Mercurial > repos > recetox > table_pandas_rename_columns_regex

comparison test-data/transform/query_log.tabular @ 0:505a8e975968 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
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
children
comparison
equal deleted inserted replaced
-1:000000000000 0:505a8e975968
1 precursor_mz license retention_index authors compound_name
2 5.892151845388988 CC BY-NC 7.832306201355293 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 2
3 6.192748713449297 CC BY-NC 7.850245390142389 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_TMS derivative
4 6.073558710644747 CC BY-NC 7.78965164811401 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_3TMS
5 5.892151845388988 CC BY-NC 7.81424332110364 Price et al., RECETOX, Masaryk University (CZ) Acetylserotonin_2TMS isomer 1
6 4.9130853812948345 CC BY-NC 7.274706837171483 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide
7 5.564775508881141 CC BY-NC 7.226989069411646 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_2TMS
8 5.303891104371645 CC BY-NC 7.164684028536563 Price et al., RECETOX, Masaryk University (CZ) Pipecolinic acid_1TMS
9 5.2681824879063415 CC BY-NC 7.182971980517274 Price et al., RECETOX, Masaryk University (CZ) Nicotinic acid_1TMS
10 5.8920941934417845 CC BY-NC 7.417441654050696 Price et al., RECETOX, Masaryk University (CZ) Ribose_4TMS
11 5.835193733885396 CC BY-NC 7.545391863774493 Price et al., RECETOX, Masaryk University (CZ) Syringic acid_2TMS
12 5.905817085017953 CC BY-NC 7.658691063659308 Price et al., RECETOX, Masaryk University (CZ) Guanine_3TMS
13 6.084961789078627 CC BY-NC 7.684802793919827 Price et al., RECETOX, Masaryk University (CZ) Guanine_4TMS
14 5.56125696547891 CC BY-NC 7.156936878845119 Price et al., RECETOX, Masaryk University (CZ) Leucine_2TMS
15 6.127259981105538 CC BY-NC 7.5761081042761 Price et al., RECETOX, Masaryk University (CZ) Gallic acid_4TMS
16 5.981818876841064 CC BY-NC 7.664501007793526 Price et al., RECETOX, Masaryk University (CZ) trans-Caffeic acid_3TMS
17 5.98181917974872 CC BY-NC 7.588470501998992 Price et al., RECETOX, Masaryk University (CZ) cis-Caffeic acid_3TMS
18 6.2638724739451686 CC BY-NC 7.636156662638874 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 1
19 6.361815299425264 CC BY-NC 7.640605748544599 Price et al., RECETOX, Masaryk University (CZ) Acetylglucosamine_5TMS isomer 2
20 5.7873150855272195 CC BY-NC 7.4737217159333635 Price et al., RECETOX, Masaryk University (CZ) 4-Hydroxy-3methoxyphenylacetic acid_2TMS
21 5.6280636416599705 CC BY-NC 7.183299231614796 Price et al., RECETOX, Masaryk University (CZ) Glycine_3TMS
22 5.598871376513712 CC BY-NC 7.246113592983518 Price et al., RECETOX, Masaryk University (CZ) Thymine_2TMS
23 5.85269460004274 CC BY-NC 7.413828025701229 Price et al., RECETOX, Masaryk University (CZ) Asparagine_3TMS
24 5.908446730684061 CC BY-NC 7.313121715555759 Price et al., RECETOX, Masaryk University (CZ) Asparagine_2TMS
25 6.040759298237713 CC BY-NC 7.376972974462826 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 1
26 6.0407562997465964 CC BY-NC 7.390168465179447 Price et al., RECETOX, Masaryk University (CZ) Asparagine_4TMS isomer 2
27 5.768817653688819 CC BY-NC 7.486041961608943 Price et al., RECETOX, Masaryk University (CZ) Azelaic acid_2TMS
28 5.765634703439085 CC BY-NC 7.580912994792873 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_2TMS
29 5.501676694396715 CC BY-NC 7.560041922612411 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetic acid_1TMS
30 5.872511514772339 CC BY-NC 7.658767040653888 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_2TMS
31 6.054851256727773 CC BY-NC 7.642975830763813 Price et al., RECETOX, Masaryk University (CZ) Acetyltyrosine_3TMS
32 6.25044021136467 CC BY-NC 7.549936480002235 Price et al., RECETOX, Masaryk University (CZ) Allantoin_5TMS
33 6.100769567966236 CC BY-NC 7.537794381499459 Price et al., RECETOX, Masaryk University (CZ) Allantoin_4TMS
34 5.924688003465279 CC BY-NC 7.633140678646807 Price et al., RECETOX, Masaryk University (CZ) Allantoin_3TMS
35 5.529840312470658 CC BY-NC 7.595250014531695 Price et al., RECETOX, Masaryk University (CZ) Theobromine_1TMS
36 6.159433809022514 CC BY-NC 7.745308817294907 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 1
37 6.15732657347497 CC BY-NC 7.754658204249875 Price et al., RECETOX, Masaryk University (CZ) Glucose-6-phosphate_6TMS isomer 2
38 6.073540632221537 CC BY-NC 7.56859205511306 Price et al., RECETOX, Masaryk University (CZ) Galactitol_6TMS
39 6.045515894568059 CC BY-NC 7.4465839322959 Price et al., RECETOX, Masaryk University (CZ) Ribitol_5TMS
40 5.894873357160405 CC BY-NC 7.38505907207275 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 2
41 5.609914481067888 CC BY-NC 7.326311654620788 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS
42 5.652955282152605 CC BY-NC 7.3320153172877784 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_2TMS
43 6.132115941629364 CC BY-NC 8.069392756778345 Price et al., RECETOX, Masaryk University (CZ) Cholestanol_1TMS
44 5.517767866936621 CC BY-NC 7.184215875518078 Price et al., RECETOX, Masaryk University (CZ) Succinic acid_1TMS
45 6.394078410946361 CC BY-NC 7.913723995950803 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 1
46 6.436642554918062 CC BY-NC 7.923799395897386 Price et al., RECETOX, Masaryk University (CZ) Maltose_8TMS isomer 2
47 5.677230777538585 CC BY-NC 7.220192401099445 Price et al., RECETOX, Masaryk University (CZ) Alanine_3TMS
48 5.425046885036285 CC BY-NC 7.033208379894271 Price et al., RECETOX, Masaryk University (CZ) Alanine_2TMS
49 5.447076624458401 CC BY-NC 7.479936927612366 Price et al., RECETOX, Masaryk University (CZ) Indole-2-carboxylic acid_1TMS
50 5.609876621656573 CC BY-NC 7.109832893360468 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_2TMS
51 6.028366251321972 CC BY-NC 7.4517299513643875 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_4TMS
52 5.704607134530757 CC BY-NC 7.517518133208035 Price et al., RECETOX, Masaryk University (CZ) Myristic acid_1TMS
53 5.724032191535421 CC BY-NC 7.3215066278426235 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer
54 5.8086142705663715 CC BY-NC 7.640317865279994 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid
55 5.564971761385819 CC BY-NC 7.61657401668619 Price et al., RECETOX, Masaryk University (CZ) 3-Indolepropionic acid_1TMS
56 5.720724117812599 CC BY-NC 7.612687739509295 Price et al., RECETOX, Masaryk University (CZ) Indole-3-carboxylic acid_2TMS
57 6.111868921828877 CC BY-NC 7.536215127332693 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,5-lactone
58 6.144625751851904 CC BY-NC 7.543470890751658 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid-1,4-lactone
59 6.420440561736766 CC BY-NC 7.5983908079844 Price et al., RECETOX, Masaryk University (CZ) Gluconic acid_6TMS
60 5.932677110071123 CC BY-NC 7.5588260327171835 Price et al., RECETOX, Masaryk University (CZ) Gluconolactone
61 5.338008642046413 CC BY-NC 7.284091565727062 Price et al., RECETOX, Masaryk University (CZ) Methylnicotinamide_1TMS
62 6.1446760288839375 CC BY-NC 7.537745383769321 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 1
63 6.105281193699653 CC BY-NC 7.5472743362986 Price et al., RECETOX, Masaryk University (CZ) Mannose_5TMS isomer 2
64 5.930119481459201 CC BY-NC 7.7768348993267775 Price et al., RECETOX, Masaryk University (CZ) Melatonin_2TMS
65 5.717553780107815 CC BY-NC 7.802091974939347 Price et al., RECETOX, Masaryk University (CZ) Melatonin_1TMS
66 6.297500514125741 CC BY-NC 7.849467333482757 Price et al., RECETOX, Masaryk University (CZ) Inosine_4TMS
67 5.48903391987703 CC BY-NC 7.268091910751862 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_1TMS
68 5.717540037245063 CC BY-NC 7.259293452275717 Price et al., RECETOX, Masaryk University (CZ) Acetylleucine_2TMS
69 5.591406407464446 CC BY-NC 7.443092425772042 Price et al., RECETOX, Masaryk University (CZ) Homoveratric_acid_1TMS
70 6.073539572838829 CC BY-NC 7.562738907397138 Price et al., RECETOX, Masaryk University (CZ) Mannitol_6TMS
71 5.403322354013204 CC BY-NC 7.186695250377075 Price et al., RECETOX, Masaryk University (CZ) Thymol_1TMS
72 6.00681179825331 CC BY-NC 7.701887868362464 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_3TMS
73 5.802545444290997 CC BY-NC 7.674974145323176 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_2TMS
74 5.935182540287654 CC BY-NC 7.457926031238423 Price et al., RECETOX, Masaryk University (CZ) trans-Aconitic acid_3TMS
75 6.149275192511236 CC BY-NC 8.091009528678489 Price et al., RECETOX, Masaryk University (CZ) Ergosterol_1TMS
76 5.6244119410230695 CC BY-NC 7.259321596079298 Price et al., RECETOX, Masaryk University (CZ) 3-Methylglutaric acid_2TMS
77 5.981901441023625 CC BY-NC 7.442768021744479 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS
78 6.024331705650167 CC BY-NC 8.101804406099694 Price et al., RECETOX, Masaryk University (CZ) Cholestenone
79 6.073538674665655 CC BY-NC 7.56679795623863 Price et al., RECETOX, Masaryk University (CZ) Sorbitol_6TMS
80 5.595227083035189 CC BY-NC 7.169727158784526 Price et al., RECETOX, Masaryk University (CZ) Isoleucine_2TMS
81 6.140343929454998 CC BY-NC 7.529344157292722 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 1
82 6.3194454952772325 CC BY-NC 7.534606127693442 Price et al., RECETOX, Masaryk University (CZ) Fructose_5TMS isomer 2
83 5.517692466159171 CC BY-NC 7.208306438373281 Price et al., RECETOX, Masaryk University (CZ) Fumaric acid_2TMS
84 6.148809092540735 CC BY-NC 7.496246695488495 Price et al., RECETOX, Masaryk University (CZ) Isocitric acid_4TMS
85 5.318608550951343 CC BY-NC 7.128322714958739 Price et al., RECETOX, Masaryk University (CZ) Urea_2TMS
86 5.620945391349198 CC BY-NC 7.089789294440044 Price et al., RECETOX, Masaryk University (CZ) Urea_3TMS
87 6.466597125776635 CC BY-NC 7.9233507472402325 Price et al., RECETOX, Masaryk University (CZ) Guanosine_5TMS
88 5.916706840845839 CC BY-NC 7.557218038852786 Price et al., RECETOX, Masaryk University (CZ) Histidine_3TMS
89 6.094082866379665 CC BY-NC 7.671764849057338 Price et al., RECETOX, Masaryk University (CZ) Histidine_4TMS
90 6.043094912180826 CC BY-NC 7.40279414504269 Price et al., RECETOX, Masaryk University (CZ) Xylose_4TMS
91 5.247394792908741 CC BY-NC 7.146545382082515 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_1TMS
92 5.9717967732186725 CC BY-NC 7.570539123750196 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_3TMS
93 5.9510594708735525 CC BY-NC 7.504355765569113 Price et al., RECETOX, Masaryk University (CZ) 3,4-Dihydroxybenzeneacetic acid_3TMS
94 6.1659925840006045 CC BY-NC 7.533817766324432 Price et al., RECETOX, Masaryk University (CZ) Glycylleucine_4TMS
95 5.762546354601034 CC BY-NC 7.649140090140571 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_2TMS
96 5.964066011808661 CC BY-NC 7.625105684108984 Price et al., RECETOX, Masaryk University (CZ) Indole-3-acetamide_3TMS
97 6.254551819373102 CC BY-NC 8.098847989888764 Price et al., RECETOX, Masaryk University (CZ) Lithocholic acid_2TMS
98 6.140343929454998 CC BY-NC 7.532979016013151 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 1
99 5.99689114644788 CC BY-NC 7.547010000777728 Price et al., RECETOX, Masaryk University (CZ) Allose_5TMS isomer 2
100 5.966754016232079 CC BY-NC 7.729412202261381 Price et al., RECETOX, Masaryk University (CZ) Tetradecanedioic acid_2TMS
101 6.390896894653939 CC BY-NC 8.217890527335376 Price et al., RECETOX, Masaryk University (CZ) Deoxycholic acid_3TMS
102 5.981900608095871 CC BY-NC 7.442323991512667 Price et al., RECETOX, Masaryk University (CZ) Arabitol_5TMS
103 6.1293637774508865 CC BY-NC 7.506690126882987 Price et al., RECETOX, Masaryk University (CZ) Phosphoserine_4TMS
104 5.820417384801993 CC BY-NC 7.2993486174365945 Price et al., RECETOX, Masaryk University (CZ) Malic acid_3TMS
105 5.545589586100036 CC BY-NC 7.2009590786006 Price et al., RECETOX, Masaryk University (CZ) Uracil_2TMS
106 6.319425720740093 CC BY-NC 7.873492340654345 Price et al., RECETOX, Masaryk University (CZ) Adenosine_4TMS
107 6.441417083817607 CC BY-NC 7.89908854616979 Price et al., RECETOX, Masaryk University (CZ) Adenosine_5TMS
108 5.7837832122182355 CC BY-NC 7.562722804299915 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_2TMS
109 6.165914789562133 CC BY-NC 7.522961458401957 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_4TMS
110 5.730591123285112 CC BY-NC 7.330518573701797 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_3TMS
111 5.996412460968185 CC BY-NC 7.464505250098798 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamine_3TMS
112 5.5098657530110104 CC BY-NC 7.145010786590933 Price et al., RECETOX, Masaryk University (CZ) gamma-Aminobutyric acid_2TMS
113 5.3895566350619974 CC BY-NC 7.056535564019391 Price et al., RECETOX, Masaryk University (CZ) Sarcosine_2TMS
114 5.568744881614453 CC BY-NC 7.111982641997003 Price et al., RECETOX, Masaryk University (CZ) 2-Methylmalonic acid_2TMS
115 5.6099157259371495 CC BY-NC 7.325318903988238 Price et al., RECETOX, Masaryk University (CZ) Pyroglutamic acid_2TMS
116 5.96913202231815 CC BY-NC 7.411080646010628 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_3TMS
117 5.799399455877007 CC BY-NC 7.416330973554631 Price et al., RECETOX, Masaryk University (CZ) Taurine_3TMS
118 6.230988464692871 CC BY-NC 7.64075470400671 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_4TMS
119 6.146665218358406 CC BY-NC 7.495838011163125 Price et al., RECETOX, Masaryk University (CZ) Citric acid_4TMS
120 6.365256446525271 CC BY-NC 7.634795061177712 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 1
121 5.919239170988552 CC BY-NC 7.455876687491824 Price et al., RECETOX, Masaryk University (CZ) Orotic acid_3TMS
122 6.073509725421313 CC BY-NC 7.645418741770609 Price et al., RECETOX, Masaryk University (CZ) Acetylgalactosamine_5TMS isomer 2
123 5.922122936247095 CC BY-NC 7.5003746917680605 Price et al., RECETOX, Masaryk University (CZ) Arginine_3TMS
124 6.290185404861111 CC BY-NC 8.172404468490644 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 1
125 6.474551033837036 CC BY-NC 8.18248240253468 Price et al., RECETOX, Masaryk University (CZ) Maltotriose_11TMS isomer 2
126 6.016578948781611 CC BY-NC 7.344863100622026 Price et al., RECETOX, Masaryk University (CZ) Threonic acid_4TMS
127 5.783837674559401 CC BY-NC 7.232668827751491 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 2
128 5.811662952540487 CC BY-NC 7.541303717580918 Price et al., RECETOX, Masaryk University (CZ) Sebacid acid_2TMS
129 5.743357195654131 CC BY-NC 7.377698281390103 Price et al., RECETOX, Masaryk University (CZ) Hypotaurine_3TMS
130 5.80850953972656 CC BY-NC 7.63263026701345 Price et al., RECETOX, Masaryk University (CZ) Kynurenic acid_2TMS
131 5.966706787395583 CC BY-NC 7.468219849456866 Price et al., RECETOX, Masaryk University (CZ) Theanine_3TMS
132 5.76261286034227 CC BY-NC 7.477586709107216 Price et al., RECETOX, Masaryk University (CZ) Theanine_2TMS
133 5.7401561259518905 CC BY-NC 7.433156954084458 Price et al., RECETOX, Masaryk University (CZ) 4-Methoxymandelic acid_2TMS
134 6.001993868729483 CC BY-NC 7.649300642134868 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_3TMS
135 6.165992521011605 CC BY-NC 7.63181568394551 Price et al., RECETOX, Masaryk University (CZ) Acetyllysine_4TMS
136 5.698054232894448 CC BY-NC 7.6606269116213985 Price et al., RECETOX, Masaryk University (CZ) Methyl stearate
137 5.811695001162469 CC BY-NC 7.4489620851889615 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_3TMS
138 5.6174010083221 CC BY-NC 7.306107819309433 Price et al., RECETOX, Masaryk University (CZ) 6-Aminocaproic acid_2TMS
139 5.720771933014293 CC BY-NC 7.430670923030336 Price et al., RECETOX, Masaryk University (CZ) Suberic acid_2TMS
140 5.455779172826522 CC BY-NC 7.35533051161476 Price et al., RECETOX, Masaryk University (CZ) alpha-Methylcinammic acid_1TMS
141 5.525325201890064 CC BY-NC 7.17649150699446 Price et al., RECETOX, Masaryk University (CZ) Maleic acid_2TMS
142 5.8115859538471675 CC BY-NC 7.321936292988055 Price et al., RECETOX, Masaryk University (CZ) Hydroxyproline_3TMS
143 6.212437103517224 CC BY-NC 7.72855617491477 Price et al., RECETOX, Masaryk University (CZ) Cystine_4TMS
144 5.56125696547891 CC BY-NC 7.182998559427973 Price et al., RECETOX, Masaryk University (CZ) Norleucine_2TMS
145 5.796595326610324 CC BY-NC 7.342917691066899 Price et al., RECETOX, Masaryk University (CZ) Creatinine_3TMS
146 5.823449039061796 CC BY-NC 7.638965772396737 Price et al., RECETOX, Masaryk University (CZ) Ferulic acid_2TMS
147 5.572511838879745 CC BY-NC 7.241425020852249 Price et al., RECETOX, Masaryk University (CZ) Glutaric acid_2TMS
148 5.680614763811954 CC BY-NC 7.318835923742583 Price et al., RECETOX, Masaryk University (CZ) Methionine_2TMS
149 5.829362442491351 CC BY-NC 7.729723023617003 Price et al., RECETOX, Masaryk University (CZ) Cysteine_4TMS
150 5.814694343002923 CC BY-NC 7.341328947300534 Price et al., RECETOX, Masaryk University (CZ) Cysteine_3TMS
151 5.720829839111167 CC BY-NC 7.2587684251501585 Price et al., RECETOX, Masaryk University (CZ) beta-Alanine_3TMS
152 5.572535822404471 CC BY-NC 7.423154030043247 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_1TMS
153 5.814323289365541 CC BY-NC 7.410541876188659 Price et al., RECETOX, Masaryk University (CZ) Acetylmethionine_2TMS
154 6.073650479510657 CC BY-NC 7.553975408698645 Price et al., RECETOX, Masaryk University (CZ) Lysine_4TMS
155 5.892261949163563 CC BY-NC 7.431136747191919 Price et al., RECETOX, Masaryk University (CZ) Lysine_3TMS
156 5.9432293351740695 CC BY-NC 7.475568802051299 Price et al., RECETOX, Masaryk University (CZ) Methionine sulfoxide_3TMS
157 5.564936221243243 CC BY-NC 7.111539848574915 Price et al., RECETOX, Masaryk University (CZ) Valine_2TMS
158 5.9665532462320705 CC BY-NC 7.541097251914125 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 1
159 5.961372591765578 CC BY-NC 7.561556458540607 Price et al., RECETOX, Masaryk University (CZ) Glucuro-3,6-lactone_3TMS isomer 2
160 6.1119515016564225 CC BY-NC 7.869008286571374 Price et al., RECETOX, Masaryk University (CZ) Sucrose_8TMS
161 5.587674223265387 CC BY-NC 7.198648689563602 Price et al., RECETOX, Masaryk University (CZ) Itaconic acid_2TMS
162 6.136018857287556 CC BY-NC 7.485983630626593 Price et al., RECETOX, Masaryk University (CZ) Shikimic acid_4TMS
163 6.151097635318487 CC BY-NC 7.574898775372847 Price et al., RECETOX, Masaryk University (CZ) Epinepherine_4TMS
164 5.720844650998074 CC BY-NC 7.541002762404248 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_2TMS
165 5.447234877200251 CC BY-NC 7.507483140932446 Price et al., RECETOX, Masaryk University (CZ) Tryptophol_1TMS
166 5.948477998087316 CC BY-NC 7.562968478194248 Price et al., RECETOX, Masaryk University (CZ) Tyrosine_3TMS
167 6.038179607356801 CC BY-NC 7.629679888629954 Price et al., RECETOX, Masaryk University (CZ) 3-Chlorotyrosine_3TMS
168 5.434214545990755 CC BY-NC 7.327909308054251 Price et al., RECETOX, Masaryk University (CZ) Acetylproline_1TMS
169 5.743389971973202 CC BY-NC 7.465452083989888 Price et al., RECETOX, Masaryk University (CZ) Vanillic acid_2TMS
170 5.814656035514857 CC BY-NC 7.2712720640557205 Price et al., RECETOX, Masaryk University (CZ) Homoserine_3TMS
171 6.001763653765461 CC BY-NC 7.413727946180129 Price et al., RECETOX, Masaryk University (CZ) Homoserine_4TMS
172 5.95105970515083 CC BY-NC 7.502967638378061 Price et al., RECETOX, Masaryk University (CZ) Homogentisic acid_3TMS
173 6.037858604810507 CC BY-NC 7.826151792141778 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_4TMS
174 5.861222680911009 CC BY-NC 7.406090622953927 Price et al., RECETOX, Masaryk University (CZ) Homocysteine_3TMS
175 6.1402936280260985 CC BY-NC 7.566522172601303 Price et al., RECETOX, Masaryk University (CZ) Ascorbic acid_4TMS
176 6.212342654240223 CC BY-NC 7.91132951748196 Price et al., RECETOX, Masaryk University (CZ) Spermine_6TMS
177 6.359807232444394 CC BY-NC 7.71348622460774 Price et al., RECETOX, Masaryk University (CZ) Spermine_derivative
178 6.182930664665006 CC BY-NC 8.095722474205822 Price et al., RECETOX, Masaryk University (CZ) Stigmasterol_1TMS
179 5.2682691055410915 CC BY-NC 7.519690777217168 Price et al., RECETOX, Masaryk University (CZ) Caffeine
180 6.232888057242972 CC BY-NC 7.638908974316304 Price et al., RECETOX, Masaryk University (CZ) Myo-inositol_6TMS
181 5.171019874156558 CC BY-NC 7.440856352450208 Price et al., RECETOX, Masaryk University (CZ) Cotinine
182 5.91963806652581 CC BY-NC 7.986405307613439 Price et al., RECETOX, Masaryk University (CZ) Progesterone
183 5.583878378640857 CC BY-NC 7.490651672642311 Price et al., RECETOX, Masaryk University (CZ) Acetylphenylalanine_1TMS
184 5.861265083153237 CC BY-NC 7.4807869557957005 Price et al., RECETOX, Masaryk University (CZ) Acetylalanine_2TMS
185 6.122900708768314 CC BY-NC 7.639746659515479 Price et al., RECETOX, Masaryk University (CZ) Uric acid_4TMS
186 5.564820745358473 CC BY-NC 7.204140370063054 Price et al., RECETOX, Masaryk University (CZ) Citraconic acid_2TMS
187 5.749671577671212 CC BY-NC 7.443536115002531 Price et al., RECETOX, Masaryk University (CZ) Quinolinic aicd_2TMS
188 6.004335164226891 CC BY-NC 7.45975182838484 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_3TMS
189 5.7686825554232115 CC BY-NC 7.472925327699176 Price et al., RECETOX, Masaryk University (CZ) Acetylglutamic acid_2TMS
190 6.14042750824723 CC BY-NC 7.802272683004733 Price et al., RECETOX, Masaryk University (CZ) Serotonin_4TMS
191 5.966652098587573 CC BY-NC 7.813602870592511 Price et al., RECETOX, Masaryk University (CZ) Serotonin_3TMS
192 5.9084941036288265 CC BY-NC 7.600329295314845 Price et al., RECETOX, Masaryk University (CZ) Xanthine_3TMS
193 5.730534655935087 CC BY-NC 7.2104624078207475 Price et al., RECETOX, Masaryk University (CZ) Serine_3TMS
194 5.940628832225486 CC BY-NC 7.352390457935642 Price et al., RECETOX, Masaryk University (CZ) Serine_4TMS
195 6.136038134062968 CC BY-NC 7.767387613163902 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_3TMS
196 5.966605966995763 CC BY-NC 7.790687346273501 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 1
197 6.221046924618429 CC BY-NC 7.815897703383271 Price et al., RECETOX, Masaryk University (CZ) Tryptophan_derivative
198 5.956219317238881 CC BY-NC 7.836685791202728 Price et al., RECETOX, Masaryk University (CZ) Acetyltryptophan_2TMS isomer 2
199 5.717592706234613 CC BY-NC 7.575922543183935 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_2TMS
200 6.16332196190376 CC BY-NC 7.667376294251658 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_derivative
201 5.883401187611959 CC BY-NC 7.695234888776795 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS
202 5.924795918902335 CC BY-NC 7.701104744372277 Price et al., RECETOX, Masaryk University (CZ) Tryptamine_3TMS
203 6.031301008149617 CC BY-NC 7.895078028537421 Price et al., RECETOX, Masaryk University (CZ) Estradiol_2TMS
204 6.026446529907696 CC BY-NC 7.907403955515346 Price et al., RECETOX, Masaryk University (CZ) Dehydroestradiol_2TMS
205 6.054910244768938 CC BY-NC 7.684429397920299 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_3TMS
206 6.183357443805193 CC BY-NC 7.662932211347891 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_4TMS
207 5.894874018006195 CC BY-NC 7.380139198088924 Price et al., RECETOX, Masaryk University (CZ) Glutamic acid_3TMS spectra 1
208 5.79386446581447 CC BY-NC 7.616654738377531 Price et al., RECETOX, Masaryk University (CZ) Palmitic acid_1TMS
209 5.858347754239388 CC BY-NC 7.672888181314703 Price et al., RECETOX, Masaryk University (CZ) Kynurenine_2TMS
210 5.831933590346724 CC BY-NC 7.66876903032379 Price et al., RECETOX, Masaryk University (CZ) 1-Octadecanol_1TMS
211 6.087295886539579 CC BY-NC 7.632351222255477 Price et al., RECETOX, Masaryk University (CZ) Dopamine_4TMS
212 5.911128892362975 CC BY-NC 7.497479510034497 Price et al., RECETOX, Masaryk University (CZ) Dopamine_3TMS
213 5.916814705092377 CC BY-NC 7.897537335779328 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS
214 5.835397903827743 CC BY-NC 7.882052620432067 Price et al., RECETOX, Masaryk University (CZ) Estrone_1TMS
215 6.009246187506765 CC BY-NC 7.69444516919998 Price et al., RECETOX, Masaryk University (CZ) 5-Hydroxyindole-3-acetic acid_3TMS
216 6.252291784800933 CC BY-NC 7.794464356353637 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 1
217 6.248437342150383 CC BY-NC 7.815366452229969 Price et al., RECETOX, Masaryk University (CZ) Uridine_4TMS isomer 2
218 5.787705858142249 CC BY-NC 7.607030146859702 Price et al., RECETOX, Masaryk University (CZ) Palmitoleic acid_1TMS
219 5.505875818677941 CC BY-NC 7.126494746540723 Price et al., RECETOX, Masaryk University (CZ) Norvaline_2TMS
220 5.777767672606812 CC BY-NC 7.2929993122571615 Price et al., RECETOX, Masaryk University (CZ) Norvaline_3TMS
221 5.564972680510682 CC BY-NC 7.543086888645256 Price et al., RECETOX, Masaryk University (CZ) Methyl-3-indolylacetate_1TMS
222 6.187084022520295 CC BY-NC 8.114401007860318 Price et al., RECETOX, Masaryk University (CZ) beta-Sitosterol_1TMS
223 5.6840354458143985 CC BY-NC 7.39176597463856 Price et al., RECETOX, Masaryk University (CZ) Phenylalanine_2TMS
224 6.133291855146337 CC BY-NC 7.55367667109862 Price et al., RECETOX, Masaryk University (CZ) Homocitrulline_4TMS
225 5.627998776180131 CC BY-NC 7.311450154486059 Price et al., RECETOX, Masaryk University (CZ) Acetylserine_2TMS
226 6.1233219393754155 CC BY-NC 8.077302152790525 Price et al., RECETOX, Masaryk University (CZ) 7-Dehydrocholesterol_1TMS
227 5.60241493939391 CC BY-NC 7.317865581450027 Price et al., RECETOX, Masaryk University (CZ) Salicylic acid_2TMS
228 6.323635134172624 CC BY-NC 7.895359653935039 Price et al., RECETOX, Masaryk University (CZ) Cytidine_5TMS
229 5.884151292763054 CC BY-NC 7.712317708253459 Price et al., RECETOX, Masaryk University (CZ) Stearic acid_1TMS
230 5.631689123073033 CC BY-NC 7.531934944876501 Price et al., RECETOX, Masaryk University (CZ) Adenine_2TMS
231 6.144677658984307 CC BY-NC 7.541419935283871 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 1
232 5.861277612685916 CC BY-NC 7.562905117764789 Price et al., RECETOX, Masaryk University (CZ) Adenine_3TMS
233 6.174293974913619 CC BY-NC 7.553443384080875 Price et al., RECETOX, Masaryk University (CZ) Galactose_5TMS isomer 2
234 5.778059918163128 CC BY-NC 7.495443050105538 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_2TMS
235 5.472567226334043 CC BY-NC 7.519017013401764 Price et al., RECETOX, Masaryk University (CZ) Hippuric acid_1TMS
236 6.128991493739826 CC BY-NC 7.486502881033585 Price et al., RECETOX, Masaryk University (CZ) 2-Deoxyglucose_4TMS
237 5.883641028524949 CC BY-NC 7.458511940484235 Price et al., RECETOX, Masaryk University (CZ) 2,3-Dihydroxybenzoic acid_3TMS
238 6.149276622979437 CC BY-NC 8.023946482499491 Price et al., RECETOX, Masaryk University (CZ) Ergocalciferol_TMS
239 5.5993688068926915 CC BY-NC 7.562887459224859 Price et al., RECETOX, Masaryk University (CZ) Methyl palmitate
240 5.557132725709455 CC BY-NC 7.34719982462169 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 2
241 5.545641789779595 CC BY-NC 7.267427028011493 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_2TMS isomer 1
242 5.80255676869465 CC BY-NC 7.330538230519962 Price et al., RECETOX, Masaryk University (CZ) Maleamic acid_3TMS
243 6.144679031698347 CC BY-NC 7.5447775114923505 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 1
244 6.10528215305238 CC BY-NC 7.555399735814079 Price et al., RECETOX, Masaryk University (CZ) Glucose_5TMS isomer 2
245 5.855519529747611 CC BY-NC 7.320116553778143 Price et al., RECETOX, Masaryk University (CZ) Aspartic acid_3TMS isomer
246 6.219437358750709 CC BY-NC 8.054241439135854 Price et al., RECETOX, Masaryk University (CZ) alpha-Tocopherol_1TMS
247 6.219261255674836 CC BY-NC 7.71891480223893 Price et al., RECETOX, Masaryk University (CZ) Spermidine_5TMS
248 6.04918700878748 CC BY-NC 7.695823472721807 Price et al., RECETOX, Masaryk University (CZ) Spermidine_4TMS
249 5.54171066087357 CC BY-NC 7.325021150051998 Price et al., RECETOX, Masaryk University (CZ) Cytosine_2TMS
250 5.7904526184324 CC BY-NC 7.3908558920825635 Price et al., RECETOX, Masaryk University (CZ) Cytosine_3TMS
251 6.1361244747453325 CC BY-NC 7.523183050918009 Price et al., RECETOX, Masaryk University (CZ) Glycylvaline_4TMS
252 5.635208265517937 CC BY-NC 7.496878272821101 Price et al., RECETOX, Masaryk University (CZ) Hypoxanthine_2TMS
253 6.033820939836982 CC BY-NC 7.9557663144487005 Price et al., RECETOX, Masaryk University (CZ) Pregnenolone_1TMS
254 6.155292819042708 CC BY-NC 7.64424303976102 Price et al., RECETOX, Masaryk University (CZ) Levodopa_4TMS
255 5.412033119791722 CC BY-NC 7.284711853123896 Price et al., RECETOX, Masaryk University (CZ) 2-Methoxybenzoic acid_1TMS
256 6.275208475238837 CC BY-NC 7.891096624046824 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 1
257 6.32421325284146 CC BY-NC 7.907504048874567 Price et al., RECETOX, Masaryk University (CZ) 5-Methylcytidine_4TMS isomer 2
258 5.7239115845988335 CC BY-NC 7.404989760176127 Price et al., RECETOX, Masaryk University (CZ) Acetylaspartic acid_2TMS
259 5.7750136437295385 CC BY-NC 7.231235628188782 Price et al., RECETOX, Masaryk University (CZ) Threonine_3TMS spectra 1
260 5.78985628170891 CC BY-NC 7.406477551809707 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 2
261 5.79600173095921 CC BY-NC 7.391291305911426 Price et al., RECETOX, Masaryk University (CZ) 2-Oxoadipic acid_2TMS isomer 1
262 6.24847144803485 CC BY-NC 7.894002950813195 Price et al., RECETOX, Masaryk University (CZ) Cytidine_4TMS
263 6.123321983198713 CC BY-NC 8.08950640045489 Price et al., RECETOX, Masaryk University (CZ) Dehydrocholesterol_1TMS
264 6.144962285243773 CC BY-NC 8.09839448465337 Price et al., RECETOX, Masaryk University (CZ) Dehydroergosterol_1TMS
265 6.1188952495575615 CC BY-NC 8.084113177475066 Price et al., RECETOX, Masaryk University (CZ) Cholestatrienol_1TMS
266 5.553325719436582 CC BY-NC 7.173240821036828 Price et al., RECETOX, Masaryk University (CZ) Proline_2TMS