Mercurial > repos > recetox > table_pandas_rename_columns_regex
diff test-data/query.tabular @ 0:505a8e975968 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/tables commit d0ff40eb2b536fec6c973c3a9ea8e7f31cd9a0d6
| author | recetox |
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| date | Wed, 29 Jan 2025 15:35:08 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/query.tabular Wed Jan 29 15:35:08 2025 +0000 @@ -0,0 +1,266 @@ +precursor_mz license retention_index authors compound_name +362.18381 CC BY-NC 2520.736 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 2 +489.1889 CC BY-NC 2566.364 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_TMS derivative +434.22321 CC BY-NC 2415.476 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_3TMS +362.18381 CC BY-NC 2475.613 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 1 +136.05856 CC BY-NC 1443.328 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide +261.06659 CC BY-NC 1376.073 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_2TMS +201.11786 CC BY-NC 1292.953 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_1TMS +194.06293 CC BY-NC 1316.816 Price et al., RECETOX, Masaryk University (CZ) Nicotinic acid_1TMS +362.16293 CC BY-NC 1664.769 Price et al., RECETOX, Masaryk University (CZ) Ribose_4TMS +342.13101 CC BY-NC 1892.004 Price et al., RECETOX, Masaryk University (CZ) Syringic acid_2TMS +367.16711 CC BY-NC 2118.982 Price et al., RECETOX, Masaryk University (CZ) Guanine_3TMS +439.20303 CC BY-NC 2175.041 Price et al., RECETOX, Masaryk University (CZ) Guanine_4TMS +260.14963 CC BY-NC 1282.975 Price et al., RECETOX, Masaryk University (CZ) Leucine_2TMS +458.17902 CC BY-NC 1951.021 Price et al., RECETOX, Masaryk University (CZ) Gallic acid_4TMS +396.16028 CC BY-NC 2131.329 Price et al., RECETOX, Masaryk University (CZ) trans-Caffeic acid_3TMS +396.1604 CC BY-NC 1975.29 Price et al., RECETOX, Masaryk University (CZ) cis-Caffeic acid_3TMS +525.24902 CC BY-NC 2071.766 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 1 +579.297 CC BY-NC 2081.004 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 2 +326.1362 CC BY-NC 1761.149 Price et al., RECETOX, Masaryk University (CZ) 4-Hydroxy-3methoxyphenylacetic acid_2TMS +278.12305 CC BY-NC 1317.247 Price et al., RECETOX, Masaryk University (CZ) Glycine_3TMS +270.12137 CC BY-NC 1402.643 Price et al., RECETOX, Masaryk University (CZ) Thymine_2TMS +348.1713 CC BY-NC 1658.764 Price et al., RECETOX, Masaryk University (CZ) Asparagine_3TMS +368.1339 CC BY-NC 1499.852 Price et al., RECETOX, Masaryk University (CZ) Asparagine_2TMS +420.21198 CC BY-NC 1598.743 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 1 +420.21072 CC BY-NC 1619.979 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 2 +320.15897 CC BY-NC 1782.981 Price et al., RECETOX, Masaryk University (CZ) Azelaic acid_2TMS +319.14154 CC BY-NC 1960.418 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_2TMS +245.10255 CC BY-NC 1919.926 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_1TMS +355.1398 CC BY-NC 2119.143 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_2TMS +426.17551 CC BY-NC 2085.942 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_3TMS +518.24091 CC BY-NC 1900.622 Price et al., RECETOX, Masaryk University (CZ) Allantoin_5TMS +446.20102 CC BY-NC 1877.684 Price et al., RECETOX, Masaryk University (CZ) Allantoin_4TMS +374.16168 CC BY-NC 2065.527 Price et al., RECETOX, Masaryk University (CZ) Allantoin_3TMS +252.10365 CC BY-NC 1988.727 Price et al., RECETOX, Masaryk University (CZ) Theobromine_1TMS +473.1601 CC BY-NC 2310.707 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 1 +472.16409 CC BY-NC 2332.412 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 2 +434.21536 CC BY-NC 1936.412 Price et al., RECETOX, Masaryk University (CZ) Galactitol_6TMS +422.21552 CC BY-NC 1713.998 Price et al., RECETOX, Masaryk University (CZ) Ribitol_5TMS +363.17084 CC BY-NC 1611.723 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 2 +273.12088 CC BY-NC 1519.766 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS +285.13287 CC BY-NC 1528.459 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_2TMS +460.40933 CC BY-NC 3195.161 Price et al., RECETOX, Masaryk University (CZ) Cholestanol_1TMS +249.07844 CC BY-NC 1318.455 Price et al., RECETOX, Masaryk University (CZ) Succinic acid_1TMS +598.29169 CC BY-NC 2734.555 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 1 +624.3072 CC BY-NC 2762.246 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 2 +292.13931 CC BY-NC 1366.752 Price et al., RECETOX, Masaryk University (CZ) Alanine_3TMS +227.02199 CC BY-NC 1133.662 Price et al., RECETOX, Masaryk University (CZ) Alanine_2TMS +232.07872 CC BY-NC 1772.129 Price et al., RECETOX, Masaryk University (CZ) Indole-2-carboxylic acid_1TMS +273.11054 CC BY-NC 1223.943 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_2TMS +415.03641 CC BY-NC 1722.841 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_4TMS +300.2475 CC BY-NC 1839.995 Price et al., RECETOX, Masaryk University (CZ) Myristic acid_1TMS +306.13684 CC BY-NC 1512.481 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer +333.15714 CC BY-NC 2080.405 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid +261.11783 CC BY-NC 2031.59 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid_1TMS +305.12579 CC BY-NC 2023.71 Price et al., RECETOX, Masaryk University (CZ) Indole-3-carboxylic acid_2TMS +451.18115 CC BY-NC 1874.721 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,5-lactone +466.20514 CC BY-NC 1888.373 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,4-lactone +614.27368 CC BY-NC 1994.983 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid_6TMS +377.16287 CC BY-NC 1917.593 Price et al., RECETOX, Masaryk University (CZ) Gluconolactone +208.0979 CC BY-NC 1456.937 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide_1TMS +466.22858 CC BY-NC 1877.592 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 1 +448.21866 CC BY-NC 1895.569 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 2 +376.19946 CC BY-NC 2384.715 Price et al., RECETOX, Masaryk University (CZ) Melatonin_2TMS +304.15997 CC BY-NC 2445.713 Price et al., RECETOX, Masaryk University (CZ) Melatonin_1TMS +543.21246 CC BY-NC 2564.368 Price et al., RECETOX, Masaryk University (CZ) Inosine_4TMS +242.02328 CC BY-NC 1433.812 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_1TMS +304.15579 CC BY-NC 1421.252 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_2TMS +268.11243 CC BY-NC 1708.024 Price et al., RECETOX, Masaryk University (CZ) Homoveratric_acid_1TMS +434.2149 CC BY-NC 1925.111 Price et al., RECETOX, Masaryk University (CZ) Mannitol_6TMS +222.14323 CC BY-NC 1321.728 Price et al., RECETOX, Masaryk University (CZ) Thymol_1TMS +406.18625 CC BY-NC 2212.521 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_3TMS +331.14139 CC BY-NC 2153.768 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_2TMS +378.10901 CC BY-NC 1733.549 Price et al., RECETOX, Masaryk University (CZ) trans-Aconitic acid_3TMS +468.37778 CC BY-NC 3264.982 Price et al., RECETOX, Masaryk University (CZ) Ergosterol_1TMS +277.10928 CC BY-NC 1421.292 Price et al., RECETOX, Masaryk University (CZ) 3-Methylglutaric acid_2TMS +396.19299 CC BY-NC 1707.47 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS +413.3653 CC BY-NC 3300.418 Price et al., RECETOX, Masaryk University (CZ) Cholestenone +434.21451 CC BY-NC 1932.941 Price et al., RECETOX, Masaryk University (CZ) Sorbitol_6TMS +269.13876 CC BY-NC 1299.49 Price et al., RECETOX, Masaryk University (CZ) Isoleucine_2TMS +464.2132 CC BY-NC 1861.884 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 1 +555.26501 CC BY-NC 1871.707 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 2 +249.05966 CC BY-NC 1350.603 Price et al., RECETOX, Masaryk University (CZ) Fumaric acid_2TMS +468.15952 CC BY-NC 1801.269 Price et al., RECETOX, Masaryk University (CZ) Isocitric acid_4TMS +204.09969 CC BY-NC 1246.784 Price et al., RECETOX, Masaryk University (CZ) Urea_2TMS +276.15033 CC BY-NC 1199.655 Price et al., RECETOX, Masaryk University (CZ) Urea_3TMS +643.29096 CC BY-NC 2761.007 Price et al., RECETOX, Masaryk University (CZ) Guanosine_5TMS +371.18732 CC BY-NC 1914.512 Price et al., RECETOX, Masaryk University (CZ) Histidine_3TMS +443.22736 CC BY-NC 2146.867 Price et al., RECETOX, Masaryk University (CZ) Histidine_4TMS +421.19458 CC BY-NC 1640.562 Price et al., RECETOX, Masaryk University (CZ) Xylose_4TMS +190.07045 CC BY-NC 1269.712 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_1TMS +392.20975 CC BY-NC 1940.186 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_3TMS +384.16013 CC BY-NC 1815.935 Price et al., RECETOX, Masaryk University (CZ) 3,4-Dihydroxybenzeneacetic acid_3TMS +476.27365 CC BY-NC 1870.232 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_4TMS +318.15744 CC BY-NC 2098.84 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_2TMS +389.18936 CC BY-NC 2048.997 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_3TMS +520.3761 CC BY-NC 3290.675 Price et al., RECETOX, Masaryk University (CZ) Lithocholic acid_2TMS +464.2132 CC BY-NC 1868.664 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 1 +402.17654 CC BY-NC 1895.068 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 2 +390.23691 CC BY-NC 2274.265 Price et al., RECETOX, Masaryk University (CZ) Tetradecanedioic acid_2TMS +596.39124 CC BY-NC 3706.675 Price et al., RECETOX, Masaryk University (CZ) Deoxycholic acid_3TMS +396.19266 CC BY-NC 1706.712 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS +459.14395 CC BY-NC 1820.179 Price et al., RECETOX, Masaryk University (CZ) Phosphoserine_4TMS +337.11273 CC BY-NC 1479.336 Price et al., RECETOX, Masaryk University (CZ) Malic acid_3TMS +256.10553 CC BY-NC 1340.716 Price et al., RECETOX, Masaryk University (CZ) Uracil_2TMS +555.25403 CC BY-NC 2626.723 Price et al., RECETOX, Masaryk University (CZ) Adenosine_4TMS +627.2951 CC BY-NC 2694.825 Price et al., RECETOX, Masaryk University (CZ) Adenosine_5TMS +324.98636 CC BY-NC 1925.08 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_2TMS +476.2366 CC BY-NC 1850.038 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_4TMS +308.15137 CC BY-NC 1526.173 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_3TMS +401.98407 CC BY-NC 1744.992 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_3TMS +247.11795 CC BY-NC 1267.765 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_2TMS +219.10622 CC BY-NC 1160.418 Price et al., RECETOX, Masaryk University (CZ) Sarcosine_2TMS +262.10492 CC BY-NC 1226.577 Price et al., RECETOX, Masaryk University (CZ) 2-Methylmalonic acid_2TMS +273.12122 CC BY-NC 1518.258 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS +391.166 CC BY-NC 1654.213 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_3TMS +330.10126 CC BY-NC 1662.921 Price et al., RECETOX, Masaryk University (CZ) Taurine_3TMS +508.25763 CC BY-NC 2081.314 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_4TMS +467.15692 CC BY-NC 1800.533 Price et al., RECETOX, Masaryk University (CZ) Citric acid_4TMS +581.29388 CC BY-NC 2068.947 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 1 +372.12848 CC BY-NC 1730.0 Price et al., RECETOX, Masaryk University (CZ) Orotic acid_3TMS +434.20194 CC BY-NC 2091.044 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 2 +373.20316 CC BY-NC 1808.72 Price et al., RECETOX, Masaryk University (CZ) Arginine_3TMS +539.2533 CC BY-NC 3541.85 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 1 +648.42804 CC BY-NC 3577.725 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 2 +410.17297 CC BY-NC 1548.223 Price et al., RECETOX, Masaryk University (CZ) Threonic acid_4TMS +325.00406 CC BY-NC 1383.911 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 2 +334.17438 CC BY-NC 1884.285 Price et al., RECETOX, Masaryk University (CZ) Sebacid acid_2TMS +312.11047 CC BY-NC 1599.903 Price et al., RECETOX, Masaryk University (CZ) Hypotaurine_3TMS +333.12225 CC BY-NC 2064.473 Price et al., RECETOX, Masaryk University (CZ) Kynurenic acid_2TMS +390.21848 CC BY-NC 1751.486 Price et al., RECETOX, Masaryk University (CZ) Theanine_3TMS +318.1786 CC BY-NC 1767.969 Price et al., RECETOX, Masaryk University (CZ) Theanine_2TMS +311.11298 CC BY-NC 1691.138 Price et al., RECETOX, Masaryk University (CZ) 4-Methoxymandelic acid_2TMS +404.23398 CC BY-NC 2099.177 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_3TMS +476.27362 CC BY-NC 2062.792 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_4TMS +298.28644 CC BY-NC 2123.088 Price et al., RECETOX, Masaryk University (CZ) Methyl stearate +334.18509 CC BY-NC 1718.079 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_3TMS +275.17328 CC BY-NC 1489.369 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_2TMS +305.14038 CC BY-NC 1686.939 Price et al., RECETOX, Masaryk University (CZ) Suberic acid_2TMS +234.10721 CC BY-NC 1564.514 Price et al., RECETOX, Masaryk University (CZ) alpha-Methylcinammic acid_1TMS +250.96794 CC BY-NC 1308.31 Price et al., RECETOX, Masaryk University (CZ) Maleic acid_2TMS +334.14865 CC BY-NC 1513.131 Price et al., RECETOX, Masaryk University (CZ) Hydroxyproline_3TMS +498.91568 CC BY-NC 2272.319 Price et al., RECETOX, Masaryk University (CZ) Cystine_4TMS +260.14963 CC BY-NC 1316.851 Price et al., RECETOX, Masaryk University (CZ) Norleucine_2TMS +329.17691 CC BY-NC 1545.214 Price et al., RECETOX, Masaryk University (CZ) Creatinine_3TMS +338.13629 CC BY-NC 2077.594 Price et al., RECETOX, Masaryk University (CZ) Ferulic acid_2TMS +263.09412 CC BY-NC 1396.082 Price et al., RECETOX, Masaryk University (CZ) Glutaric acid_2TMS +293.12958 CC BY-NC 1508.447 Price et al., RECETOX, Masaryk University (CZ) Methionine_2TMS +340.14175 CC BY-NC 2274.972 Price et al., RECETOX, Masaryk University (CZ) Cysteine_4TMS +335.18893 CC BY-NC 1542.761 Price et al., RECETOX, Masaryk University (CZ) Cysteine_3TMS +305.15805 CC BY-NC 1420.506 Price et al., RECETOX, Masaryk University (CZ) beta-Alanine_3TMS +263.10043 CC BY-NC 1674.306 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_1TMS +335.06458 CC BY-NC 1653.322 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_2TMS +434.26306 CC BY-NC 1908.314 Price et al., RECETOX, Masaryk University (CZ) Lysine_4TMS +362.22369 CC BY-NC 1687.725 Price et al., RECETOX, Masaryk University (CZ) Lysine_3TMS +381.16385 CC BY-NC 1764.405 Price et al., RECETOX, Masaryk University (CZ) Methionine sulfoxide_3TMS +261.10855 CC BY-NC 1226.034 Price et al., RECETOX, Masaryk University (CZ) Valine_2TMS +390.15857 CC BY-NC 1883.896 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 1 +388.14252 CC BY-NC 1922.836 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 2 +451.21841 CC BY-NC 2614.971 Price et al., RECETOX, Masaryk University (CZ) Sucrose_8TMS +267.11365 CC BY-NC 1337.622 Price et al., RECETOX, Masaryk University (CZ) Itaconic acid_2TMS +462.20978 CC BY-NC 1782.877 Price et al., RECETOX, Masaryk University (CZ) Shikimic acid_4TMS +469.23215 CC BY-NC 1948.663 Price et al., RECETOX, Masaryk University (CZ) Epinepherine_4TMS +305.16257 CC BY-NC 1883.718 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_2TMS +232.11545 CC BY-NC 1821.623 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_1TMS +383.16971 CC BY-NC 1925.553 Price et al., RECETOX, Masaryk University (CZ) Tyrosine_3TMS +419.12936 CC BY-NC 2058.391 Price et al., RECETOX, Masaryk University (CZ) 3-Chlorotyrosine_3TMS +229.11282 CC BY-NC 1522.196 Price et al., RECETOX, Masaryk University (CZ) Acetylproline_1TMS +312.1207 CC BY-NC 1746.645 Price et al., RECETOX, Masaryk University (CZ) Vanillic acid_2TMS +335.17609 CC BY-NC 1438.379 Price et al., RECETOX, Masaryk University (CZ) Homoserine_3TMS +404.14093 CC BY-NC 1658.598 Price et al., RECETOX, Masaryk University (CZ) Homoserine_4TMS +384.16022 CC BY-NC 1813.416 Price et al., RECETOX, Masaryk University (CZ) Homogentisic acid_3TMS +418.99484 CC BY-NC 2505.27 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_4TMS +351.15323 CC BY-NC 1645.979 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_3TMS +464.18985 CC BY-NC 1932.408 Price et al., RECETOX, Masaryk University (CZ) Ascorbic acid_4TMS +498.86856 CC BY-NC 2728.015 Price et al., RECETOX, Masaryk University (CZ) Spermine_6TMS +578.1349 CC BY-NC 2238.332 Price et al., RECETOX, Masaryk University (CZ) Spermine_derivative +484.40952 CC BY-NC 3280.406 Price et al., RECETOX, Masaryk University (CZ) Stigmasterol_1TMS +194.07974 CC BY-NC 1843.997 Price et al., RECETOX, Masaryk University (CZ) Caffeine +509.22403 CC BY-NC 2077.476 Price et al., RECETOX, Masaryk University (CZ) Myo-inositol_6TMS +176.09434 CC BY-NC 1704.209 Price et al., RECETOX, Masaryk University (CZ) Cotinine +372.27695 CC BY-NC 2940.707 Price et al., RECETOX, Masaryk University (CZ) Progesterone +266.10165 CC BY-NC 1791.219 Price et al., RECETOX, Masaryk University (CZ) Acetylphenylalanine_1TMS +351.16812 CC BY-NC 1773.636 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_2TMS +456.18604 CC BY-NC 2079.217 Price et al., RECETOX, Masaryk University (CZ) Uric acid_4TMS +261.0784 CC BY-NC 1344.988 Price et al., RECETOX, Masaryk University (CZ) Citraconic acid_2TMS +314.08749 CC BY-NC 1708.782 Price et al., RECETOX, Masaryk University (CZ) Quinolinic aicd_2TMS +405.18152 CC BY-NC 1736.717 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_3TMS +320.11572 CC BY-NC 1759.747 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_2TMS +464.252 CC BY-NC 2446.155 Price et al., RECETOX, Masaryk University (CZ) Serotonin_4TMS +390.19714 CC BY-NC 2474.028 Price et al., RECETOX, Masaryk University (CZ) Serotonin_3TMS +368.15134 CC BY-NC 1998.854 Price et al., RECETOX, Masaryk University (CZ) Xanthine_3TMS +308.13397 CC BY-NC 1353.518 Price et al., RECETOX, Masaryk University (CZ) Serine_3TMS +380.17392 CC BY-NC 1559.921 Price et al., RECETOX, Masaryk University (CZ) Serine_4TMS +462.21869 CC BY-NC 2362.292 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_3TMS +390.17914 CC BY-NC 2417.979 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 1 +503.2298 CC BY-NC 2479.712 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_derivative +386.14746 CC BY-NC 2531.8 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 2 +304.17181 CC BY-NC 1950.659 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_2TMS +475.0034 CC BY-NC 2137.466 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_derivative +359.02829 CC BY-NC 2197.85 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS +374.20206 CC BY-NC 2210.789 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS +416.25623 CC BY-NC 2684.039 Price et al., RECETOX, Masaryk University (CZ) Estradiol_2TMS +414.24042 CC BY-NC 2717.327 Price et al., RECETOX, Masaryk University (CZ) Dehydroestradiol_2TMS +426.20065 CC BY-NC 2174.229 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_3TMS +484.6163 CC BY-NC 2127.988 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_4TMS +363.17108 CC BY-NC 1603.813 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 1 +328.2792 CC BY-NC 2031.754 Price et al., RECETOX, Masaryk University (CZ) Palmitic acid_1TMS +350.14514 CC BY-NC 2149.28 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_2TMS +341.01743 CC BY-NC 2140.445 Price et al., RECETOX, Masaryk University (CZ) 1-Octadecanol_1TMS +440.22937 CC BY-NC 2063.897 Price et al., RECETOX, Masaryk University (CZ) Dopamine_4TMS +369.12262 CC BY-NC 1803.491 Price et al., RECETOX, Masaryk University (CZ) Dopamine_3TMS +371.22736 CC BY-NC 2690.648 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS +342.20087 CC BY-NC 2649.305 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS +407.17627 CC BY-NC 2196.115 Price et al., RECETOX, Masaryk University (CZ) 5-Hydroxyindole-3-acetic acid_3TMS +519.20136 CC BY-NC 2427.129 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 1 +517.20398 CC BY-NC 2478.395 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 2 +326.26367 CC BY-NC 2012.293 Price et al., RECETOX, Masaryk University (CZ) Palmitoleic acid_1TMS +246.13393 CC BY-NC 1244.507 Price et al., RECETOX, Masaryk University (CZ) Norvaline_2TMS +323.03726 CC BY-NC 1469.973 Price et al., RECETOX, Masaryk University (CZ) Norvaline_3TMS +261.11807 CC BY-NC 1887.648 Price et al., RECETOX, Masaryk University (CZ) Methyl-3-indolylacetate_1TMS +486.42563 CC BY-NC 3342.255 Price et al., RECETOX, Masaryk University (CZ) beta-Sitosterol_1TMS +294.134 CC BY-NC 1622.569 Price et al., RECETOX, Masaryk University (CZ) Phenylalanine_2TMS +460.95105 CC BY-NC 1907.744 Price et al., RECETOX, Masaryk University (CZ) Homocitrulline_4TMS +278.10501 CC BY-NC 1497.347 Price et al., RECETOX, Masaryk University (CZ) Acetylserine_2TMS +456.37824 CC BY-NC 3220.533 Price et al., RECETOX, Masaryk University (CZ) 7-Dehydrocholesterol_1TMS +271.08026 CC BY-NC 1506.984 Price et al., RECETOX, Masaryk University (CZ) Salicylic acid_2TMS +557.59625 CC BY-NC 2684.795 Price et al., RECETOX, Masaryk University (CZ) Cytidine_5TMS +359.2977 CC BY-NC 2235.718 Price et al., RECETOX, Masaryk University (CZ) Stearic acid_1TMS +279.13321 CC BY-NC 1866.714 Price et al., RECETOX, Masaryk University (CZ) Adenine_2TMS +466.22934 CC BY-NC 1884.504 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 1 +351.17252 CC BY-NC 1925.431 Price et al., RECETOX, Masaryk University (CZ) Adenine_3TMS +480.24384 CC BY-NC 1907.299 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 2 +323.13168 CC BY-NC 1799.822 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_2TMS +238.07059 CC BY-NC 1842.755 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_1TMS +458.97305 CC BY-NC 1783.803 Price et al., RECETOX, Masaryk University (CZ) 2-Deoxyglucose_4TMS +359.11441 CC BY-NC 1734.565 Price et al., RECETOX, Masaryk University (CZ) 2,3-Dihydroxybenzoic acid_3TMS +468.37845 CC BY-NC 3053.203 Price et al., RECETOX, Masaryk University (CZ) Ergocalciferol_TMS +270.25577 CC BY-NC 1925.397 Price et al., RECETOX, Masaryk University (CZ) Methyl palmitate +259.07892 CC BY-NC 1551.845 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 2 +256.1189 CC BY-NC 1432.859 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 1 +331.14514 CC BY-NC 1526.203 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_3TMS +466.22998 CC BY-NC 1890.842 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 1 +448.21909 CC BY-NC 1911.034 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 2 +349.15625 CC BY-NC 1510.38 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer +502.42047 CC BY-NC 3147.115 Price et al., RECETOX, Masaryk University (CZ) alpha-Tocopherol_1TMS +502.332 CC BY-NC 2250.516 Price et al., RECETOX, Masaryk University (CZ) Spermidine_5TMS +423.76837 CC BY-NC 2199.144 Price et al., RECETOX, Masaryk University (CZ) Spermidine_4TMS +255.11404 CC BY-NC 1517.806 Price et al., RECETOX, Masaryk University (CZ) Cytosine_2TMS +327.16107 CC BY-NC 1621.093 Price et al., RECETOX, Masaryk University (CZ) Cytosine_3TMS +462.2586 CC BY-NC 1850.448 Price et al., RECETOX, Masaryk University (CZ) Glycylvaline_4TMS +280.11725 CC BY-NC 1802.407 Price et al., RECETOX, Masaryk University (CZ) Hypoxanthine_2TMS +417.30649 CC BY-NC 2851.973 Price et al., RECETOX, Masaryk University (CZ) Pregnenolone_1TMS +471.2048 CC BY-NC 2088.587 Price et al., RECETOX, Masaryk University (CZ) Levodopa_4TMS +224.08672 CC BY-NC 1457.841 Price et al., RECETOX, Masaryk University (CZ) 2-Methoxybenzoic acid_1TMS +531.23712 CC BY-NC 2673.374 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 1 +557.9187 CC BY-NC 2717.599 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 2 +306.09992 CC BY-NC 1644.168 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_2TMS +322.14883 CC BY-NC 1381.929 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 1 +326.96603 CC BY-NC 1646.616 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 2 +328.98157 CC BY-NC 1621.799 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 1 +517.22162 CC BY-NC 2681.155 Price et al., RECETOX, Masaryk University (CZ) Cytidine_4TMS +456.37826 CC BY-NC 3260.078 Price et al., RECETOX, Masaryk University (CZ) Dehydrocholesterol_1TMS +466.36206 CC BY-NC 3289.183 Price et al., RECETOX, Masaryk University (CZ) Dehydroergosterol_1TMS +454.36246 CC BY-NC 3242.543 Price et al., RECETOX, Masaryk University (CZ) Cholestatrienol_1TMS +258.09448 CC BY-NC 1304.064 Price et al., RECETOX, Masaryk University (CZ) Proline_2TMS