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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/tables commit d0ff40eb2b536fec6c973c3a9ea8e7f31cd9a0d6
| author | recetox |
|---|---|
| date | Wed, 29 Jan 2025 15:36:02 +0000 |
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precursor_mz license retention_index authors compound_name 362.18381 CC BY-NC 25.207359999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 2 489.1889 CC BY-NC 25.66364 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_TMS derivative 434.22321 CC BY-NC 24.15476 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_3TMS 362.18381 CC BY-NC 24.75613 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 1 136.05856 CC BY-NC 14.43328 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide 261.06659 CC BY-NC 13.76073 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_2TMS 201.11786 CC BY-NC 12.92953 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_1TMS 194.06293 CC BY-NC 13.16816 Price et al., RECETOX, Masaryk University (CZ) Nicotinic acid_1TMS 362.16293 CC BY-NC 16.64769 Price et al., RECETOX, Masaryk University (CZ) Ribose_4TMS 342.13101 CC BY-NC 18.92004 Price et al., RECETOX, Masaryk University (CZ) Syringic acid_2TMS 367.16711 CC BY-NC 21.18982 Price et al., RECETOX, Masaryk University (CZ) Guanine_3TMS 439.20303 CC BY-NC 21.750410000000002 Price et al., RECETOX, Masaryk University (CZ) Guanine_4TMS 260.14963 CC BY-NC 12.829749999999999 Price et al., RECETOX, Masaryk University (CZ) Leucine_2TMS 458.17902 CC BY-NC 19.51021 Price et al., RECETOX, Masaryk University (CZ) Gallic acid_4TMS 396.16028 CC BY-NC 21.313290000000002 Price et al., RECETOX, Masaryk University (CZ) trans-Caffeic acid_3TMS 396.1604 CC BY-NC 19.7529 Price et al., RECETOX, Masaryk University (CZ) cis-Caffeic acid_3TMS 525.24902 CC BY-NC 20.717660000000002 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 1 579.297 CC BY-NC 20.81004 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 2 326.1362 CC BY-NC 17.61149 Price et al., RECETOX, Masaryk University (CZ) 4-Hydroxy-3methoxyphenylacetic acid_2TMS 278.12305 CC BY-NC 13.17247 Price et al., RECETOX, Masaryk University (CZ) Glycine_3TMS 270.12137 CC BY-NC 14.02643 Price et al., RECETOX, Masaryk University (CZ) Thymine_2TMS 348.1713 CC BY-NC 16.58764 Price et al., RECETOX, Masaryk University (CZ) Asparagine_3TMS 368.1339 CC BY-NC 14.998520000000001 Price et al., RECETOX, Masaryk University (CZ) Asparagine_2TMS 420.21198 CC BY-NC 15.98743 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 1 420.21072 CC BY-NC 16.19979 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 2 320.15897 CC BY-NC 17.82981 Price et al., RECETOX, Masaryk University (CZ) Azelaic acid_2TMS 319.14154 CC BY-NC 19.60418 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_2TMS 245.10255 CC BY-NC 19.19926 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_1TMS 355.1398 CC BY-NC 21.19143 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_2TMS 426.17551 CC BY-NC 20.85942 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_3TMS 518.24091 CC BY-NC 19.00622 Price et al., RECETOX, Masaryk University (CZ) Allantoin_5TMS 446.20102 CC BY-NC 18.77684 Price et al., RECETOX, Masaryk University (CZ) Allantoin_4TMS 374.16168 CC BY-NC 20.65527 Price et al., RECETOX, Masaryk University (CZ) Allantoin_3TMS 252.10365 CC BY-NC 19.88727 Price et al., RECETOX, Masaryk University (CZ) Theobromine_1TMS 473.1601 CC BY-NC 23.10707 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 1 472.16409 CC BY-NC 23.324119999999997 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 2 434.21536 CC BY-NC 19.36412 Price et al., RECETOX, Masaryk University (CZ) Galactitol_6TMS 422.21552 CC BY-NC 17.13998 Price et al., RECETOX, Masaryk University (CZ) Ribitol_5TMS 363.17084 CC BY-NC 16.11723 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 2 273.12088 CC BY-NC 15.19766 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS 285.13287 CC BY-NC 15.284590000000001 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_2TMS 460.40933 CC BY-NC 31.951610000000002 Price et al., RECETOX, Masaryk University (CZ) Cholestanol_1TMS 249.07844 CC BY-NC 13.18455 Price et al., RECETOX, Masaryk University (CZ) Succinic acid_1TMS 598.29169 CC BY-NC 27.34555 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 1 624.3072 CC BY-NC 27.62246 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 2 292.13931 CC BY-NC 13.66752 Price et al., RECETOX, Masaryk University (CZ) Alanine_3TMS 227.02199 CC BY-NC 11.33662 Price et al., RECETOX, Masaryk University (CZ) Alanine_2TMS 232.07872 CC BY-NC 17.72129 Price et al., RECETOX, Masaryk University (CZ) Indole-2-carboxylic acid_1TMS 273.11054 CC BY-NC 12.23943 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_2TMS 415.03641 CC BY-NC 17.22841 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_4TMS 300.2475 CC BY-NC 18.39995 Price et al., RECETOX, Masaryk University (CZ) Myristic acid_1TMS 306.13684 CC BY-NC 15.12481 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer 333.15714 CC BY-NC 20.804050000000004 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid 261.11783 CC BY-NC 20.3159 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid_1TMS 305.12579 CC BY-NC 20.2371 Price et al., RECETOX, Masaryk University (CZ) Indole-3-carboxylic acid_2TMS 451.18115 CC BY-NC 18.74721 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,5-lactone 466.20514 CC BY-NC 18.88373 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,4-lactone 614.27368 CC BY-NC 19.94983 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid_6TMS 377.16287 CC BY-NC 19.17593 Price et al., RECETOX, Masaryk University (CZ) Gluconolactone 208.0979 CC BY-NC 14.56937 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide_1TMS 466.22858 CC BY-NC 18.77592 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 1 448.21866 CC BY-NC 18.95569 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 2 376.19946 CC BY-NC 23.847150000000003 Price et al., RECETOX, Masaryk University (CZ) Melatonin_2TMS 304.15997 CC BY-NC 24.457130000000003 Price et al., RECETOX, Masaryk University (CZ) Melatonin_1TMS 543.21246 CC BY-NC 25.64368 Price et al., RECETOX, Masaryk University (CZ) Inosine_4TMS 242.02328 CC BY-NC 14.338119999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_1TMS 304.15579 CC BY-NC 14.21252 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_2TMS 268.11243 CC BY-NC 17.08024 Price et al., RECETOX, Masaryk University (CZ) Homoveratric_acid_1TMS 434.2149 CC BY-NC 19.25111 Price et al., RECETOX, Masaryk University (CZ) Mannitol_6TMS 222.14323 CC BY-NC 13.21728 Price et al., RECETOX, Masaryk University (CZ) Thymol_1TMS 406.18625 CC BY-NC 22.125210000000003 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_3TMS 331.14139 CC BY-NC 21.53768 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_2TMS 378.10901 CC BY-NC 17.33549 Price et al., RECETOX, Masaryk University (CZ) trans-Aconitic acid_3TMS 468.37778 CC BY-NC 32.64982 Price et al., RECETOX, Masaryk University (CZ) Ergosterol_1TMS 277.10928 CC BY-NC 14.212919999999999 Price et al., RECETOX, Masaryk University (CZ) 3-Methylglutaric acid_2TMS 396.19299 CC BY-NC 17.0747 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS 413.3653 CC BY-NC 33.00418 Price et al., RECETOX, Masaryk University (CZ) Cholestenone 434.21451 CC BY-NC 19.32941 Price et al., RECETOX, Masaryk University (CZ) Sorbitol_6TMS 269.13876 CC BY-NC 12.9949 Price et al., RECETOX, Masaryk University (CZ) Isoleucine_2TMS 464.2132 CC BY-NC 18.61884 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 1 555.26501 CC BY-NC 18.71707 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 2 249.05966 CC BY-NC 13.50603 Price et al., RECETOX, Masaryk University (CZ) Fumaric acid_2TMS 468.15952 CC BY-NC 18.01269 Price et al., RECETOX, Masaryk University (CZ) Isocitric acid_4TMS 204.09969 CC BY-NC 12.46784 Price et al., RECETOX, Masaryk University (CZ) Urea_2TMS 276.15033 CC BY-NC 11.99655 Price et al., RECETOX, Masaryk University (CZ) Urea_3TMS 643.29096 CC BY-NC 27.61007 Price et al., RECETOX, Masaryk University (CZ) Guanosine_5TMS 371.18732 CC BY-NC 19.14512 Price et al., RECETOX, Masaryk University (CZ) Histidine_3TMS 443.22736 CC BY-NC 21.468670000000003 Price et al., RECETOX, Masaryk University (CZ) Histidine_4TMS 421.19458 CC BY-NC 16.40562 Price et al., RECETOX, Masaryk University (CZ) Xylose_4TMS 190.07045 CC BY-NC 12.69712 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_1TMS 392.20975 CC BY-NC 19.40186 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_3TMS 384.16013 CC BY-NC 18.15935 Price et al., RECETOX, Masaryk University (CZ) 3,4-Dihydroxybenzeneacetic acid_3TMS 476.27365 CC BY-NC 18.70232 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_4TMS 318.15744 CC BY-NC 20.988400000000002 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_2TMS 389.18936 CC BY-NC 20.48997 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_3TMS 520.3761 CC BY-NC 32.90675 Price et al., RECETOX, Masaryk University (CZ) Lithocholic acid_2TMS 464.2132 CC BY-NC 18.68664 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 1 402.17654 CC BY-NC 18.95068 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 2 390.23691 CC BY-NC 22.742649999999998 Price et al., RECETOX, Masaryk University (CZ) Tetradecanedioic acid_2TMS 596.39124 CC BY-NC 37.06675 Price et al., RECETOX, Masaryk University (CZ) Deoxycholic acid_3TMS 396.19266 CC BY-NC 17.06712 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS 459.14395 CC BY-NC 18.201790000000003 Price et al., RECETOX, Masaryk University (CZ) Phosphoserine_4TMS 337.11273 CC BY-NC 14.79336 Price et al., RECETOX, Masaryk University (CZ) Malic acid_3TMS 256.10553 CC BY-NC 13.40716 Price et al., RECETOX, Masaryk University (CZ) Uracil_2TMS 555.25403 CC BY-NC 26.267229999999998 Price et al., RECETOX, Masaryk University (CZ) Adenosine_4TMS 627.2951 CC BY-NC 26.948249999999998 Price et al., RECETOX, Masaryk University (CZ) Adenosine_5TMS 324.98636 CC BY-NC 19.250799999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_2TMS 476.2366 CC BY-NC 18.50038 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_4TMS 308.15137 CC BY-NC 15.26173 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_3TMS 401.98407 CC BY-NC 17.44992 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_3TMS 247.11795 CC BY-NC 12.677650000000002 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_2TMS 219.10622 CC BY-NC 11.60418 Price et al., RECETOX, Masaryk University (CZ) Sarcosine_2TMS 262.10492 CC BY-NC 12.26577 Price et al., RECETOX, Masaryk University (CZ) 2-Methylmalonic acid_2TMS 273.12122 CC BY-NC 15.18258 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS 391.166 CC BY-NC 16.54213 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_3TMS 330.10126 CC BY-NC 16.62921 Price et al., RECETOX, Masaryk University (CZ) Taurine_3TMS 508.25763 CC BY-NC 20.813139999999997 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_4TMS 467.15692 CC BY-NC 18.00533 Price et al., RECETOX, Masaryk University (CZ) Citric acid_4TMS 581.29388 CC BY-NC 20.68947 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 1 372.12848 CC BY-NC 17.3 Price et al., RECETOX, Masaryk University (CZ) Orotic acid_3TMS 434.20194 CC BY-NC 20.910439999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 2 373.20316 CC BY-NC 18.0872 Price et al., RECETOX, Masaryk University (CZ) Arginine_3TMS 539.2533 CC BY-NC 35.4185 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 1 648.42804 CC BY-NC 35.77725 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 2 410.17297 CC BY-NC 15.48223 Price et al., RECETOX, Masaryk University (CZ) Threonic acid_4TMS 325.00406 CC BY-NC 13.83911 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 2 334.17438 CC BY-NC 18.842850000000002 Price et al., RECETOX, Masaryk University (CZ) Sebacid acid_2TMS 312.11047 CC BY-NC 15.99903 Price et al., RECETOX, Masaryk University (CZ) Hypotaurine_3TMS 333.12225 CC BY-NC 20.64473 Price et al., RECETOX, Masaryk University (CZ) Kynurenic acid_2TMS 390.21848 CC BY-NC 17.514860000000002 Price et al., RECETOX, Masaryk University (CZ) Theanine_3TMS 318.1786 CC BY-NC 17.67969 Price et al., RECETOX, Masaryk University (CZ) Theanine_2TMS 311.11298 CC BY-NC 16.911379999999998 Price et al., RECETOX, Masaryk University (CZ) 4-Methoxymandelic acid_2TMS 404.23398 CC BY-NC 20.991770000000002 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_3TMS 476.27362 CC BY-NC 20.62792 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_4TMS 298.28644 CC BY-NC 21.230880000000003 Price et al., RECETOX, Masaryk University (CZ) Methyl stearate 334.18509 CC BY-NC 17.18079 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_3TMS 275.17328 CC BY-NC 14.89369 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_2TMS 305.14038 CC BY-NC 16.86939 Price et al., RECETOX, Masaryk University (CZ) Suberic acid_2TMS 234.10721 CC BY-NC 15.64514 Price et al., RECETOX, Masaryk University (CZ) alpha-Methylcinammic acid_1TMS 250.96794 CC BY-NC 13.0831 Price et al., RECETOX, Masaryk University (CZ) Maleic acid_2TMS 334.14865 CC BY-NC 15.131310000000001 Price et al., RECETOX, Masaryk University (CZ) Hydroxyproline_3TMS 498.91568 CC BY-NC 22.72319 Price et al., RECETOX, Masaryk University (CZ) Cystine_4TMS 260.14963 CC BY-NC 13.168510000000001 Price et al., RECETOX, Masaryk University (CZ) Norleucine_2TMS 329.17691 CC BY-NC 15.45214 Price et al., RECETOX, Masaryk University (CZ) Creatinine_3TMS 338.13629 CC BY-NC 20.775940000000002 Price et al., RECETOX, Masaryk University (CZ) Ferulic acid_2TMS 263.09412 CC BY-NC 13.960820000000002 Price et al., RECETOX, Masaryk University (CZ) Glutaric acid_2TMS 293.12958 CC BY-NC 15.08447 Price et al., RECETOX, Masaryk University (CZ) Methionine_2TMS 340.14175 CC BY-NC 22.749720000000003 Price et al., RECETOX, Masaryk University (CZ) Cysteine_4TMS 335.18893 CC BY-NC 15.42761 Price et al., RECETOX, Masaryk University (CZ) Cysteine_3TMS 305.15805 CC BY-NC 14.205060000000001 Price et al., RECETOX, Masaryk University (CZ) beta-Alanine_3TMS 263.10043 CC BY-NC 16.74306 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_1TMS 335.06458 CC BY-NC 16.53322 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_2TMS 434.26306 CC BY-NC 19.08314 Price et al., RECETOX, Masaryk University (CZ) Lysine_4TMS 362.22369 CC BY-NC 16.87725 Price et al., RECETOX, Masaryk University (CZ) Lysine_3TMS 381.16385 CC BY-NC 17.64405 Price et al., RECETOX, Masaryk University (CZ) Methionine sulfoxide_3TMS 261.10855 CC BY-NC 12.260340000000001 Price et al., RECETOX, Masaryk University (CZ) Valine_2TMS 390.15857 CC BY-NC 18.83896 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 1 388.14252 CC BY-NC 19.22836 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 2 451.21841 CC BY-NC 26.14971 Price et al., RECETOX, Masaryk University (CZ) Sucrose_8TMS 267.11365 CC BY-NC 13.37622 Price et al., RECETOX, Masaryk University (CZ) Itaconic acid_2TMS 462.20978 CC BY-NC 17.82877 Price et al., RECETOX, Masaryk University (CZ) Shikimic acid_4TMS 469.23215 CC BY-NC 19.48663 Price et al., RECETOX, Masaryk University (CZ) Epinepherine_4TMS 305.16257 CC BY-NC 18.83718 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_2TMS 232.11545 CC BY-NC 18.21623 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_1TMS 383.16971 CC BY-NC 19.25553 Price et al., RECETOX, Masaryk University (CZ) Tyrosine_3TMS 419.12936 CC BY-NC 20.58391 Price et al., RECETOX, Masaryk University (CZ) 3-Chlorotyrosine_3TMS 229.11282 CC BY-NC 15.22196 Price et al., RECETOX, Masaryk University (CZ) Acetylproline_1TMS 312.1207 CC BY-NC 17.46645 Price et al., RECETOX, Masaryk University (CZ) Vanillic acid_2TMS 335.17609 CC BY-NC 14.38379 Price et al., RECETOX, Masaryk University (CZ) Homoserine_3TMS 404.14093 CC BY-NC 16.58598 Price et al., RECETOX, Masaryk University (CZ) Homoserine_4TMS 384.16022 CC BY-NC 18.134159999999998 Price et al., RECETOX, Masaryk University (CZ) Homogentisic acid_3TMS 418.99484 CC BY-NC 25.0527 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_4TMS 351.15323 CC BY-NC 16.45979 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_3TMS 464.18985 CC BY-NC 19.32408 Price et al., RECETOX, Masaryk University (CZ) Ascorbic acid_4TMS 498.86856 CC BY-NC 27.28015 Price et al., RECETOX, Masaryk University (CZ) Spermine_6TMS 578.1349 CC BY-NC 22.383319999999998 Price et al., RECETOX, Masaryk University (CZ) Spermine_derivative 484.40952 CC BY-NC 32.80406 Price et al., RECETOX, Masaryk University (CZ) Stigmasterol_1TMS 194.07974 CC BY-NC 18.439970000000002 Price et al., RECETOX, Masaryk University (CZ) Caffeine 509.22403 CC BY-NC 20.77476 Price et al., RECETOX, Masaryk University (CZ) Myo-inositol_6TMS 176.09434 CC BY-NC 17.04209 Price et al., RECETOX, Masaryk University (CZ) Cotinine 372.27695 CC BY-NC 29.407069999999997 Price et al., RECETOX, Masaryk University (CZ) Progesterone 266.10165 CC BY-NC 17.91219 Price et al., RECETOX, Masaryk University (CZ) Acetylphenylalanine_1TMS 351.16812 CC BY-NC 17.73636 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_2TMS 456.18604 CC BY-NC 20.792170000000002 Price et al., RECETOX, Masaryk University (CZ) Uric acid_4TMS 261.0784 CC BY-NC 13.44988 Price et al., RECETOX, Masaryk University (CZ) Citraconic acid_2TMS 314.08749 CC BY-NC 17.08782 Price et al., RECETOX, Masaryk University (CZ) Quinolinic aicd_2TMS 405.18152 CC BY-NC 17.36717 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_3TMS 320.11572 CC BY-NC 17.59747 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_2TMS 464.252 CC BY-NC 24.461550000000003 Price et al., RECETOX, Masaryk University (CZ) Serotonin_4TMS 390.19714 CC BY-NC 24.74028 Price et al., RECETOX, Masaryk University (CZ) Serotonin_3TMS 368.15134 CC BY-NC 19.98854 Price et al., RECETOX, Masaryk University (CZ) Xanthine_3TMS 308.13397 CC BY-NC 13.53518 Price et al., RECETOX, Masaryk University (CZ) Serine_3TMS 380.17392 CC BY-NC 15.599210000000001 Price et al., RECETOX, Masaryk University (CZ) Serine_4TMS 462.21869 CC BY-NC 23.62292 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_3TMS 390.17914 CC BY-NC 24.179789999999997 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 1 503.2298 CC BY-NC 24.79712 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_derivative 386.14746 CC BY-NC 25.318 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 2 304.17181 CC BY-NC 19.506590000000003 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_2TMS 475.0034 CC BY-NC 21.37466 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_derivative 359.02829 CC BY-NC 21.9785 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS 374.20206 CC BY-NC 22.10789 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS 416.25623 CC BY-NC 26.840390000000003 Price et al., RECETOX, Masaryk University (CZ) Estradiol_2TMS 414.24042 CC BY-NC 27.173270000000002 Price et al., RECETOX, Masaryk University (CZ) Dehydroestradiol_2TMS 426.20065 CC BY-NC 21.742289999999997 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_3TMS 484.6163 CC BY-NC 21.27988 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_4TMS 363.17108 CC BY-NC 16.038130000000002 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 1 328.2792 CC BY-NC 20.317539999999997 Price et al., RECETOX, Masaryk University (CZ) Palmitic acid_1TMS 350.14514 CC BY-NC 21.492800000000003 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_2TMS 341.01743 CC BY-NC 21.40445 Price et al., RECETOX, Masaryk University (CZ) 1-Octadecanol_1TMS 440.22937 CC BY-NC 20.63897 Price et al., RECETOX, Masaryk University (CZ) Dopamine_4TMS 369.12262 CC BY-NC 18.03491 Price et al., RECETOX, Masaryk University (CZ) Dopamine_3TMS 371.22736 CC BY-NC 26.906480000000002 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS 342.20087 CC BY-NC 26.493049999999997 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS 407.17627 CC BY-NC 21.961149999999996 Price et al., RECETOX, Masaryk University (CZ) 5-Hydroxyindole-3-acetic acid_3TMS 519.20136 CC BY-NC 24.27129 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 1 517.20398 CC BY-NC 24.78395 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 2 326.26367 CC BY-NC 20.12293 Price et al., RECETOX, Masaryk University (CZ) Palmitoleic acid_1TMS 246.13393 CC BY-NC 12.445070000000001 Price et al., RECETOX, Masaryk University (CZ) Norvaline_2TMS 323.03726 CC BY-NC 14.699729999999999 Price et al., RECETOX, Masaryk University (CZ) Norvaline_3TMS 261.11807 CC BY-NC 18.87648 Price et al., RECETOX, Masaryk University (CZ) Methyl-3-indolylacetate_1TMS 486.42563 CC BY-NC 33.42255 Price et al., RECETOX, Masaryk University (CZ) beta-Sitosterol_1TMS 294.134 CC BY-NC 16.22569 Price et al., RECETOX, Masaryk University (CZ) Phenylalanine_2TMS 460.95105 CC BY-NC 19.07744 Price et al., RECETOX, Masaryk University (CZ) Homocitrulline_4TMS 278.10501 CC BY-NC 14.973469999999999 Price et al., RECETOX, Masaryk University (CZ) Acetylserine_2TMS 456.37824 CC BY-NC 32.20533 Price et al., RECETOX, Masaryk University (CZ) 7-Dehydrocholesterol_1TMS 271.08026 CC BY-NC 15.06984 Price et al., RECETOX, Masaryk University (CZ) Salicylic acid_2TMS 557.59625 CC BY-NC 26.84795 Price et al., RECETOX, Masaryk University (CZ) Cytidine_5TMS 359.2977 CC BY-NC 22.35718 Price et al., RECETOX, Masaryk University (CZ) Stearic acid_1TMS 279.13321 CC BY-NC 18.66714 Price et al., RECETOX, Masaryk University (CZ) Adenine_2TMS 466.22934 CC BY-NC 18.845039999999997 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 1 351.17252 CC BY-NC 19.25431 Price et al., RECETOX, Masaryk University (CZ) Adenine_3TMS 480.24384 CC BY-NC 19.07299 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 2 323.13168 CC BY-NC 17.99822 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_2TMS 238.07059 CC BY-NC 18.42755 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_1TMS 458.97305 CC BY-NC 17.83803 Price et al., RECETOX, Masaryk University (CZ) 2-Deoxyglucose_4TMS 359.11441 CC BY-NC 17.34565 Price et al., RECETOX, Masaryk University (CZ) 2,3-Dihydroxybenzoic acid_3TMS 468.37845 CC BY-NC 30.53203 Price et al., RECETOX, Masaryk University (CZ) Ergocalciferol_TMS 270.25577 CC BY-NC 19.25397 Price et al., RECETOX, Masaryk University (CZ) Methyl palmitate 259.07892 CC BY-NC 15.51845 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 2 256.1189 CC BY-NC 14.328589999999998 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 1 331.14514 CC BY-NC 15.26203 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_3TMS 466.22998 CC BY-NC 18.90842 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 1 448.21909 CC BY-NC 19.11034 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 2 349.15625 CC BY-NC 15.103800000000001 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer 502.42047 CC BY-NC 31.471149999999998 Price et al., RECETOX, Masaryk University (CZ) alpha-Tocopherol_1TMS 502.332 CC BY-NC 22.50516 Price et al., RECETOX, Masaryk University (CZ) Spermidine_5TMS 423.76837 CC BY-NC 21.991439999999997 Price et al., RECETOX, Masaryk University (CZ) Spermidine_4TMS 255.11404 CC BY-NC 15.17806 Price et al., RECETOX, Masaryk University (CZ) Cytosine_2TMS 327.16107 CC BY-NC 16.21093 Price et al., RECETOX, Masaryk University (CZ) Cytosine_3TMS 462.2586 CC BY-NC 18.50448 Price et al., RECETOX, Masaryk University (CZ) Glycylvaline_4TMS 280.11725 CC BY-NC 18.02407 Price et al., RECETOX, Masaryk University (CZ) Hypoxanthine_2TMS 417.30649 CC BY-NC 28.51973 Price et al., RECETOX, Masaryk University (CZ) Pregnenolone_1TMS 471.2048 CC BY-NC 20.88587 Price et al., RECETOX, Masaryk University (CZ) Levodopa_4TMS 224.08672 CC BY-NC 14.578409999999998 Price et al., RECETOX, Masaryk University (CZ) 2-Methoxybenzoic acid_1TMS 531.23712 CC BY-NC 26.733739999999997 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 1 557.9187 CC BY-NC 27.175990000000002 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 2 306.09992 CC BY-NC 16.441679999999998 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_2TMS 322.14883 CC BY-NC 13.81929 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 1 326.96603 CC BY-NC 16.46616 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 2 328.98157 CC BY-NC 16.21799 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 1 517.22162 CC BY-NC 26.81155 Price et al., RECETOX, Masaryk University (CZ) Cytidine_4TMS 456.37826 CC BY-NC 32.60078 Price et al., RECETOX, Masaryk University (CZ) Dehydrocholesterol_1TMS 466.36206 CC BY-NC 32.89183 Price et al., RECETOX, Masaryk University (CZ) Dehydroergosterol_1TMS 454.36246 CC BY-NC 32.42543 Price et al., RECETOX, Masaryk University (CZ) Cholestatrienol_1TMS 258.09448 CC BY-NC 13.040640000000002 Price et al., RECETOX, Masaryk University (CZ) Proline_2TMS