROL 401.3419556 C01802 4117 DESMOSTEROL 405.3133368 C01802 4118 DEOXYCORTICOSTERONE ACETATE 371.2222354 C14554 4119 DEOXYCORTICOSTERONE ACETATE 389.2327996 C14554 4120 DEOXYCORTICOSTERONE ACETATE 393.2041808 C14554 4121 OLEOYL-GLYCEROL 355.2848354 - 4122 OLEOYL-GLYCEROL 373.2953996 - 4123 OLEOYL-GLYCEROL 377.2667808 - 4124 ALPHA-TOCOPHEROL 429.3732562 C02477 4125 ALPHA-TOCOPHEROL 447.3838204 C02477 4126 ALPHA-TOCOPHEROL 451.3552016 C02477 4127 ALPHA-TOCOPHEROL 489.3944 C02477 4128 GLYCEROL-MYRISTATE 301.2378854 - 4129 GLYCEROL-MYRISTATE 319.2484496 - 4130 GLYCEROL-MYRISTATE 323.2198308 - 4131 TRICOSANOATE 353.3419561 196.8815938 - 4132 TRICOSANOATE 371.3525203 - 4133 TRICOSANOATE 375.3239015 - 4134 COENZYME Q10 861.6760854 C11378 4135 COENZYME Q10 879.6866496 C11378 4136 COENZYME Q10 883.6580308 C11378 4137 CORTISONE 359.1858494 191.3940553 C00762 4138 CORTISONE 377.1964136 C00762 4139 CORTISONE 381.1677948 C00762 4140 DECANOATE 171.1385053 C01571 4141 DECANOATE 189.1490695 C01571 4142 DECANOATE 193.1204507 C01571 4143 CORTICOSTERONE 345.2065848 186.803802 C02140 4144 CORTICOSTERONE 363.217149 C02140 4145 CORTICOSTERONE 367.1885302 C02140