Mercurial > repos > fgiacomoni > bih4bloodexposome

annotate test-data/outTab_test03.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
parents:
diff changeset
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
parents:
diff changeset
2 44.9981010714674 0 44.998 "carbonyl oxide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
3 44.9981024029652 0 44.998 "carbonyl oxide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
4 44.998112256197 0 44.998 "carbonyl oxide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
5 57.034452592233 0 0 NA NA NA NA NA
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fgiacomoni
parents:
diff changeset
6 59.0137157156687 0 59.014 Dioxetane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
7 59.0137129234658 0 59.014 Dioxetane NA NA NA NA
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fgiacomoni
parents:
diff changeset
8 61.9882231262141 0 61.988 nitrate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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9 71.0137007829942 0 71.014 beta-propiolactone NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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10 71.0136946160437 0 71.014 beta-propiolactone NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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11 72.9929608377945 0 72.993 glyoxylate NA NA NA NA
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fgiacomoni
parents:
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12 73.0293713662007 0 0 NA NA NA NA NA
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fgiacomoni
parents:
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13 74.0246025925501 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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14 75.0086106690331 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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15 78.9187053591132 0 78.919 "HYDROBROMIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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16 78.9589162539509 0 78.959 3'-phosphate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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17 79.9572959941509 0 79.957 sulfite NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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18 79.9572310694573 0 79.957 sulfite NA NA NA NA
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fgiacomoni
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19 79.9572880455522 0 79.957 sulfite NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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20 80.9166655796872 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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21 80.9651104476057 0 80.965 "Sulfurous acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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22 80.9651013882625 0 80.965 "Sulfurous acid" NA NA NA NA
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fgiacomoni
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23 81.9530797119079 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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24 83.0136891059481 0 83.014 Diketene NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
25 85.0294297586598 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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26 85.0293725062826 0 85.029 3-butenoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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27 87.0086460018205 0 87.009 "Pyruvic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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28 87.0086526449711 0 87.009 "Pyruvic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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29 89.0243383657739 0 89.024 lactate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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30 92.0505198760292 0 0 NA NA NA NA NA
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fgiacomoni
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31 92.9279108951961 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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32 93.0345323486836 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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33 93.0345445892518 0 93.035 phenol NA NA NA NA
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fgiacomoni
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34 93.0345350324757 0 93.035 phenol NA NA NA NA
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fgiacomoni
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35 93.0345395431159 0 93.035 phenol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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36 93.0345431859462 0 93.035 phenol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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37 94.0379172370326 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
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38 94.9249599715485 0 94.925 "NICKEL FLUORIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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39 94.9807499641041 0 94.981 "METHANESULFONIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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40 95.0138235296212 0 95.014 4H-PYRAN-4-ONE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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41 96.9600605566796 0 96.96 "Hydrogen sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
42 96.9600063916444 0 96.96 "Hydrogen sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
43 97.0294218022774 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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44 97.06583923027 0 97.066 1,4-Epoxycyclohexane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
45 97.065839236744 0 97.066 1,4-Epoxycyclohexane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
46 97.9596253044044 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
47 98.9558203687128 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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48 99.0087325520409 0 99.009 "SUCCINIC ANHYDRIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
49 99.0087063033363 0 99.009 "SUCCINIC ANHYDRIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
50 99.0087341617355 0 99.009 "SUCCINIC ANHYDRIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
51 99.0087477463612 0 99.009 "SUCCINIC ANHYDRIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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52 99.0450857042339 0 99.045 "4-PENTENOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
53 100.003991072102 0 100.004 2,4-Oxazolidinedione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
54 100.003991859948 0 100.004 2,4-Oxazolidinedione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
55 100.003986502705 0 100.004 2,4-Oxazolidinedione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
56 100.004001324001 0 100.004 2,4-Oxazolidinedione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
57 101.024326693735 0 101.024 2-ketobutyrate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
58 101.024352919301 0 101.024 2-ketobutyrate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
59 101.024389681354 0 101.024 2-ketobutyrate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
60 102.027741268839 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
61 102.034869590296 0 102.035 BENZONITRILE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
62 103.003597070732 0 103.004 "malonic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
63 103.039999368825 0 103.040 "3-hydroxybutyric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
64 105.019241112063 0 105.019 D-glycerate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
65 106.980769947197 0 106.981 "VINYLSULFONIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
66 107.050206758777 0 0 NA NA NA NA NA
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fgiacomoni
parents:
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67 107.050212434993 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
68 107.0502067679 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
69 107.050200728478 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
70 107.050199341515 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
71 107.050229980545 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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72 108.021673428965 0 108.022 p-Benzosemiquinone NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
73 108.045433551196 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
74 108.053580802204 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
75 109.029474109318 0 109.029 "Aminoguanidine hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
76 109.029460233683 0 109.029 "Aminoguanidine hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
77 109.029477135144 0 109.029 "Aminoguanidine hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
78 110.035946963243 0 110.036 cytosine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
79 111.008717601833 0 111.009 "Furan-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
80 111.008705198638 0 111.009 "Furan-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
81 111.008712089693 0 111.009 "Furan-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
82 111.008751926874 0 111.009 "Furan-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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83 111.081522302861 0 111.082 CYCLOHEPTANONE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
84 112.012115281508 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
85 112.040367993173 0 112.04 1-pyrroline-5-carboxylate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
86 113.013320708727 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
87 113.024425631022 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
88 113.024420419816 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
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89 113.024424577677 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
90 113.024354872809 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
91 113.024422900674 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
92 113.024425085491 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
93 113.024426771467 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
94 113.024426567552 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
95 113.024404024328 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
96 113.024426228232 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
97 113.024414634866 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
98 113.024429189485 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
99 113.024411992624 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
100 113.060797670347 0 113.061 "trans-2-Hexenoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
101 113.097188064596 0 113.097 Heptanal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
102 113.98907906808 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
103 114.027833326376 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
104 114.027823412878 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
105 115.003644718697 0 115.004 "maleic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
106 115.040003616818 0 115.040 "3-Oxopentanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
107 115.07645091742 0 115.076 Hexanoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
108 116.035280917937 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
109 116.035328584945 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
110 116.035321003008 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
111 116.071688839875 0 116.072 L-valine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
112 117.019299078529 0 117.019 "hydrogen succinate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
113 117.019281920605 0 117.019 "hydrogen succinate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
114 117.019326286108 0 117.019 "hydrogen succinate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
115 117.055710190728 0 117.056 "5-HYDROXYPENTANOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
116 117.05568121698 0 117.056 "5-HYDROXYPENTANOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
117 117.928671018522 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
118 119.034948086872 0 119.035 Erythrulose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
119 119.050247583457 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
120 119.050228984977 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
121 119.053562227568 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
122 120.012417526969 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
123 120.04549546685 8.3 120.046 3-ACETYLPYRIDINE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
124 120.045481458732 8.3 120.046 3-ACETYLPYRIDINE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
125 121.029494042683 0 121.03 thiodiglycol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
126 121.029495816379 0 121.03 thiodiglycol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
127 122.024678180453 0 122.025 "picolinic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
128 122.035971905335 0 122.036 formamidopyrimidine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
129 123.045161100833 0 123.045 phenol-formaldehyde NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
130 123.045151597513 0 123.045 phenol-formaldehyde NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
131 123.045170226229 0 123.045 phenol-formaldehyde NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
132 123.045137198474 0 123.045 phenol-formaldehyde NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
133 123.045156528352 0 123.045 phenol-formaldehyde NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
134 123.081522490733 0 123.082 "Furan, 4-methyl-2-propyl-" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
135 124.007348295334 0 124.007 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
136 124.007334906609 0 124.007 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
137 124.048522138058 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
138 124.955027587826 0 124.955 478796-10-0 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
139 124.991343264662 0 124.991 ethylsulfate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
140 125.024391455159 8.0 125.025 31830-31-6 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
141 125.024404286937 8.0 125.025 31830-31-6 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
142 125.024427223031 8.0 125.025 31830-31-6 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
143 125.035658306673 0 125.036 "Imidazole-4-acetic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
144 125.035638687574 0 125.036 "Imidazole-4-acetic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
145 125.097165060709 0 125.097 6-METHYL-5-HEPTEN-2-ONE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
146 125.994159276515 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
147 126.019639568209 0 126.020 "5-Methylisoxazole-3-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
148 126.904905319881 0 126.905 "Hydriodic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
149 126.987197831375 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
150 127.040071736318 0 127.040 3658-77-3 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
151 127.051317791524 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
152 127.051294752134 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
153 127.051298677262 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
154 127.076449077667 0 127.076 Cyclohexanecarboxylate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
155 128.035277421865 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
156 128.035308131152 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
157 128.035330393277 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
158 128.959546555085 0 128.96 "Sodium ethenesulfonate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
159 129.019327009092 0 129.019 "Monomethyl fumarate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
160 129.019296363798 0 129.019 "Monomethyl fumarate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
161 129.019328652861 0 129.019 "Monomethyl fumarate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
162 129.019289670492 0 129.019 "Monomethyl fumarate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
163 129.019350826481 0 129.019 "Monomethyl fumarate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
164 129.055660702505 0 129.056 "4-methyl-2-oxopentanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
165 129.092094471459 0 129.092 "2-METHYLHEXANOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
166 130.02273478546 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
167 130.022692801268 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
168 130.022718596684 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
169 130.050941431605 0 130.051 "4-hydroxypyrrolidine-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
170 130.066218668089 0 130.066 1,2-dihydroisoquinoline NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
171 130.98364861504 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
172 130.998587989954 0 130.999 "Epoxysuccinic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
173 131.034973148144 0 131.035 "2-Methylsuccinic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
174 131.034951361404 0 131.035 "2-Methylsuccinic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
175 131.034979249853 0 131.035 "2-Methylsuccinic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
176 132.030198888683 0 132.03 (2S)-2-ammoniobutanedioate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
177 132.045477571602 7.6 132.046 1H-Indol-3-ol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
178 132.045480896382 7.6 132.046 1H-Indol-3-ol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
179 132.045480573064 7.6 132.046 1H-Indol-3-ol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
180 132.946260453967 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
181 133.014226302719 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
182 133.050598972757 0 133.051 3,4,5-trihydroxypentanal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
183 134.061135633436 0 134.061 dihydrobenzoxazine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
184 134.894624075195 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
185 134.894651180652 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
186 135.029844445934 0 135.030 "Erythronic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
187 135.029951199464 0 135.030 "Erythronic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
188 135.045150237694 0 135.045 "2-Methylbenzoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
189 135.064469367025 0 135.064 Tetravinylsilane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
190 135.081524328304 0 135.082 "acetone benzene" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
191 135.894759459413 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
192 136.033298584154 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
193 136.040405780758 0 136.040 "Biguanide Hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
194 136.891762150709 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
195 136.917627740804 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
196 137.024418210974 0 137.024 4-hydroxybenzoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
197 137.024410593519 0 137.024 4-hydroxybenzoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
198 137.024422732564 0 137.024 4-hydroxybenzoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
199 137.034535577572 0 137.035 trans-urocanate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
200 137.035623676867 0 137.036 "Nicotinamide N-oxide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
201 137.060782644011 0 137.061 "2-Hydroxyphenethyl alcohol" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
202 137.060788182111 0 137.061 "2-Hydroxyphenethyl alcohol" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
203 137.060803909545 0 137.061 "2-Hydroxyphenethyl alcohol" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
204 137.060802527122 0 137.061 "2-Hydroxyphenethyl alcohol" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
205 138.027809787031 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
206 138.030875646073 0 138.031 5-Hydroxypyrazinamide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
207 138.056025483599 0 138.056 3,4-Dihydroxybenzylamine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
208 138.05604734104 0 138.056 3,4-Dihydroxybenzylamine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
209 138.970643476611 0 138.971 "SULFOACETIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
210 139.040075066414 0 139.040 "Ethyl maltol" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
211 141.019322696379 0 141.02 (3-Chlorophenyl)hydrazine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
212 141.092096961857 0 141.092 "2-propylpent-4-enoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
213 141.092095432004 0 141.092 "2-propylpent-4-enoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
214 141.0920814015 0 141.092 "2-propylpent-4-enoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
215 141.092107002221 0 141.092 "2-propylpent-4-enoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
216 142.025769226635 0 142.026 Isouramil NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
217 142.066205483636 0 142.066 8-METHYLQUINOLINE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
218 142.066207611956 0 142.066 8-METHYLQUINOLINE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
219 143.034940832935 0 143.035 3,6-Dimethyl-1,4-dioxane-2,5-dione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
220 143.107734773314 0 143.108 6-hydroxy-6-methylheptan-3-one NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
221 144.030210547585 0 144.03 5-amino-2,5-dioxopentanoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
222 144.045472448695 6.9 144.046 4-Hydroxyquinoline NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
223 144.066563468041 0 144.067 allysine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
224 145.014226709202 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
225 145.061876787659 0 145.062 L-glutamine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
226 145.061875949187 0 145.062 L-glutamine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
227 145.061872799067 0 145.062 L-glutamine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
228 145.061844533948 0 145.062 L-glutamine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
229 146.024740147218 0 146.025 Isatin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
230 146.045853315643 0 146.046 "DL-Glutamic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
231 146.045904482276 0 146.046 "DL-Glutamic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
232 146.065090385452 0 146.065 "S-Methyl diethylthiocarbamate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
233 146.96120452659 0 146.961 whewellite NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
234 147.066373068996 0 147.066 3,5-dihydroxy-3-methylpentanoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
235 148.040388097455 0 148.04 "serine borate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
236 148.040397492397 0 148.04 "serine borate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
237 148.0403867124 0 148.04 "serine borate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
238 149.045499482345 6.7 149.046 D-Xylose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
239 149.045509053546 0 149.046 D-Xylose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
240 149.060821724904 0 149.061 "3,5-DIMETHYLBENZOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
241 150.056045621875 0 150.056 875-74-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
242 150.056034465983 0 150.056 875-74-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
243 150.056048636459 0 150.056 875-74-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
244 150.056036585634 0 150.056 875-74-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
245 150.056046659464 0 150.056 875-74-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
246 151.026110329761 0 151.026 Oxypurinol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
247 151.0400615344 0 151.04 Tetramethoxysilane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
248 151.040073635793 0 151.04 Tetramethoxysilane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
249 151.04006056021 0 151.04 Tetramethoxysilane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
250 151.040056611103 0 151.04 Tetramethoxysilane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
251 151.040070962641 0 151.04 Tetramethoxysilane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
252 151.040063426853 0 151.04 Tetramethoxysilane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
253 152.035330185519 0 152.035 4-amino-2-hydroxybenzoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
254 152.043434252375 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
255 152.995805669595 0 152.996 "2-Phosphonopropionic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
256 153.019332073497 0 153.02 2-Chlorobenzimidamide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
257 153.019321219191 0 153.02 2-Chlorobenzimidamide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
258 153.019334387551 0 153.02 2-Chlorobenzimidamide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
259 153.030542948144 0 153.031 2-AMINO-4-NITROPHENOL NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
260 153.092095183619 0 153.092 cumylhydroperoxide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
261 153.092097039672 0 153.092 cumylhydroperoxide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
262 153.868594755543 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
263 154.062172818381 0 154.062 L-histidine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
264 154.928180054858 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
265 154.998577168773 0 154.999 "2,5-Furandicarboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
266 154.998570652587 0 154.999 "2,5-Furandicarboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
267 155.046181349564 0 155.046 "1,3-Dimethylbarbituric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
268 155.107743920382 0 155.108 4-Hydroxy-2,3-trans-nonenal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
269 155.107749685219 0 155.108 4-Hydroxy-2,3-trans-nonenal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
270 155.107753694978 0 155.108 4-Hydroxy-2,3-trans-nonenal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
271 155.107729189761 0 155.108 4-Hydroxy-2,3-trans-nonenal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
272 155.107740393286 0 155.108 4-Hydroxy-2,3-trans-nonenal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
273 155.865767058385 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
274 156.041441414802 6.4 156.042 5-Diazo-4-oxo-L-norvaline NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
275 156.923472875431 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
276 156.925252387827 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
277 157.014230326091 6.4 157.015 2-maleylacetate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
278 157.014155589238 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
279 157.087020900966 0 157.087 "2-ethyl-3-oxohexanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
280 157.123370239185 0 157.123 Nonanoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
281 157.863013168979 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
282 158.082245377035 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
283 158.118637889864 0 158.119 "2-Aminooctanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
284 158.978562093608 6.3 158.978 "4-Chlorobenzyl chloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
285 159.029869660282 0 159.030 "2-Oxoadipic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
286 159.029864426922 0 159.030 "2-Oxoadipic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
287 159.066270565786 6.3 159.067 "pimelic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
288 159.066275116976 6.3 159.067 "pimelic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
289 159.102652562899 6.3 159.102 8-hydroxyoctanoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
290 159.979872892715 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
291 160.04037468763 6.2 160.041 "Indole-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
292 160.040389597422 6.2 160.041 "Indole-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
293 160.040399604247 6.2 160.041 "Indole-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
294 160.040393746758 6.2 160.041 "Indole-2-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
295 160.061498142109 0 160.061 L-2-Aminoadipate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
296 160.076768183699 0 160.077 Tryptophol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
297 160.842071514674 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
298 160.976301297425 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
299 161.024425845856 6.2 161.025 4-Hydroxycoumarin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
300 161.045518351026 0 161.046 617-57-2 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
301 161.986648542385 0 161.987 ACESULFAME NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
302 162.023052169205 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
303 162.023027914713 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
304 162.023005830239 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
305 162.022966803103 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
306 162.022994810755 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
307 162.022963917496 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
308 162.023013311713 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
309 162.05603504814 0 162.056 3-Hydroxy-3-methyloxindole NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
310 162.839074799121 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
311 163.040029332944 0 163.040 "3-Hydroxycinnamic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
312 163.061165711862 0 163.061 L-Rhamnose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
313 164.018946035161 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
314 164.07169868119 0 164.072 L-phenylalanine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
315 164.836147900696 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
316 165.041765032682 0 165.042 3-Methylxanthine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
317 165.040441211936 0 165.04 D-Xylonate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
318 165.05569372279 0 165.056 "DL-3-Phenyllactic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
319 165.055726012914 0 165.056 "DL-3-Phenyllactic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
320 165.0920845727 0 165.092 Dolichodial NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
321 165.092080521388 0 165.092 Dolichodial NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
322 166.017751753122 0 166.018 N-Acetyltaurine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
323 166.044795375549 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
324 167.02102383756 0 167.021 "uric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
325 167.034964641355 0 167.035 Divema NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
326 167.034970436018 0 167.035 Divema NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
327 167.035968563504 0 167.036 SCHEMBL8857031 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
328 167.071370782873 6.0 167.072 "5-Methylhexahydrophthalic anhydride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
329 168.030208773634 6.0 168.031 Didox NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
330 168.023986796471 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
331 168.045453183085 6.0 168.046 pyranoindole NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
332 168.077829362902 0 168.078 3-Methyl-L-histidine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
333 168.981211815885 5.9 168.982 "2-hydroxy-3-sulfopropanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
334 169.08700636947 0 169.087 "TETRAHYDROFURFURYL METHACRYLATE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
335 169.123381196091 5.9 169.124 "(Z)-4-Decenoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
336 169.123400929823 5.9 169.124 "(Z)-4-Decenoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
337 171.102645734497 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
338 171.102632673631 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
339 172.040395506214 0 172.040 Deisopropylatrazine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
340 172.097901974709 0 172.098 N-Acetylisoleucine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
341 172.991397518637 0 172.991 "phenyl sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
342 172.991395192123 0 172.991 "phenyl sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
343 173.009126101886 0 173.009 "DEHYDROASCORBIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
344 173.009138750533 0 173.009 "DEHYDROASCORBIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
345 173.009148165069 0 173.009 "DEHYDROASCORBIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
346 173.009134077796 0 173.009 "DEHYDROASCORBIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
347 173.056721695199 0 173.057 "Diethyl azodicarboxylate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
348 173.081927002814 0 173.082 10171-92-3 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
349 173.081934470645 0 173.082 10171-92-3 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
350 173.994518573197 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
351 174.012563892528 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
352 174.040766354108 0 174.041 DMOG NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
353 174.056040493942 0 174.056 N-Phenylsuccinimide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
354 174.056038669275 0 174.056 N-Phenylsuccinimide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
355 174.085337236619 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
356 174.956111236169 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
357 174.987380175611 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
358 175.024800977375 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
359 175.024812207715 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
360 175.024814909154 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
361 175.024810086188 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
362 175.024800147642 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
363 175.024806666592 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
364 175.02481569612 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
365 175.024803385669 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
366 175.024796098823 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
367 175.024785547072 0 175.025 Diglyceride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
368 175.959568375451 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
369 176.028206857855 5.7 176.029 "5-FLUORO-2-METHOXYANILINE HYDROCHLORIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
370 176.028278229265 5.7 176.029 "5-FLUORO-2-METHOXYANILINE HYDROCHLORIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
371 176.028409303668 5.7 176.029 "5-FLUORO-2-METHOXYANILINE HYDROCHLORIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
372 176.035292571011 5.7 176.036 "benzoxazine-6-carboxylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
373 177.022661250545 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
374 178.050939061901 0 178.051 "Hippuric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
375 179.034975609934 0 179.035 "4-Hydroxyphenylpyruvic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
376 179.034975539142 0 179.035 "4-Hydroxyphenylpyruvic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
377 179.034973414636 0 179.035 "4-Hydroxyphenylpyruvic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
378 179.034954655599 0 179.035 "4-Hydroxyphenylpyruvic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
379 179.056084634707 0 179.056 D-Fructopyranose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
380 179.054274475853 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
381 179.071361939568 5.6 179.072 "CONIFERYL ALCOHOL" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
382 179.107737784819 0 179.108 2-tert-Butyl-4-methoxyphenol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
383 179.882610163124 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
384 179.882619965159 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
385 179.882631750539 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
386 180.012434080595 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
387 180.052678581715 5.6 180.052 "Pentaerythritol mononitrate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
388 180.056151053873 5.6 180.057 pyrrolobenzodiazepine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
389 180.059522722005 5.6 180.059 6-Chloro-2,3,4,5-tetrahydro-1H-3-benzazepine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
390 180.066587384054 0 180.067 L-tyrosine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
391 180.066583692019 0 180.067 L-tyrosine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
392 180.066699005014 0 180.067 L-tyrosine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
393 181.036681184007 0 181.037 "3-METHYLURIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
394 181.050627441424 0 181.051 "2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
395 181.050641333314 0 181.051 "2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
396 181.050621673769 0 181.051 "2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
397 181.050477689336 0 181.05 3-(4-Hydroxyphenyl)lactate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
398 181.050627535349 0 181.051 "2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
399 181.050614274142 0 181.051 "2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
400 181.99172799326 0 181.992 saccharin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
401 181.991721649898 0 181.992 saccharin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
402 182.028109983381 0 182.028 OXISURAN NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
403 182.045841084825 0 182.046 (RS)-3,5-DHPG NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
404 182.039706568349 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
405 182.996860311265 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
406 183.102632689942 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
407 184.097874300299 0 184.098 3h-adrenaline NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
408 185.081924800061 0 185.082 "1,1-Cyclopentanediacetic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
409 185.118298384885 5.4 185.119 Epomediol NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
410 187.007031661673 0 187.007 2698-41-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
411 187.007014433411 0 187.007 2698-41-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
412 187.007027991523 0 187.007 2698-41-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
413 187.007029507016 0 187.007 2698-41-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
414 187.007027029112 0 187.007 2698-41-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
415 187.007024932231 0 187.007 2698-41-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
416 187.024493096871 0 187.024 Fluoresone NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
417 187.097561916634 0 187.098 "azelaic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
418 188.002248887858 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
419 188.010165224817 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
420 188.010184579358 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
421 188.0353096643 5.3 188.036 "kynurenic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
422 188.100948854119 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
423 188.986311836843 0 188.986 2,5-Dihydroxybenzenesulfonate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
424 188.986306481488 0 188.986 2,5-Dihydroxybenzenesulfonate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
425 188.986311103105 0 188.986 2,5-Dihydroxybenzenesulfonate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
426 188.986287249268 0 188.986 2,5-Dihydroxybenzenesulfonate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
427 189.003067462187 5.3 189.004 citrate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
428 189.989433089072 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
429 190.006479606211 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
430 190.017914453358 0 190.018 16708-09-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
431 190.050955558763 0 190.051 N-phenylmalimide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
432 191.01968670611 0 191.020 "citric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
433 191.019863933271 0 191.020 "citric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
434 191.071361118519 0 191.071 "arginine chloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
435 191.107725464477 0 191.108 Ibufenac NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
436 192.023128161054 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
437 192.981215295516 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
438 193.024233167437 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
439 193.035379571188 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
440 193.035373079321 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
441 193.035368761982 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
442 193.035382677517 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
443 193.035385667219 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
444 193.03537250363 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
445 193.035387287305 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
446 193.035404841708 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
447 193.035362322715 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
448 193.035360855805 0 193.035 beta-D-glucuronate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
449 193.050631521258 0 193.051 "Dimethyl phthalate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
450 193.086974086454 0 193.087 "2-Methoxy-3,4-dimethylphenyl acetate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
451 194.038824298492 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
452 194.03885868366 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
453 194.038805814417 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
454 194.045862002992 0 194.046 51-59-2 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
455 194.045861496274 0 194.046 51-59-2 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
456 194.045830932376 0 194.046 51-59-2 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
457 194.054018157641 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
458 194.92746589008 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
459 195.050999708501 0 195.051 "D-Galactonic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
460 195.04916575496 0 195.05 "1,3-Dimethyluric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
461 195.05235820565 0 195.052 4420-74-0 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
462 195.066265297831 5.1 195.067 2034-61-9 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
463 195.065924185181 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
464 195.810950189943 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
465 196.02838867625 0 196.028 Tauropine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
466 196.04375102368 0 196.044 S-Phenyl-L-cysteine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
467 196.055465585297 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
468 196.923488180471 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
469 196.923516293268 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
470 196.947027929409 0 196.947 "Ammonium molybdate(VI)" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
471 197.045498728975 0 197.045 "Sodium Danshensu" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
472 197.045537954846 0 197.046 Danshensu NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
473 197.067965818026 0 197.068 "dimethyluric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
474 197.081921158307 0 197.082 "Ethylene glycol dimethacrylate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
475 197.081905788347 0 197.082 "Ethylene glycol dimethacrylate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
476 197.807927345532 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
477 198.113560080077 0 198.114 "diisopropyliminodiacetic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
478 199.097562666936 0 199.098 9010-88-2 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
479 199.09758085507 0 199.098 9010-88-2 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
480 199.097562847781 0 199.098 9010-88-2 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
481 199.133934893686 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
482 199.804957999255 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
483 200.129199554705 0 200.129 "2-octanamidoacetic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
484 201.022669158726 5.0 201.022 "4-ethylphenyl sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
485 201.11321033632 5.0 201.114 "1,4-Butanediol diglycidyl ether" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
486 201.113226614314 5.0 201.114 "1,4-Butanediol diglycidyl ether" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
487 201.113224136488 5.0 201.114 "1,4-Butanediol diglycidyl ether" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
488 201.113215983278 5.0 201.114 "1,4-Butanediol diglycidyl ether" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
489 201.113217266492 5.0 201.114 "1,4-Butanediol diglycidyl ether" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
490 202.108663610445 0 202.109 "Glutamic acid diethyl ester" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
491 203.00194941501 0 203.002 "Guaiacol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
492 203.001965014477 0 203.002 "Guaiacol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
493 203.00197180674 0 203.002 "Guaiacol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
494 203.00198782203 0 203.002 "Guaiacol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
495 203.128873744191 0 203.129 1,4,8,11-Tetraoxacyclotetradecane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
496 203.128869514201 0 203.129 1,4,8,11-Tetraoxacyclotetradecane NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
497 204.00513364007 0 204.005 nitroquinoxaline-2,3-dione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
498 204.005098852514 0 204.005 nitroquinoxaline-2,3-dione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
499 204.030239330307 4.9 204.031 "xanthurenic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
500 204.066602028482 0 204.067 5-Ethyl-5-phenyloxazolidinedione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
501 204.981232512787 4.9 204.982 5-Sulfooxymethylfurfural NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
502 204.998066321361 4.9 204.999 "3-Oxalomalic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
503 205.035323790896 4.9 205.036 "Homocitric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
504 205.069916183993 0 205.07 4-Azido-L-phenylalanine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
505 206.082258175636 0 206.082 "Moroxydine hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
506 206.082244169055 0 206.082 "Moroxydine hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
507 206.996882637681 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
508 207.014622736091 0 207.015 "hydroxycitric acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
509 207.066263975863 4.8 207.067 3709-21-5 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
510 207.066274938524 4.8 207.067 3709-21-5 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
511 207.999996148849 0 208.000 "3,5-Dinitrophenyl isocyanate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
512 208.061561576001 0 208.062 "4-Nitrophenyl butyrate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
513 208.06966523321 0 208.07 2',3'-Dideoxycytidinene NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
514 209.079572535785 0 209.080 "Sodium hydrogen azelate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
515 210.994463562251 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
516 211.061209261522 0 211.061 ASPERLIN NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
517 211.133919443644 0 211.134 "Dihydrojasmonic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
518 212.002269674607 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
519 212.002271072026 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
520 213.005340810654 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
521 213.022671279108 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
522 213.055707831582 0 213.056 2,4-DIHYDROXYBENZOPHENONE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
523 213.113214197978 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
524 213.998445611225 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
525 215.001890038509 0 215.002 "4-acetylphenol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
526 215.038262534215 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
527 216.909410138963 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
528 216.909453155166 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
529 216.981246134523 0 216.981 AC1MHS4E NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
530 216.98123992753 0 216.981 AC1MHS4E NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
531 217.017606595396 0 217.018 Streptochlorin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
532 217.017644571553 0 217.018 Streptochlorin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
533 217.108136718884 0 217.108 "3-Hydroxydecanedioic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
534 217.108164031685 0 217.108 "3-Hydroxydecanedioic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
535 217.108151980698 0 217.108 "3-Hydroxydecanedioic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
536 217.984401738448 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
537 217.984390013006 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
538 218.020762037727 4.6 218.020 73226-73-0 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
539 218.905504211687 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
540 218.996858259947 0 218.997 "2-methylpyrogallol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
541 218.996844527074 0 218.997 "2-methylpyrogallol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
542 218.996877395933 0 218.997 "2-methylpyrogallol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
543 218.996880123451 0 218.997 "2-methylpyrogallol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
544 219.113885605499 0 219.114 Eltoprazine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
545 220.976160022321 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
546 221.118310871684 4.5 221.119 "3,5-Diisopropylsalicylic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
547 222.049583212838 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
548 222.080507976159 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
549 222.113545247627 0 222.114 Nicoboxil NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
550 222.968185071018 4.5 222.969 "Sodium 3-sulfobenzoate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
551 222.991753079773 4.5 222.991 "Cystamine dihydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
552 222.991765974663 4.5 222.991 "Cystamine dihydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
553 223.061206888383 0 223.061 "SINAPIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
554 224.023372567046 4.5 224.024 99446-80-7 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
555 224.056440219131 4.5 224.057 Vanilloylglycine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
556 225.07685217782 0 225.077 Genipin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
557 225.076853394968 0 225.077 Genipin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
558 225.088033221484 0 225.088 porphobilinogen NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
559 225.149565979626 0 225.150 24851-98-7 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
560 226.017920116851 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
561 226.017907534074 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
562 226.966002540508 4.4 226.967 "cyanide mercury" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
563 227.038334687805 4.4 227.039 Polyanethole-sulfate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
564 227.128856061883 0 227.129 "Traumatic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
565 227.997197128846 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
566 227.997200909847 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
567 227.997219862688 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
568 228.033603354343 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
569 229.000253237602 4.4 229.001 CHEMBL9790 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
570 229.000287512683 4.4 229.001 CHEMBL9790 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
571 229.993503494337 0 229.994 "selenomethionine selenoxide hydrate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
572 230.012902978313 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
573 230.012851811336 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
574 230.012858773809 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
575 230.996890919593 0 230.997 "methyl 4-(sulfooxy)benzoate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
576 230.996867129237 0 230.997 "methyl 4-(sulfooxy)benzoate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
577 230.996886014998 0 230.997 "methyl 4-(sulfooxy)benzoate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
578 230.996886225865 0 230.997 "methyl 4-(sulfooxy)benzoate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
579 231.01590049973 0 231.016 CNQX NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
580 231.015927806328 0 231.016 CNQX NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
581 231.123786255289 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
582 231.970713300427 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
583 231.992178110657 0 231.992 18690-42-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
584 232.976157292236 0 232.976 "3-methoxycatechol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
585 232.976156599139 0 232.976 "3-methoxycatechol sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
586 232.994755294864 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
587 233.012544740286 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
588 233.012554546209 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
589 234.080506039341 0 234.081 HMPMA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
590 235.926143385013 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
591 237.12446105249 4.2 237.125 secobarbital NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
592 239.092475698705 0 239.092 3-carboxy-4-methyl-5-propyl-2-furanpropanoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
593 239.092469932874 0 239.092 3-carboxy-4-methyl-5-propyl-2-furanpropanoate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
594 239.128875020772 4.2 239.130 budralazine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
595 239.997219941519 0 239.997 "Indole-3-carboxilic acid-O-sulphate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
596 241.108136350684 0 241.108 "Diethylene glycol dimethacrylate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
597 241.119344119917 0 241.12 Restacorin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
598 242.012867873966 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
599 242.012829320371 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
600 242.012860103422 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
601 242.012873099287 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
602 242.049258891536 4.1 242.050 SCHEMBL5759 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
603 242.943383700976 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
604 242.996871811755 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
605 243.015943336472 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
606 243.017950077187 0 243.018 SCHEMBL160876 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
607 243.033237557231 4.1 243.034 95480-60-7 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
608 243.077485285204 4.1 243.078 Phenallymal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
609 243.077503828738 0 243.078 Phenallymal NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
610 243.123782321802 0 243.124 "Oxidized polyethylene" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
611 243.123789385797 0 243.124 "Oxidized polyethylene" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
612 243.123779705379 0 243.124 "Oxidized polyethylene" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
613 243.135006845817 0 243.135 hexanoylglutamine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
614 243.99213040268 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
615 245.012533078672 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
616 245.048910486163 0 245.049 "2-Aminoacridin-9(10H)-one hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
617 245.093173711328 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
618 245.093148001435 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
619 245.139402445513 4.1 245.140 "3-HYDROXYDODECANEDIOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
620 246.015741240023 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
621 246.991806826666 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
622 246.991786674507 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
623 247.028194974557 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
624 247.994991760345 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
625 248.096180140437 0 248.096 N-acetylfelinine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
626 249.007451247922 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
627 249.007430950919 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
628 250.072082871764 0 250.072 Bz-Glu-OH NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
629 250.072069283681 0 250.072 Bz-Glu-OH NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
630 254.981578615126 0 254.982 "Ascorbate 2-sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
631 255.135007894698 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
632 258.007773572061 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
633 258.991801955322 0 258.992 SCHEMBL17938779 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
634 258.991803653319 0 258.992 SCHEMBL17938779 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
635 259.013218904534 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
636 259.028174467405 0 259.028 "propyl paraben sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
637 260.023374460415 3.8 260.024 Sulfotyrosine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
638 260.023457582208 3.8 260.024 Sulfotyrosine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
639 260.023504303053 0 260.024 Sulfotyrosine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
640 261.007460742764 3.8 261.008 "Homovanillic acid sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
641 261.007448370742 3.8 261.008 "Homovanillic acid sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
642 261.026472019805 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
643 261.037313985272 0 261.037 "4-Fluorobenzoic Anhydride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
644 262.01070106908 3.8 262.012 "Pyridoxic acid 5'-phosphate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
645 262.010638739434 3.8 262.010 "Trimethylphenylammonium iodide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
646 263.023096613686 3.8 263.024 Raluridine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
647 263.103674888831 0 263.104 AFMK NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
648 264.087733309009 0 264.088 Nigerloxin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
649 264.106942045808 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
650 264.934423969419 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
651 265.109142472541 3.8 265.110 143797-63-1 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
652 266.963881296478 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
653 267.1237918907 0 267.124 73248-95-0 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
654 269.150656105298 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
655 270.153915339334 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
656 271.028162624241 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
657 272.031385862427 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
658 273.007448757783 3.7 273.008 "Isoferulic Acid 3-O-Sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
659 273.043777864649 0 273.044 CHEMBL3104349 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
660 273.17063925017 0 273.171 "3-HYDROXYTETRADECANEDIOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
661 273.170727048714 0 273.171 "3-HYDROXYTETRADECANEDIOIC ACID" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
662 274.002721870836 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
663 274.010652689712 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
664 274.039093090212 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
665 275.023109012968 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
666 275.023121781653 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
667 276.000540274766 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
668 277.97621287189 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
669 278.978232554848 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
670 279.098671839833 0 279.099 13433-09-5 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
671 279.907872382829 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
672 280.908374158963 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
673 283.082311042099 3.5 283.081 "1-Butyl-3-methylimidazolium hexafluorophosphate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
674 283.118725903827 3.5 283.120 Nicaraven NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
675 283.11871241139 3.5 283.120 Nicaraven NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
676 284.085713011274 3.5 284.085 Asenapine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
677 286.932284089651 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
678 287.023066637791 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
679 287.052029030862 0 287.052 Orotidine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
680 288.026283312186 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
681 289.020244735942 0 289.02 "FERROUS LACTATE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
682 289.038764626166 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
683 289.038732622644 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
684 290.023417999105 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
685 290.088126322471 0 290.088 24967-27-9 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
686 291.959122390179 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
687 292.894863279215 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
688 295.129932984644 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
689 297.978173637313 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
690 299.077241078275 3.3 299.078 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
691 300.018356730017 3.3 300.019 "4-sulfoxyphenylacetyl dehydroalanine" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
692 300.039434086548 0 300.039 "Amiloride hydrochloride dihydrate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
693 301.038739766358 0 301.039 "zinc threoninate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
694 302.041995495192 0 302.042 CHEMBL165969 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
695 302.114597879637 0 302.115 Mar-99 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
696 303.018037253975 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
697 305.033661929948 0 305.034 Vadadustat NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
698 306.036909413717 0 306.037 CHEMBL292887 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
699 307.031165152532 3.3 307.030 "Uranyl fluoride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
700 308.000068513309 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
701 309.997143918579 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
702 310.930261003164 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
703 311.92752360858 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
704 314.876813284139 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
705 314.877072762036 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
706 319.049343385354 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
707 319.1034657296 3.1 319.104 "PROMAZINE HYDROCHLORIDE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
708 320.062432446263 0 320.062 Diclofensine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
709 322.973422042605 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
710 324.072495325399 3.1 324.071 Basimglurant NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
711 325.075836909732 3.1 325.075 "Tributyltin chloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
712 327.015632507771 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
713 330.028893574051 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
714 331.176167331773 3.0 331.177 "Menthol glucuronide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
715 331.931137830779 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
716 332.921848379631 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
717 336.858879325418 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
718 336.858735388291 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
719 339.065694243051 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
720 341.10889692024 0 341.109 cellobiose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
721 341.898636648513 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
722 343.067084330184 0 343.067 Theogallin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
723 343.085684499175 0 343.086 4'-Hydroxygirisopam NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
724 344.046557154168 5.8 344.045 SCHEMBL3944818 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
725 344.070492252905 2.9 344.071 N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3,5-dimethylbenzamide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
726 345.155471699431 5.8 345.157 "WK 23" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
727 345.155492115686 5.8 345.157 "WK 23" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
728 345.155496211936 5.8 345.157 "WK 23" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
729 346.158874922598 2.9 346.158 Malexil NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
730 347.171078410032 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
731 349.114026416179 2.9 349.115 61733-92-4 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
732 350.088115778294 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
733 351.98871768438 0 351.989 "Zinc edetate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
734 352.085968809673 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
735 352.085980614433 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
736 353.089149828692 2.8 353.088 Scopolin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
737 353.089136616452 2.8 353.088 Scopolin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
738 354.101650047392 0 354.102 SP-420 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
739 355.088162451037 0 355.088 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
740 356.117307344339 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
741 357.101318873656 0 357.10 ENVIROXIME NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
742 361.150409745163 5.5 361.152 AC1L5V5Y NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
743 361.150360597183 5.5 361.152 AC1L5V5Y NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
744 362.020688290141 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
745 363.028794380988 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
746 363.075529131205 0 363.076 tetraacetylthioglucose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
747 363.129668331092 0 363.130 Harpagide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
748 364.03074950059 2.7 364.030 Bal-ari8 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
749 365.142558669168 5.5 365.141 XG-696 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
750 366.101602541317 0 366.10 "Ciprofloxacin hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
751 366.97993680345 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
752 367.012913887486 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
753 367.027514434362 0 367.028 "2,4,5-T PGBEE" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
754 367.103443633547 2.7 367.104 "3-O-Feruloylquinic acid" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
755 369.028547024861 0 369.029 "(-)-epicatechin sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
756 369.028577557599 0 369.029 "(-)-epicatechin sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
757 369.173998115449 0 369.174 LORCAINIDE NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
758 370.031839281513 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
759 370.096584617636 0 370.097 Camazepam NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
760 371.044116312577 0 371.044 carboplatin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
761 371.098359439416 2.7 371.099 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
762 372.112196487049 5.4 372.114 CHEMBL2018064 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
763 375.021405576474 0 375.021 UNII-V5JEX3KGDA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
764 377.145310907091 5.3 377.147 "reduced riboflavin" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
765 377.181668808707 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
766 378.917199552759 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
767 379.034074513254 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
768 379.034058041732 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
769 379.091106197403 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
770 379.160995955856 0 379.161 "Prenyl arabinosyl-(1->6)-glucoside" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
771 380.037317233668 2.6 380.038 UNII-XX90DN99PA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
772 381.028590251656 0 381.029 "hesperetin 3'-O-sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
773 383.044185446356 2.6 383.045 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
774 383.044225134293 2.6 383.045 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
775 383.044205093688 2.6 383.045 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
776 383.098341928706 2.6 383.099 AC1O57U4 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
777 383.153294879543 0 383.153 "16alpha-hydroxy-DHEA 3-sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
778 383.153279015247 0 383.153 "16alpha-hydroxy-DHEA 3-sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
779 384.047495618702 0 384.047 beta-CIT NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
780 384.101780273921 2.6 384.101 "Indomethacin ethyl ester" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
781 384.156579402129 2.6 384.158 SCHEMBL312818 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
782 385.10380810017 5.2 385.102 Ftc-092 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
783 385.168947803844 0 385.169 A-Triols NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
784 385.168911055987 0 385.169 A-Triols NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
785 386.172236156308 0 386.172 "Desisopropyl Disopyramide Oxalate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
786 387.114415320301 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
787 387.166041403917 0 387.166 SCHEMBL4835702 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
788 387.202348253091 5.2 387.204 Ilomastat NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
789 389.091155285216 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
790 389.181621424816 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
791 389.181546563072 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
792 392.047932967125 5.1 392.046 WR99210 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
793 397.003302085799 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
794 397.114012649568 0 397.114 85209-81-0 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
795 397.150323662708 5.0 397.152 Camostat NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
796 399.166038558866 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
797 401.016015183329 0 401.016 deoxy-TDP NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
798 403.066987004808 0 403.067 "isourolithin A 3-O-glucuronide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
799 403.950635071654 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
800 405.080346603562 0 405.080 SK&F-95601 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
801 405.176557794298 4.9 405.175 "Ocfentanil HCl" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
802 405.176594602836 4.9 405.175 "Ocfentanil HCl" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
803 406.179999399163 0 406.18 UNII-N4JMG9AVTJ NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
804 408.02617289216 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
805 410.020731220487 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
806 411.129498071153 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
807 411.202414945934 4.9 411.204 "DRAQ5 dye" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
808 413.028913128338 0 413.03 CHLORIMURON-ETHYL NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
809 413.200137193905 0 413.200 Of-2440 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
810 413.200209243 0 413.200 Of-2440 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
811 414.203479641464 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
812 415.197285083647 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
813 420.079175771332 0 420.079 Piragliatin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
814 423.023959960311 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
815 424.004038357141 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
816 425.011405067831 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
817 425.16381959954 0 425.164 "Corticosterone sulfate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
818 427.160952490779 0 427.161 rosavin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
819 427.179510076257 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
820 427.197332657971 4.7 427.199 "Bendazac L-lysine" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
821 431.192246267031 4.6 431.194 CHEMBL3678098 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
822 431.192161487352 4.6 431.194 CHEMBL3678098 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
823 432.19565857652 2.3 432.197 Penethamate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
824 433.207860636859 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
825 433.207747756455 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
826 439.106758924029 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
827 439.160902661843 0 439.161 "gamma-CEHC glucuronide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
828 443.155833192705 0 443.156 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
829 445.207838958971 4.5 445.210 CAY10603 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
830 446.993820534076 2.2 446.995 "Alginic acid, potassium salt" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
831 447.996753319392 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
832 449.202787259993 2.2 449.204 YVAD-CHO NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
833 453.176521233768 0 453.177 "alpha-CEHC glucuronide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
834 457.135125960586 4.4 457.137 "2-Hydroxynevirapine glucuronide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
835 459.15072522852 2.2 459.150 "Clindamycin hydrochloride" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
836 460.15414204549 0 460.154 1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-methyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
837 462.176888769009 0 462.177 "Dihydronorcodeine 6-glucuronide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
838 463.055180489896 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
839 464.058448117478 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
840 465.19776806802 0 465.20 98833-79-5 NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
841 465.249216356154 2.1 465.250 "Stanolone glucuronate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
842 470.069732743938 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
843 473.145266162833 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
844 479.22851145273 0 479.229 4,4-bis(triethoxysilyl)biphenyl NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
845 481.207837088656 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
846 481.244204396037 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
847 482.247644494788 2.1 482.247 Aminodeoxykanamycin NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
848 485.16635851411 4.1 485.168 BrP-LPA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
849 485.166425140339 4.1 485.168 BrP-LPA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
850 525.270454224917 3.8 525.272 Iganidipine NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
851 526.247886282214 0 526.25 "ferrous; cyclopenta-1,3-diene; N1-(6-cyclopenta-1,3-dien-1-ylhexyl)-N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
852 527.214669086077 1.9 527.214 Dutasteride NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
853 528.02083307469 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
854 528.21780558257 0 528.218 "Nsc 23766" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
855 528.263516655274 0 528.264 Glycochenodeoxycholate-3-sulfate NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
856 539.249704833549 0 539.250 Tetrahydroaldosterone-3-glucuronide NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
857 541.265340181727 1.8 541.266 "triglyceride linoleate" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
858 542.268754418979 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
859 545.060726066373 3.7 545.059 "3,3'-Dipropylthiadicarbocyanine iodide" NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
860 549.196578370134 1.8 549.198 Tracheloside NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
861 589.078922595953 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
862 597.035458390502 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
863 620.11139614437 0 0 NA NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
864 632.204277707095 1.6 632.205 3'-Sialyllactose NA NA NA NA
94eeed7f737f planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
fgiacomoni
parents:
diff changeset
865 673.230782174437 0 673.231 3'-Sialyl-N-acetyllactosamine NA NA NA NA