diff test-data/arithmetics/query_divide_ri.tabular @ 0:505a8e975968 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/tables commit d0ff40eb2b536fec6c973c3a9ea8e7f31cd9a0d6
author recetox
date Wed, 29 Jan 2025 15:35:08 +0000
parents
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/arithmetics/query_divide_ri.tabular	Wed Jan 29 15:35:08 2025 +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