
// 228. putative betaine C12H22N2O4S Positive
82.0663 1018.25
214.054 768.761
58.0655 725.627
232.066 654.222
60.0816 576.403
154.088 512.92
59.074 496.692
126.092 400.201
83.0506 149.408
59.1024 97.7212
233.07 94.8409
184.098 87.8182
111.029 87.0947
96.0798 84.1361
67.0552 84.125
80.0504 81.5
106.081 74.1571
82.1122 71.75
291.139 63.205
126.055 56.1488
108.082 52.5577
44.0563 52.338
154.157 52.005
58.1028 47.7778
79.0484 47.3224
65.4083 47.0139
94.0495 45.4083
163.06 43.5294
82.148 41.875
232.211 41.5
292.136 39.2308
81.0661 38.8935
126.142 37.4083
126.169 36.0321
126.679 34.35
154.233 33.7202
80.1568 31.5625
58.1532 30.0363
58.1314 30.
214.24 29.3636
186.055 29.045
107.548 28.875
168.066 28.1607
157.112 27.0417
1613.86 25.0054
140.057 25.
108.403 25.
157.442 24.3611
56.0506 24.3214
73.5658 24.0388
204.068 24.025
136.075 24.0083
531.651 24.0046
767.218 23.7788
61.2994 23.5714
158.054 23.2426
82.1685 23.1607
154.326 22.8929
669.242 22.75
214.273 22.125
214.341 22.0227
77.0475 21.8
59.3501 21.8
156.837 21.5329
216.899 21.3636
98.1076 21.0909
108.104 21.0074
214.741 20.7788
60.0426 20.25
215.05 20.2426
108.211 20.0833
44.0968 20.05
1476.23 20.0313
86.3803 19.9205
83.1331 19.8929
123.028 19.675
374.431 19.5
741.23 19.3611
59.1283 19.25
175.786 19.1136
598.931 19.1111
749.101 19.0536
82.6653 19.0536
230.964 19.0227
503.401 19.0074
759.5 19.005
1542.21 19.
126.198 18.9205
111.454 18.7961
808.849 18.5568
232.601 18.3472
1140.83 18.1645
1150.45 18.125
368.76 18.125
59.5022 18.125
91.0521 18.0865
710.081 18.075
154.407 18.075
615.219 18.0592
58.2712 18.0278
82.2651 18.0114
1595.62 18.0066
1513.72 18.
67.3575 17.9205
538.666 17.8929
407.957 17.7813
732.011 17.6667
928.369 17.5
690.994 17.5
169.323 17.5
1249.82 17.4083
575.905 17.4083
580.435 17.3611
233.577 17.3472
344.147 17.2404
41.0404 17.1607
1137.83 17.125
281.76 17.075
1032.95 17.0536
280.732 17.0313
92.6148 17.0278
232.279 17.0179
1427.01 17.0096
1508.79 17.0083
154.447 16.9205
636.533 16.8929
84.1684 16.8929
204.107 16.7788
173.587 16.6667
952.422 16.5313
577.235 16.5
135.466 16.5
59.6497 16.5
782.686 16.4464
1034.78 16.4083
83.1891 16.4083
44.4161 16.4083
118.683 16.375
769.02 16.3214
43.041 16.3214
163.094 16.25
140.08 16.25
1044.75 16.1667
765.003 16.1429
648.742 16.1111
1595.87 16.1
198.614 16.0417
1457.42 16.0278
58.1752 16.0114
93.5212 16.0096
625.335 16.0083
440.481 16.0083
45.9878 16.0083
555.368 16.0066
1684.79 16.
1221.26 16.
760.985 16.
149.732 16.
151.725 15.9205
389.756 15.7813
121.107 15.7788
730.366 15.625
1172.59 15.5956
112.294 15.5714
154.606 15.5329
109.092 15.5
1185.39 15.4712
591.548 15.45
154.355 15.45
830.587 15.4083
44.4588 15.4083
1495.4 15.375
760.148 15.3603
214.644 15.3603
199.729 15.3603
171.423 15.3603
171.063 15.3224
896.672 15.2857
374.531 15.25
232.463 15.2404
124.17 15.2404
1532.71 15.2083
205.281 15.2083
1234.71 15.1838
575.693 15.1838
67.1014 15.1667
60.8668 15.1667
1105.65 15.1635
60.3641 15.1635
343.11 15.125
215.132 15.125
830.402 15.1023
261.957 15.0417
128.765 15.0417
83.7837 15.0357
601.163 15.0313
544.22 15.0313
176.759 15.0313
593.379 15.0083
140.539 15.0083
561.094 15.
61.3859 15.
1382.79 14.8929
681.571 14.8929
206.511 14.8
741.416 14.6806
78.2601 14.6806
166.081 14.675
83.1003 14.625
1275.13 14.5568
250.158 14.5568
1132.66 14.4712
1012.98 14.4712
227.088 14.4712
413.829 14.375
207.083 14.375
85.773 14.375
193.29 14.3603
1210.9 14.3472
878.495 14.3472
233.132 14.3333
464.038 14.3214
61.6783 14.3214
391.065 14.2841
147.544 14.2813
1647.76 14.25
1446.57 14.25
261.791 14.2404
192.827 14.2404
501.372 14.2083
823.073 14.1667
587.49 14.1667
404.076 14.1667
86.3997 14.1667
449.019 14.1645
1113.85 14.1429
266.085 14.125
125.841 14.125
61.6016 14.125
1538.5 14.1023
829.052 14.1023
83.9677 14.1023
630.934 14.0865
1295.44 14.075
849.798 14.05
728.893 14.0417
562.547 14.0417
301.503 14.0417
244.461 14.0417
149.98 14.0417
61.4175 14.0417
314.01 14.0313
310.154 14.0313
136.655 14.0114
1214.36 14.0096
517.638 14.0096
98.3176 14.0083
97.4392 14.0083
1371.22 14.0074
1340.65 14.
1189.42 14.
1143.84 14.
329.671 14.
61.359 14.
718.259 13.8929
471.138 13.8929
214.569 13.7813
1262.96 13.6806
128.183 13.6806
197.881 13.675
1190.9 13.6667
250.462 13.6667
1040.44 13.5714
1407.27 13.5625
1399.27 13.5625
102.255 13.5625
803.873 13.5568
328.224 13.5568
63.9165 13.4712
85.1777 13.45
104.018 13.4464
60.1953 13.4464
1436.92 13.4083
1148.45 13.375
686.619 13.375
480.659 13.375
372.705 13.375
321.054 13.375
262.306 13.375
55.5622 13.375
85.7338 13.3472
580.873 13.3214
173.228 13.3214
779.22 13.2841
655.073 13.2841
612.425 13.2841
225.433 13.2841
182.123 13.2813
116.319 13.2813
1669.75 13.2404
81.1343 13.225
236.684 13.2083
1559.12 13.2
1021.06 13.1667
956.149 13.1667
1032.59 13.1635
761.677 13.1607
862.737 13.1429
522.642 13.1429
405.471 13.1429
62.5222 13.1429
1593.44 13.125
1423.52 13.125
591.3 13.125
425.572 13.125
372. 13.125
118.869 13.125
83.8361 13.125
56.109 13.125
1618.88 13.1023
1507.14 13.1023
1423.31 13.0865
1264.13 13.075
233.46 13.075
1650.98 13.0417
1581.46 13.0417
950.112 13.0417
264.675 13.0417
238.025 13.0417
197.01 13.0417
165.401 13.0417
74.7647 13.0417
70.6442 13.0417
655.896 13.0357
618.848 13.0357
105.393 13.0357
221.299 13.0313
920.807 13.025
215.637 13.0179
236.94 13.0139
1239.32 13.0114
969.445 13.0114
729.646 13.0114
251.839 13.0114
165.254 13.0114
1179.82 13.0096
1279.61 13.0083
386.774 13.0083
126.298 13.0083
1109.57 13.
1065.32 13.
490.294 13.
424.574 13.
139.497 13.
116.975 13.
91.2034 13.
1301.75 12.9205
1231.68 12.9205
217.138 12.9205
103.795 12.8929
1018.94 12.875
1590.82 12.8
1232.26 12.8
291.481 12.8
148.647 12.7788
600.031 12.6806
1073.29 12.675
251.549 12.675
782.616 12.6667
457.682 12.6667
1453.89 12.5714
921.974 12.5714
70.9563 12.5714
166.824 12.5625
1434.4 12.5568
821.057 12.5568
510.368 12.5568
1247.97 12.4712
549.567 12.4712
339.205 12.4712
1221.73 12.45
1141.82 12.45
617.242 12.45
191.334 12.45
285.878 12.4464
61.9842 12.4083
376.769 12.375
320.111 12.375
214.17 12.375
504.35 12.3472
129.603 12.3214
568.73 12.2841
565.309 12.2841
99.589 12.2841
245.83 12.2813
189.013 12.2813
273.639 12.25
166.159 12.25
61.2369 12.25
1410.12 12.2404
1202.71 12.2404
471.297 12.2404
135.839 12.2404
779.38 12.2
139.129 12.2
381.912 12.1667
257.995 12.1667
214.853 12.1667
127.615 12.1667
1434.1 12.1429
155.284 12.1429
515.189 12.125
285.925 12.125
190.393 12.125
111.071 12.125
289.573 12.1023
148.381 12.1023
119.259 12.1023
1386.41 12.0865
1016.67 12.0865
418.634 12.0865
66.9509 12.0865
44.0089 12.0865
1329.29 12.075
690.465 12.075
152.378 12.075
916.917 12.0662
1403.05 12.05
1063.07 12.05
827.337 12.05
454.241 12.05
438.772 12.05
70.8836 12.05
1056.46 12.0417
1002.32 12.0417
802.805 12.0417
686.947 12.0417
427.854 12.0417
248.839 12.0417
194.206 12.0417
177.201 12.0417
108.529 12.0417
56.0716 12.0417
975.984 12.0357
372.842 12.0357
122.96 12.0357
92.0698 12.0357
713.749 12.0313
1649.54 12.0114
433.401 12.0114
322.934 12.0114
163.491 12.0114
93.1558 12.0114
79.9484 12.0096
750.104 12.0083
683.798 12.0083
62.1649 12.0083
371.527 12.0074
1260. 12.
722.53 12.
488.33 12.
252.54 12.
155.105 12.
145.078 12.
127.014 12.
659.972 11.9205
377.105 11.9205
128.077 11.9205
83.3195 11.9205
59.6805 11.9205
349.766 11.875
223.859 11.875
83.2037 11.875
1218.08 11.8
163.591 11.8
69.8711 11.8
1484.69 11.7788
889.223 11.7788
358.56 11.7788
1397.25 11.75
198.836 11.75
60.2661 11.75
1698.94 11.6806
691.333 11.6806
1120.4 11.6667
966.846 11.6667
201.63 11.6667
183.27 11.6667
93.8566 11.625
1191.4 11.5714
580.598 11.5714
218.166 11.5714
1540.46 11.5625
82.4241 11.5625
535.226 11.5568
280.053 11.5568
44.8943 11.5568
1662.34 11.4712
120.602 11.4712
76.2083 11.4712
1609.59 11.45
1435.49 11.45
469.919 11.45
208.388 11.45
187.157 11.45
1006.74 11.375
562.751 11.375
1638.81 11.3472
995.486 11.3472
605.113 11.3472
380.656 11.3472
305.573 11.3472
215.02 11.3472
125.25 11.3472
1615.86 11.3214
732.62 11.3214
923.435 11.2841
243.975 11.2841
653.2 11.2813
50.4572 11.25
667.819 11.2404
198.469 11.2404
970.665 11.225
1247.34 11.2083
892.709 11.2
877.439 11.2
607.358 11.2
575.142 11.2
333.604 11.2
291.733 11.2
272.065 11.2
137.702 11.2
834.668 11.1667
970.887 11.1607
379.196 11.1429
139.908 11.1429
551.932 11.125
404.698 11.125
254.127 11.125
62.1287 11.125
1691.31 11.1023
441.055 11.1023
1176.87 11.0865
114.841 11.0865
161.338 11.075
476.083 11.0625
380.09 11.0625
183.322 11.0625
931.179 11.05
889.903 11.05
700.876 11.05
490.021 11.05
339.658 11.05
154.848 11.05
125.277 11.05
104.472 11.05
74.9182 11.05
1219.78 11.0417
975.555 11.0417
202.687 11.0417
56.4663 11.0417
907.902 11.0357
634.118 11.0357
322.481 11.0357
1466.8 11.025
109.959 11.025
555.435 11.0179
109.16 11.0179
999.659 11.0139
441.164 11.0139
1078.66 11.0114
877.794 11.0114
652.512 11.0114
583.693 11.0114
362.244 11.0114
1453.4 11.0096
1445.49 11.0096
1202.41 11.0096
1142.05 11.0096
640.032 11.0096
178.722 11.0096
1045.73 11.0083
69.1911 11.0083
1678.2 11.
1509.67 11.
1490.04 11.
1217.52 11.
998.139 11.
591.072 11.
444.225 11.
410.388 11.
381.531 11.
232.988 11.
165.91 11.
114.445 11.
82.6029 11.
841.695 10.9205
618.724 10.9205
152.224 10.9205
135.082 10.875
59.1689 10.875
1470.93 10.8
1021.5 10.8
453.026 10.8
1564.96 10.6806
350.15 10.6806
114.82 10.6806
1368.44 10.6667
1274.15 10.6667
221.113 10.6667
1350.88 10.5625
781.005 10.5625
482.073 10.5625
415.191 10.5625
391.162 10.5625
49.3962 10.5625
434.632 10.5568
127.122 10.5568
87.826 10.5568
1541.56 10.4712
854.446 10.4712
654.812 10.4712
1179.27 10.45
736.716 10.45
617.198 10.45
353.616 10.45
171.399 10.45
113.483 10.45
80.2107 10.45
1562.44 10.4464
1427.29 10.4464
1255.44 10.4464
83.8589 10.4464
1456.46 10.375
819.642 10.375
542.737 10.375
469.483 10.375
90.7277 10.375
1359.77 10.3472
1194.17 10.3472
1037.06 10.3472
912.86 10.3472
890.55 10.3472
878.437 10.3472
696.587 10.3472
361.015 10.3472
323.482 10.3472
228.756 10.3472
53.9474 10.3472
48.1818 10.3472
1471.96 10.2841
880.87 10.2841
690.345 10.2841
604.948 10.2841
397.789 10.25
244.564 10.25
238.369 10.25
852.788 10.2404
41.8546 10.2404
214.615 10.225
1234.07 10.2
279.754 10.2
222.067 10.2
116.709 10.2
89.0609 10.2
69.932 10.2
52.996 10.2
42.2705 10.2
1536.52 10.1667
944.582 10.1667
412.119 10.1667
224.386 10.1667
60.1534 10.1667
1679.66 10.1607
1053.13 10.1607
970.287 10.1607
785.127 10.1607
537.37 10.1607
413.502 10.1607
100.126 10.1607
331.108 10.1429
117.887 10.1429
1054.17 10.125
627.728 10.125
524.874 10.125
432.067 10.125
244.046 10.125
63.4722 10.125
1520.78 10.1023
1307.37 10.1023
825.64 10.1023
800.372 10.1023
184.169 10.1023
130.923 10.1023
967.324 10.0865
400.343 10.0865
367.607 10.0865
96.7562 10.0865
45.4417 10.0865
767.716 10.075
635.648 10.075
938.817 10.0625
318.82 10.0625
151.34 10.0625
1161.22 10.05
635.951 10.05
475.147 10.05
249.572 10.05
1334.18 10.0417
765.987 10.0417
674.854 10.0417
521.922 10.0417
470.252 10.0417
267.081 10.0417
151.15 10.0417
101.305 10.0417
70.8352 10.0417
943.174 10.0357
204.535 10.0357
1592.25 10.0179
1082.75 10.0179
158.253 10.0179
973.766 10.0139
786.431 10.0139
525.96 10.0139
508.801 10.0139
201.807 10.0139
183.013 10.0139
154.727 10.0139
655.735 10.0114
126.962 10.0114
1440.24 10.0096
1084.65 10.0096
309.368 10.0096
225.133 10.0096
113.873 10.0096
1026.7 10.0083
89.185 10.0083
1685.55 10.
1436.41 10.
1348.93 10.
1055.27 10.
901.132 10.
857.663 10.
298.601 10.
130.09 10.
125.996 10.
102.705 10.
72.5084 10.

