Mercurial > repos > fgiacomoni > bih4bloodexposome

annotate test-data/outTab_test01.tabular @ 0:94eeed7f737f draft default tip

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planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
author fgiacomoni
date Fri, 27 Nov 2020 10:06:35 +0000
parents
children
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94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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1 _MESURED_MONOISOTOPIC_MASS_ _PPM_ERROR_ _COMPUTED_MONOISOTOPIC_MASS_ _ANNOTATION_NAME_ _ANNOTATION_TYPE_ _ANNOTATION_IN_NEG_MODE_ _ANNOTATION_IN_POS_MODE_ _ANNOTATION_FORMULA_
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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2 163.0600211 0 163.060 617-57-2 NA NA NA NA
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fgiacomoni
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3 203.0525999 4.9 203.052 2-Naphthylthiolacetate NA NA NA NA
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4 441.0747851 0 0 NA NA NA NA NA
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5 442.0782549 0 0 NA NA NA NA NA
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6 55.01752528 0 0 NA NA NA NA NA
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7 261.1445305 3.8 261.144 Leu-Glu NA NA NA NA
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8 499.0334405 0 0 NA NA NA NA NA
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9 261.0112717 0 0 NA NA NA NA NA
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fgiacomoni
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10 223.0924754 0 223.092 "l-glutamic acid glycine" NA NA NA NA
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fgiacomoni
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11 130.0862383 0 130.086 cycloleucine NA NA NA NA
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12 351.1263073 0 351.126 "Estrone sulfate" NA NA NA NA
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13 295.1289569 0 295.129 aspartame NA NA NA NA
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fgiacomoni
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14 247.1288408 0 247.129 Ile-Asp NA NA NA NA
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15 501.0308336 0 0 NA NA NA NA NA
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16 286.1320163 0 0 NA NA NA NA NA
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fgiacomoni
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17 520.3397216 0 520.34 1-Linoleoylglycerophosphocholine NA NA NA NA
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18 118.0862558 0 118.086 L-valine NA NA NA NA
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19 187.0576896 0 0 NA NA NA NA NA
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20 132.1018003 0 132.102 L-leucine NA NA NA NA
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21 558.2953679 1.8 558.296 PD-140723 NA NA NA NA
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fgiacomoni
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22 263.0085388 0 263.009 O-Mustard NA NA NA NA
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23 540.3165587 0 0 NA NA NA NA NA
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fgiacomoni
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24 232.1543851 0 232.154 O-Butanoylcarnitine NA NA NA NA
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25 546.7961664 0 0 NA NA NA NA NA
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fgiacomoni
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26 357.2788908 0 357.279 "6,9,12,15,18,21-Tetracosahexaenoic acid" NA NA NA NA
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27 508.3776335 3.9 508.376 PC(O-18:1(11Z)/0:0) NA NA NA NA
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28 302.6499465 0 0 NA NA NA NA NA
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29 663.2685122 0 0 NA NA NA NA NA
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30 682.2420345 0 0 NA NA NA NA NA
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fgiacomoni
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31 467.8124249 0 0 NA NA NA NA NA
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32 646.7104123 0 0 NA NA NA NA NA
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33 657.6994811 0 0 NA NA NA NA NA
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34 76.03912315 0 76.039 glycine NA NA NA NA
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35 690.2267099 0 0 NA NA NA NA NA
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fgiacomoni
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36 665.1818291 0 0 NA NA NA NA NA
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fgiacomoni
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37 638.7257377 0 0 NA NA NA NA NA
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fgiacomoni
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38 120.0654827 0 120.065 L-threonine NA NA NA NA
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39 282.651664 0 0 NA NA NA NA NA
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40 541.3294815 5.5 541.332 Diaethiphenum NA NA NA NA
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fgiacomoni
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41 619.7522549 0 0 NA NA NA NA NA
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fgiacomoni
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42 277.1222795 3.6 277.123 Etintidine NA NA NA NA
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fgiacomoni
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43 480.3448707 0 480.345 PC(O-16:1(11Z)/0:0) NA NA NA NA
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fgiacomoni
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44 118.0862318 0 118.086 L-valine NA NA NA NA
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45 132.101802 0 132.102 L-leucine NA NA NA NA
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fgiacomoni
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46 482.3604772 0 482.360 1-hexadecyl-sn-glycero-3-phosphocholine NA NA NA NA
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fgiacomoni
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47 281.6627059 0 0 NA NA NA NA NA
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48 205.0573067 0 0 NA NA NA NA NA
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fgiacomoni
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49 276.9851713 0 276.985 "3,5-Bis(trifluoromethyl)benzoyl chloride" NA NA NA NA
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fgiacomoni
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50 520.3397934 0 520.34 1-Linoleoylglycerophosphocholine NA NA NA NA
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fgiacomoni
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51 323.0025784 0 0 NA NA NA NA NA
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fgiacomoni
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52 337.1120525 0 0 NA NA NA NA NA
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fgiacomoni
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53 438.8017061 0 0 NA NA NA NA NA
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54 486.1910499 0 0 NA NA NA NA NA
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55 558.9893584 0 0 NA NA NA NA NA
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56 548.8119189 0 0 NA NA NA NA NA
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fgiacomoni
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57 506.3606561 2.0 506.360 PC(P-18:1(9Z)/0:0) NA NA NA NA
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fgiacomoni
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58 565.225847 0 0 NA NA NA NA NA
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59 72.080525 0 0 NA NA NA NA NA
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60 321.6673244 0 0 NA NA NA NA NA
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61 505.1644212 0 505.164 PM-10 NA NA NA NA
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fgiacomoni
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62 210.0437419 4.8 210.043 "cysteine lactate" NA NA NA NA
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fgiacomoni
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63 390.1358901 0 0 NA NA NA NA NA
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fgiacomoni
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64 137.5971647 0 0 NA NA NA NA NA
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fgiacomoni
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65 225.9869922 4.4 225.986 3-Bromocinnamamide NA NA NA NA
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fgiacomoni
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66 310.1615467 0 310.162 Metixene NA NA NA NA
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fgiacomoni
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67 570.3553711 0 570.355 1-osbondoyl-glycero-3-phosphocholine NA NA NA NA
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fgiacomoni
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68 152.0366063 0 0 NA NA NA NA NA
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fgiacomoni
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69 542.3327789 0 0 NA NA NA NA NA
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70 116.0705554 0 116.071 L-prolinium NA NA NA NA
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71 105.0038616 0 0 NA NA NA NA NA
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72 128.0194748 0 0 NA NA NA NA NA
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73 110.0085433 0 0 NA NA NA NA NA
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fgiacomoni
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74 522.3554426 0 522.355 LysoPC(18:1(11Z)) NA NA NA NA
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fgiacomoni
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75 524.371144 0 524.371 "Platelet activating factor" NA NA NA NA
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fgiacomoni
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76 556.9920524 0 0 NA NA NA NA NA
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77 310.2014857 0 310.201 Metipranolol NA NA NA NA
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78 170.066114 0 0 NA NA NA NA NA
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79 290.6682628 0 0 NA NA NA NA NA
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80 313.1603103 0 0 NA NA NA NA NA
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81 62.5241145 0 0 NA NA NA NA NA
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82 267.0427295 0 0 NA NA NA NA NA
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83 389.8019187 0 0 NA NA NA NA NA
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84 553.8317957 0 0 NA NA NA NA NA
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fgiacomoni
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85 568.3396938 1.8 568.339 "lysoPC 22:6" NA NA NA NA
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fgiacomoni
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86 551.8313241 0 0 NA NA NA NA NA
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87 62.02349536 0 0 NA NA NA NA NA
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88 268.1544071 0 268.154 Diethofencarb NA NA NA NA
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fgiacomoni
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89 82.01370683 0 0 NA NA NA NA NA
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90 66.01854141 0 0 NA NA NA NA NA
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fgiacomoni
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91 291.140918 0 291.14 "Toluylene blue" NA NA NA NA
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fgiacomoni
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92 429.1696046 0 0 NA NA NA NA NA
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93 290.1431152 3.4 290.142 Chloropyramine NA NA NA NA
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94 290.6396364 0 0 NA NA NA NA NA
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95 228.9558107 0 228.956 146847-76-9 NA NA NA NA
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fgiacomoni
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96 550.8281876 0 0 NA NA NA NA NA
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97 311.6638456 0 0 NA NA NA NA NA
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98 102.5529262 0 0 NA NA NA NA NA
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99 330.2462958 0 0 NA NA NA NA NA
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fgiacomoni
parents:
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100 55.05392711 0 55.054 1,3-BUTADIENE NA NA NA NA
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101 224.9902413 0 0 NA NA NA NA NA
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102 504.3085371 2.0 504.308 LysoPE(0:0/20:3(11Z,14Z,17Z)) NA NA NA NA
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fgiacomoni
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103 73.53153592 0 0 NA NA NA NA NA
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104 552.3316931 0 0 NA NA NA NA NA
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105 311.1625016 3.2 311.164 Avobenzone NA NA NA NA
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106 320.1680163 0 0 NA NA NA NA NA