
// 222. putative betaine C12H22N2O4 Negative
154.088 1488.18
198.074 570.721
154.134 165.784
198.13 120.25
367.104 88.9209
136.07 77.21
72.0098 71.1635
72.047 67.1429
154.211 61.1136
329.147 59.5709
154.494 55.0043
601.327 49.3158
155.727 46.245
479.291 43.375
122.049 43.0046
1504.8 42.7794
325.169 41.9073
184.987 41.2663
199.871 40.556
561.285 40.1635
228.524 40.1157
1524.35 39.8167
188.393 39.3491
1564.03 39.2105
47.1523 39.0667
1379.24 39.0054
245.43 38.7857
854.148 38.1912
1219.37 38.1324
154.25 37.8182
154.418 37.4545
1085.9 37.1359
156.899 36.7202
1021.64 36.4464
636.083 35.4464
1108.49 35.2857
154.319 35.2857
446.788 35.2228
201.833 35.125
160.687 34.6923
108.092 34.445
199.975 33.9073
324.565 33.7857
212.784 33.605
1565.8 33.6
959.799 33.5682
511.033 33.4583
156.137 33.4167
230.608 33.0043
1221.79 32.7961
111.547 32.7824
262.867 32.7656
59.1249 32.6429
1048.12 32.6
118.184 32.5202
728.674 32.405
1166.12 32.3491
751.544 32.25
154.666 32.0833
198.236 32.0066
154.457 32.
155.088 31.8929
156.112 31.6
159.172 31.5294
174.646 31.5
120.839 31.3333
50.8769 31.3077
392.391 31.2857
877.745 31.2222
69.4321 31.1731
67.8615 31.1731
385.769 31.0833
1207.32 31.0417
147.563 31.0417
526.007 31.0388
451.057 31.0321
334.293 31.0167
401.751 31.004
154.76 30.962
581.434 30.6576
928.84 30.6429
763.233 30.375
973.366 30.3611
494.189 30.3611
1526.31 30.1488
690.831 30.0769
108.074 30.0083
1641.56 30.0043
476.204 30.
336.563 29.9231
57.5034 29.9185
720.92 29.5208
919.593 29.405
144.613 29.2
1322.69 29.1875
442.402 29.125
503.28 29.0769
247.964 29.0714
125.825 29.045
1297.99 29.0417
1408.11 28.875
373.013 28.8409
965.806 28.625
881.735 28.625
142.853 28.5602
154.592 28.4444
264.042 28.3967
271.707 28.3077
219.744 28.1607
97.959 28.0833
248.885 28.0667
1059.37 28.0083
1584.78 28.006
860.372 27.9185
481.74 27.8897
596.299 27.7778
40.3656 27.75
985.208 27.625
1407.12 27.605
1006.37 27.5208
722.025 27.405
298.506 27.3967
1458.44 27.3611
174.592 27.2426
748.403 27.2228
635.079 27.2228
517.817 27.125
440.462 27.125
1361.11 27.1157
1268.96 27.0833
222.017 27.0227
1115.74 27.0208
1485.96 27.
1506.03 26.8897
163.904 26.7824
842.17 26.75
1233.39 26.6944
150.698 26.6544
1620.69 26.5208
1067.52 26.4803
832.345 26.4803
233.572 26.3611
732.241 26.3393
147.498 26.3333
874.921 26.1488
774.315 26.125
788.412 26.0833
1206.13 26.045
56.9137 26.0417
452.494 26.0313
173.456 26.0208
89.34 26.0208
1498.46 26.006
535.628 26.
304.77 26.
422.932 25.9698
842.038 25.9185
409.072 25.8897
484.52 25.8409
794.378 25.7961
70.31 25.7813
1181.08 25.7202
605.465 25.7202
375.636 25.7202
397.99 25.675
1293.57 25.6544
220.11 25.625
774.836 25.6
595.527 25.6
84.0663 25.6
1085.99 25.5956
339.837 25.5329
887.191 25.5208
502.515 25.5
906.202 25.4803
534.741 25.3333
713.126 25.2857
1171.53 25.225
734.997 25.225
1572.08 25.2045
460.524 25.1838
375.382 25.1488
1410.67 25.1359
353.666 25.125
324.531 25.1157
112.263 25.1118
1450.95 25.0833
274.699 25.0833
497.579 25.075
937.203 25.045
162.59 25.0417
190.19 25.0227
1521.99 25.
183.2 25.
165.232 25.
473.166 24.9205
1087.53 24.8929
797.65 24.8897
229.45 24.8897
1417.21 24.75
794.592 24.75
533.895 24.625
875.028 24.5956
63.6995 24.5682
194.385 24.5329
371.443 24.5313
43.5514 24.5313
235.567 24.5208
126.333 24.4821
232.634 24.4803
641.198 24.4402
183.946 24.405
1650.63 24.4
1228.54 24.3611
41.7937 24.3603
1489.79 24.3393
1148.31 24.3224
1141.77 24.2917
1148.75 24.245
1438.69 24.225
555.523 24.2045
1608.81 24.1875
694.83 24.1607
385.842 24.1488
1525.13 24.1429
51.4709 24.1359
1637.31 24.1157
983.447 24.1136
1022.7 24.0909
249.075 24.0909
352.077 24.0714
141.657 24.0592
107.708 24.0592
1062.65 24.0536
858.588 24.045
1270.89 24.0388
1210.91 24.025
374.767 24.025
264.206 24.025
1041.42 24.0227
463.514 24.0208
980.6 24.0083
389.971 24.0083
981.827 24.0074
60.134 24.006
1141.21 24.0054
197.763 24.
229.254 23.9185
86.92 23.9185
175.753 23.8929
308.044 23.8
240.088 23.7961
1413.54 23.7778
456.236 23.75
271.003 23.7202
412.975 23.6944
270.869 23.6944
1223.05 23.675
91.5987 23.675
1667.87 23.6576
904.344 23.6544
893.335 23.6544
1645.47 23.5707
120.232 23.5329
1401.91 23.4821
60.7531 23.4808
602.284 23.4803
84.9246 23.4803
1638.48 23.4545
353.951 23.4402
1570.38 23.4167
1455.53 23.4083
722.476 23.4083
623.005 23.4083
426.326 23.4083
1206.7 23.4
695.722 23.3393
54.964 23.3333
123.362 23.3224
1429.56 23.2917
715.452 23.2917
801.744 23.2857
202.571 23.2857
1582.32 23.2841
241.138 23.2663
1167.82 23.25
397.07 23.25
154.39 23.25
1693.7 23.225
1082.2 23.225
386.219 23.225
320.54 23.225
359.187 23.2228
1245.41 23.1838
1108.23 23.1838
986.893 23.125
706.051 23.125
134.707 23.1118
925.368 23.0909
504.939 23.0909
875.388 23.0769
236.491 23.0536
118.843 23.0536
138.325 23.025
1507.77 23.0227
493.586 23.0208
117.063 23.0139
175.657 23.0114
649.273 23.0083
576.928 23.0083
1023.03 23.006
751.788 23.006
369.256 23.006
219.769 23.006
1445.61 23.
833.893 23.
107.856 23.
1028.67 22.9013
151.064 22.9013
1278.48 22.9
1599.35 22.875
108.122 22.7813
1245.35 22.7788
71.2314 22.75
1193.21 22.7202
266.888 22.7202
955.995 22.675
230.174 22.6576
601.901 22.625
542.623 22.5329
173.998 22.5329
177.038 22.5313
485.497 22.5
415.24 22.4821
467.052 22.4803
269.458 22.4803
76.5979 22.4803
934.316 22.4712
1086.08 22.45
863.91 22.4083
1371.55 22.4
1142.36 22.4
752.248 22.375
728.713 22.375
344.865 22.375
221.505 22.3636
144.324 22.3393
297.126 22.3214
54.1596 22.25
480.414 22.245
714.446 22.225
1471.53 22.1838
122.563 22.1838
568.26 22.1645
54.3032 22.1645
1251.52 22.1635
781.862 22.1488
497.067 22.1488
1367.8 22.1359
743.486 22.1359
266.165 22.1359
66.4904 22.1359
867.879 22.125
298.909 22.125
1648.3 22.1118
300.912 22.1111
221.744 22.1111
317.94 22.1
1265.53 22.0909
1315.32 22.075
1398.97 22.0592
259.737 22.0592
1395.22 22.0536
1144.33 22.0536
683.084 22.0536
631.357 22.0536
1496.2 22.0489
197.599 22.0489
456.745 22.0357
1584.3 22.0313
1129.85 22.0313
199.141 22.0278
324.803 22.025
87.1245 22.025
408.438 22.0074
70.944 22.0074
976.846 22.006
115.501 22.006
112.456 22.006
48.5543 22.006
724.495 22.
429.792 22.
103.184 22.
142.213 21.9013
338.455 21.9
164.893 21.8929
197.9 21.875
128.132 21.875
58.187 21.8182
357.523 21.7813
1138.05 21.75
1479.26 21.6944
123.135 21.6944
768.827 21.675
622.546 21.675
75.0933 21.675
621.009 21.625
165.171 21.625
66.8216 21.5956
108.361 21.5714
888.997 21.5329
324.48 21.5329
1345.04 21.5313
553.614 21.5313
967.23 21.4712
118.003 21.4712
1657.86 21.4083
242.794 21.4083
851.678 21.375
647.492 21.3603
613.704 21.3603
203.39 21.3603
122.823 21.3603
1053.58 21.3393
193.285 21.3393
1405.98 21.3224
231.591 21.3224
100.142 21.3214
232.666 21.2917
878.723 21.2857
1447.53 21.2813
1172.19 21.2813
1119.37 21.2813
634.73 21.2663
637.893 21.25
574.105 21.25
244.915 21.25
179.605 21.225
1418.57 21.2083
47.7113 21.2083
1545.05 21.2045
122.905 21.2045
650.179 21.1838
57.8857 21.1838
614.427 21.1667
707.462 21.1645
139.992 21.1645
1041.05 21.1488
775.006 21.1488
551.319 21.1488
306.833 21.1488
1483.91 21.125
512.683 21.125
65.5731 21.125
41.064 21.125
760.849 21.1136
1002.62 21.1118
1556.9 21.1111
955.37 21.1111
751.081 21.1111
711.246 21.1
1341.69 21.075
416.663 21.075
123.217 21.075
188.928 21.0536
112.887 21.0489
1069.2 21.0278
757.516 21.0278
216.908 21.0278
1038.06 21.025
1414.31 21.0227
1213.8 21.0227
581.169 21.0227
153.194 21.0227
130.867 21.0227
1560.24 21.0083
497.824 21.0083
148.099 21.0083
888.896 21.0074
1697.95 21.0066
894.662 21.0066
197.986 21.0066
1688.38 21.006
930.027 21.0054
773.173 21.0054
655.154 21.0054
1171.74 21.005
1111.55 21.
908.615 21.
565.042 21.
407.374 21.
420.501 20.9013
1044.27 20.9
750.127 20.9
58.3403 20.9
1611.9 20.8897
1053.03 20.8897
513.59 20.8897
160.956 20.8897
111.893 20.8897
1160.11 20.8
65.6967 20.8
782.121 20.7961
590.706 20.7813
192.278 20.7788
605.039 20.7202
251.361 20.7202
1396.35 20.675
265.378 20.675
832.423 20.625
573.01 20.625
316.175 20.605
428.9 20.5956
246.56 20.5956
231.247 20.5625
441.995 20.5313
902.386 20.5
222.912 20.5
1411.04 20.4821
1137.43 20.4821
572.105 20.4821
198.511 20.4821
1025.36 20.4712
1453.94 20.4083
1274.29 20.4083
1100.21 20.4083
309.579 20.4
55.5603 20.4
47.9255 20.4
650.594 20.375
113.036 20.375
389.424 20.3636
213.571 20.3603
185.496 20.3393
1429.12 20.3214
219.158 20.2917
1525. 20.2857
242.148 20.2857
75.1521 20.2857
1623.9 20.2813
978.528 20.25
592.228 20.25
315.314 20.25
199.35 20.25
83.5398 20.25
1045.31 20.2426
314.286 20.2426
375.287 20.2404
1674. 20.225
1385.29 20.225
467.555 20.1838
1071.6 20.1645
894.833 20.1645
527.822 20.1645
173.252 20.1645
1078.69 20.1635
1542.98 20.1488
561.045 20.1429
210.651 20.1429
999.039 20.125
626.873 20.125
486.19 20.125
332.212 20.125
960.192 20.1111
302.553 20.1111
44.5261 20.1111
156.3 20.1023
1049.07 20.1
307.898 20.1
1665.74 20.075
810.831 20.075
1285.02 20.0662
650.471 20.0662
106.303 20.0662
482.588 20.0592
147.937 20.0592
839.178 20.0536
709.154 20.0536
193.793 20.0536
1035.71 20.0417
324.685 20.0278
271.528 20.0278
246.829 20.0278
92.8655 20.0278
1145.01 20.025
960.654 20.025
826.449 20.025
788.699 20.025
1624.55 20.0083
577.181 20.0083
366.405 20.0083
255.684 20.0083
65.1844 20.0083
1104.46 20.0074
1095.38 20.0074
141.262 20.006
79.3223 20.006
423.674 20.
338.348 20.
176.502 20.
145.139 19.9205
42.3128 19.9205
900.59 19.9013
1573.04 19.9
1165.95 19.9
503.68 19.9
68.5101 19.9
588.82 19.8897
214.73 19.8897
1637.55 19.7961
881.026 19.7961
824.789 19.7961
677.528 19.7961
1463.56 19.7788
1541.08 19.7778
1103.17 19.7778
1623.81 19.6944
1241.2 19.675
356.874 19.675
274.555 19.675
1272.58 19.625
1091.01 19.625
159.349 19.625
149.785 19.625
659.856 19.5956
967.426 19.5714
202.616 19.5329
851.242 19.5313
146.542 19.5313
113.387 19.4821
1503.18 19.4803
289.333 19.4803
1098.2 19.4712
476.239 19.4712
100.296 19.4444
57.3957 19.4083
56.3288 19.4083
803.36 19.4
1015.6 19.375
502.955 19.3611
747.21 19.3603
261.799 19.3603
214.199 19.3603
722.437 19.3472
403.715 19.3214
884.053 19.2917
74.5842 19.2917
1409.15 19.2857
277.664 19.2857
1405.9 19.2813
391.8 19.2813
1621.8 19.25
215.233 19.25
157.988 19.25
1504.15 19.2426
1119.13 19.2426
1090.38 19.2426
244.623 19.2426
1660.46 19.2404
1073.45 19.2404
66.6299 19.2404
1008.24 19.225
289.895 19.225
171.409 19.2083
962.093 19.2045
249.264 19.1838
150.448 19.1838
315.796 19.1667
697.82 19.1645
352.11 19.1645
297.084 19.1635
109.642 19.1488
208.139 19.1429
355.781 19.125
98.479 19.125
87.431 19.125
57.0341 19.125
596.504 19.1118
237.991 19.1111
1538.87 19.1023
1079.62 19.075
607.858 19.075
1621.68 19.0662
513.445 19.0662
448.675 19.0662
349.534 19.0662
40.0899 19.0662
1125.62 19.0625
1091.11 19.0592
1054.29 19.0592
1009.7 19.0592
622.822 19.0592
765.99 19.0536
621.937 19.0417
107.098 19.0417
1461.38 19.0357
1031.72 19.0357
249.02 19.0357
1611.23 19.0313
626.487 19.0313
403.084 19.0313
1453.31 19.0278
737.998 19.0278
1687.98 19.025
1099.28 19.025
437.102 19.025
268.412 19.025
57.7359 19.0096
1106.68 19.0083
104.691 19.0074
78.0267 19.0074
1004.21 19.006
511.512 19.006
1082.77 19.
917.474 19.
713.707 19.
492.492 19.
447.984 19.
196.604 19.
64.5799 19.
63.8546 19.
816.053 18.8929
519.533 18.8929
389.533 18.8929
330.238 18.8929
642.882 18.8182
1570.83 18.7813
806.158 18.7813
427.387 18.7813
114.23 18.7202
1432.57 18.6944
1128.15 18.6944
679.99 18.6944
88.4702 18.6944
523.572 18.6806
239.376 18.6806
1192.28 18.675
40.5548 18.675
111.268 18.625
91.8499 18.625
1607.48 18.5956
1301.85 18.5714
1588.89 18.5329
159.693 18.5329
469.16 18.5313
335.201 18.5313
912.882 18.4821
154.943 18.4821
961.21 18.4803
450.847 18.4712
96.6617 18.4712
63.9222 18.4712
172.85 18.45
878.986 18.4444
231.314 18.4444
146.665 18.4444
1564.22 18.4083
1017.28 18.4083
427.786 18.4083
316.212 18.4083
257.821 18.4083
1379.54 18.4
1102.59 18.4
594.132 18.375
556.99 18.375
186.859 18.375
1501.73 18.3611
728.943 18.3611
234.31 18.3603
154.281 18.3603
82.7621 18.3603
1395.13 18.3224
1249.7 18.3224
1118.01 18.3214
654.595 18.3214
1479.49 18.2857
1658.8 18.2841
1170.03 18.2841
576.182 18.2813
1318.4 18.25
1230.12 18.25
1119.68 18.25
905.765 18.25
813.409 18.25
327.386 18.25
326.402 18.25
186.589 18.25
1197.38 18.2426
1181.35 18.2426
800.72 18.2426
113.633 18.2426
95.575 18.2426
40.827 18.2426
269.221 18.2404
829.416 18.225
1038.13 18.2083
716.494 18.2083
678.586 18.2083
582.536 18.2083
524.157 18.2083
519.118 18.2083
281.876 18.2083
63.8091 18.2083
480.103 18.2
95.6968 18.1838
645.496 18.1667
1163.67 18.1645
213.232 18.1635
44.0025 18.1635
931.704 18.1488
321.998 18.1429
173.07 18.1429
59.5755 18.1359
1046.7 18.125
153.095 18.125
79.6285 18.125
1388.38 18.1111
751.929 18.1111
1087.86 18.0865
46.5514 18.0865
513.38 18.075
490.46 18.075
1435.59 18.0662
892.778 18.0662
172.213 18.0662
87.5934 18.0592
1489.31 18.0417
1464.5 18.0417
1152.65 18.0417
383.507 18.0417
184.568 18.0417
50.7321 18.0417
1516.19 18.0357
630.781 18.0357
1239.58 18.0313
1117.34 18.0313
948.213 18.0313
680.227 18.0313
492.047 18.0313
79.0267 18.0313
1347.77 18.0278
691.69 18.0278
224.705 18.0278
1463.7 18.025
209.754 18.0096
1677.96 18.0083
1468.47 18.0083
1209.21 18.0083
1116.98 18.0083
966.575 18.0083
516.096 18.0083
59.0154 18.0083
1328.47 18.0074
1262.92 18.0074
1258.26 18.0074
51.3969 18.0074
686.712 18.0066
589.763 18.0066
167.925 18.006
45.1399 18.006
1679.75 18.
1562.76 18.
689.733 18.
450.328 18.
342.014 18.
292.515 18.
221.667 18.
185.074 18.
159.837 18.
157.427 18.
67.191 17.9205
99.3116 17.9
1567.14 17.8929
1160.67 17.8929
248.355 17.8929
176.725 17.8929
175.344 17.8929
877.206 17.8897
1623.98 17.8
1353.54 17.7813
930.746 17.7813
905.182 17.7813
64.0043 17.7788
1613.39 17.7202
1693.3 17.6944
137.79 17.675
435.448 17.6667
335.674 17.6667
816.24 17.5956
194.582 17.5956
1428.58 17.5714
1214.96 17.5714
784.03 17.5714
645.64 17.5714
117.366 17.5568
1606.01 17.5329
86.2899 17.5329
111.589 17.5
85.8798 17.4712
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538.735 17.
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1289.22 16.
662.918 16.
449.379 16.
434.77 16.
433.791 16.
388.418 16.
129.475 16.
103.808 16.
92.9155 16.
71.8589 16.
62.1721 16.
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1599.15 15.
1597.53 15.
1359.21 15.
1133.72 15.
931.897 15.
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527.269 15.
200.347 15.
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814.406 14.
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133.369 14.
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755.688 10.
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609.385 10.
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502.644 10.
472.686 10.
442.906 10.
406.744 10.
328.474 10.
287.938 10.
270.396 10.
206.301 10.
165.072 10.
89.2714 10.
50.6603 10.
42.8339 10.

