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diff databases/bmrb-heavy_nitrogen.tsv @ 0:0b8ddf650752 draft

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planemo upload for repository https://github.com/HegemanLab/VKMZ commit 7c299d22bdce251ce599cd34df76919d297a7007-dirty
author eslerm
date Wed, 02 May 2018 18:31:06 -0400
parents
children 35b984684450
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/databases/bmrb-heavy_nitrogen.tsv	Wed May 02 18:31:06 2018 -0400
@@ -0,0 +1,6399 @@
+Formula	Formula_mono_iso_wt_nat
+C9H10N2	148.0784681
+C7H7N3	136.0551019
+C4H13NO7P2	250.0137597
+C23H28O10	464.1682471
+C26H25N2NaO6S	518.1271717
+C23H28O11	480.1631617
+C31H54N7O17P3S	928.2302178
+C16H20O2	244.1463299
+C26H38N7O19P3S	884.0948465
+C16H20O3	260.1412445
+C16H20O4	276.1361591
+C72H101CoN18O17P+	1597.61225
+C16H20O6	308.1259884
+C10H14N2O	180.1046829
+C24H40N7O18P3S	846.115582
+C16H20O9	356.1107322
+C62H90CoN13O15P-2	1359.537447
+C32H42O7	538.2930537
+C32H42O8	554.2879683
+C92H130N28O24S4	2166.786537
+C12H20NO10S3-	435.0225164
+C7H7NO	122.0497987
+C9H10O2	150.0680796
+C9H10O3	166.0629942
+C9H10O4	182.0579088
+C9H10O5	198.0528234
+C66H87N13O13	1282.616084
+C9H10O6	214.0477381
+C48H84N2O17	962.5710691
+C13H16N2O2	234.1152476
+C13H16N2O3	250.1101622
+C39H32O15	740.1741204
+C13H16N2O4	266.1050768
+C21H26ClN3O2	390.1624595
+C11H11NO2	190.0760135
+C13H16N2O5	282.0999914
+C11H11NO3	206.0709281
+C13H16N2O6	298.094906
+C11H11NO4	222.0658427
+C11H11NO6	254.055672
+C7H4NNaO3S	205.9779933
+C19H23NO2	298.1699139
+C19H23NO3	314.1648285
+C19H23NO4	330.1597431
+C19H23NO5	346.1546577
+C28H31N3O6	508.2123904
+C17H12ClNO2S	330.0247619
+C19H23NO6	362.1495724
+C40H68O11	724.476163
+C11H17N3O7S	338.0698253
+C22H27NO2	338.201214
+C22H27NO3	354.1961286
+C22H27NO4	370.1910433
+C29H38N2O4	480.2772275
+C2H3O2	59.01330434
+C6H15N5	162.11792
+C8H8F3N3O4S2	333.9819364
+C25H49NO4	428.363194
+C24H22N2+2	340.1712713
+C4H8O2S	120.0245002
+C26H24O5	416.1623739
+C21H26ClN3OS	406.1396156
+C14H15ClN2	248.086446
+C21H36O2	320.2715304
+C13H10Cl2	236.0159557
+C21H36O4	352.2613596
+C5H4N4	124.0317357
+C22H17ClN2	346.1020961
+C21H36O5	368.2562743
+C10H14N5+	209.1095464
+C20H30N2O5S	412.1816126
+C43H65N5O10	816.4583178
+C14H16O10	344.0743467
+C24H47NO10S	542.2891023
+C16H22N4O3	322.1573302
+C13H10ClNO2	248.0370412
+C15H18N2	228.1410684
+C8H9N3O2	182.0605812
+C13H19N3O4	284.1286608
+C8H9N3O4	214.0504105
+C47H51NO14	854.3279902
+C16H22N4O9	418.1268179
+C46H46N2O23	996.2432056
+C28H32Cl2O10P2S2	724.0289171
+C4H8O3S	136.0194148
+C17H26N3O15P	546.1012584
+C14H21N3O2S	298.1265523
+C36H60O2	524.4593312
+C13H20ClNO	242.1203769
+C5H4O2	96.02112937
+C52H82O2	738.6314819
+C5H8N4O12	320.0020113
+C5H4O3	112.016044
+C12H18N2O	208.135983
+C15H21N3O	262.159567
+C11H8O2	172.0524295
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+C11H8O4	204.0422587
+C11H8O5	220.0371734
+C15H10ClN3O3	318.0321736
+C11H8O6	236.032088
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+CH5N3O	78.03436648
+C6H14ClNO2S	200.040412
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+C51H82O23	1062.524689
+C15H18O2	230.1306798
+C15H18O3	246.1255944
+C33H24O10	580.136947
+C20H27NO11	458.1554456
+C15H18O4	262.1205091
+C20H27NO12	474.1503602
+C15H18O5	278.1154237
+C27H36F2O5	478.2530807
+C15H18O6	294.1103383
+C36H51N3O10	688.3485496
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+C12H8N4O6S	340.0045943
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+C28H52O12	580.3458771
+C15H18O8	326.1001676
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+C12H15N5O3	282.1026638
+C13H15NO2	218.1073136
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+C5H7NO2	114.0447134
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+C5H7NO4	146.0345426
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+C15H9I3O5	649.7584024
+C11H17N2+	179.1326948
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+C14H16O4S	280.0769297
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+C21H36BrNO	398.1950623
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+C18H33FeO21	641.0863752
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