
// 222. putative betaine C12H22N2O4 Positive
200.092 923.071
82.0645 866.702
154.085 584.688
60.0809 547.151
110.096 460.
126.091 244.506
55.0537 179.84
156.102 173.
58.0661 152.237
56.0487 126.028
1302.75 105.053
155.094 69.8893
172.107 68.4821
126.12 68.1331
362.316 65.8947
93.074 61.2841
60.1219 59.2269
82.1232 49.0074
200.207 48.3603
74.0309 46.0083
79.0596 45.4167
82.144 45.0096
42.0426 45.
589.218 42.7614
82.2017 40.0388
156.173 39.6544
96.0757 37.605
80.0487 35.0208
67.0499 31.5
82.1848 31.4821
67.1145 31.375
83.066 31.
50.0268 30.0192
55.0908 29.2083
67.0715 27.4821
46.7088 27.3333
200.697 26.675
154.349 26.245
155.383 26.025
60.157 26.
81.0661 25.7788
200.606 25.4083
378.615 25.0833
164.605 24.075
72.6735 24.0489
406.268 23.4444
107.265 23.0489
544.929 23.0208
656.035 22.75
45.0572 22.1635
259.155 22.1111
67.3826 22.0865
335.457 22.0592
156.983 21.9205
81.2112 21.675
1542.45 21.2857
110.165 21.0417
431.781 21.0357
555.408 21.0066
357.853 20.4821
208.17 20.4444
60.1788 20.4444
136.071 20.1838
60.213 20.1635
168.971 20.1429
250.005 20.0489
123.404 20.0066
200.464 19.2841
1206.45 19.025
998.37 19.
200.437 18.875
428.361 18.7813
1539.08 18.4083
1384.46 18.4083
83.0405 18.375
1604.6 18.2917
49.0712 18.225
190.416 18.1
1662.11 18.0357
136.158 18.0357
1441.94 18.0227
457.923 18.0074
1517.88 17.8929
154.589 17.6667
236.754 17.625
345.915 17.5956
84.5447 17.4821
953.618 17.4
155.137 17.375
846.486 17.2857
348.808 17.2813
803.145 17.2045
915.722 17.1429
82.7113 17.0278
836.671 17.025
88.3906 17.025
584.647 17.0083
1667.46 17.
1536.41 17.
457.613 16.8929
123.196 16.6667
254.8 16.5714
1215.92 16.5
43.5991 16.5
191.856 16.4712
198.289 16.4083
471.016 16.375
1146.16 16.3603
48.3132 16.2857
126.045 16.2841
56.1766 16.2841
103.688 16.2813
1337.53 16.2404
43.8738 16.1635
200.563 16.1488
273.648 16.125
151.028 16.1023
97.3645 16.0865
1406.1 16.075
1016.02 16.0417
167.68 16.0417
154.232 16.0417
107.116 16.0357
94.6761 16.0096
1043.79 16.0083
1009.12 16.0083
930.322 16.0083
403.638 16.
93.5146 16.
65.116 16.
82.6502 15.8929
1329.31 15.8897
484.068 15.8897
604.085 15.7813
1502.83 15.7788
751.989 15.6944
134.656 15.6806
62.7276 15.625
903.094 15.5956
1142.02 15.5568
409.827 15.5568
106.694 15.5568
1029.99 15.4712
185.876 15.4712
1024.57 15.4444
730.017 15.4444
126.361 15.2083
469.963 15.2
532.561 15.1667
489.4 15.1667
327.151 15.1635
316.073 15.125
892.727 15.0625
1617.52 15.0357
209.155 15.0313
112.033 15.0313
46.1231 15.0313
999.515 15.0096
908.783 15.0096
238.873 15.0096
1486.03 15.0083
921.624 15.0083
170.897 15.0083
1298.43 15.0074
644.211 15.0074
165.238 15.0074
1073.03 14.8929
279.289 14.75
867.427 14.5625
1389.15 14.5568
1390.02 14.5
1353.83 14.4712
296.438 14.4712
1585.7 14.375
1337.83 14.375
75.6538 14.375
103.453 14.3472
606.46 14.3333
1475.24 14.3214
1061.89 14.3214
144.339 14.3214
110.282 14.3214
851.306 14.2857
80.9641 14.2841
907.643 14.2813
116.687 14.25
1123.79 14.2404
749.509 14.2404
131.762 14.2404
112.301 14.2404
597.152 14.2083
84.7558 14.2083
686.497 14.1667
616.83 14.1635
925.507 14.1429
482.114 14.1429
82.3004 14.1429
1466.82 14.125
1215.75 14.125
434.018 14.125
154.197 14.125
1041.47 14.0865
371.614 14.0865
352.465 14.0865
251.22 14.0865
206.76 14.0865
47.7795 14.0865
983.641 14.075
615.005 14.075
199.242 14.05
261.061 14.0417
1386.58 14.0313
363.28 14.0313
83.4109 14.0313
120.406 14.0278
1308.51 14.0114
223.382 14.0096
927.668 14.0083
157.411 14.0083
80.0756 14.0066
756.692 14.
401.466 14.
200.766 14.
98.4474 14.
56.7737 14.
652.93 13.9205
1278.62 13.8
405.085 13.8
292.011 13.8
864.433 13.7788
235.919 13.7788
78.478 13.7788
1390.45 13.6806
704.601 13.6806
666.416 13.6667
584.768 13.6667
1040.68 13.5714
847.045 13.5714
778.133 13.5714
555.109 13.5714
1224.09 13.5625
295.132 13.5625
290.33 13.5625
1044.14 13.5568
779.39 13.5568
787.492 13.5
418.633 13.5
392.87 13.5
200.251 13.5
1617.75 13.4712
101.184 13.4712
1127.84 13.45
422.189 13.45
173.762 13.4083
1114.71 13.375
793.839 13.375
339.943 13.375
146.475 13.375
1493.24 13.3472
440.47 13.3333
399.322 13.3214
68.3402 13.3214
58.1788 13.3214
456.736 13.2841
885.039 13.2813
773.806 13.2813
203.241 13.2813
301.326 13.25
836.969 13.2404
419.56 13.2404
1049.11 13.1667
188.563 13.1667
79.7139 13.1635
481.752 13.1607
448.617 13.1429
1296.84 13.125
380.218 13.125
200.953 13.125
295.028 13.1111
945.92 13.1023
619.56 13.0865
396.089 13.0865
40.8812 13.0865
1381.74 13.075
422.498 13.075
141.913 13.075
84.1713 13.075
232.393 13.0662
164.077 13.0662
263.775 13.0625
93.1048 13.05
1639.16 13.0417
1399.82 13.0417
547.257 13.0417
452.257 13.0417
429.213 13.0357
412.525 13.0357
276.962 13.0357
859.424 13.0179
1359.96 13.0114
83.2593 13.0114
82.3944 13.0114
940.59 13.0096
186.296 13.0096
175.518 13.0096
479.464 13.0074
372.565 13.0074
1642.18 13.
1153.27 13.
451.218 13.
262.262 13.
195.613 13.
146.928 13.
1347.57 12.8929
114.071 12.875
1691.23 12.8
1196.03 12.7788
860. 12.7788
585.661 12.7788
62.9897 12.7788
689.008 12.6667
1592.74 12.5714
297.494 12.5714
606.774 12.5625
352.095 12.5625
405.594 12.5568
147.26 12.5568
129.874 12.5568
1218.52 12.4712
1058.48 12.4712
158.332 12.4712
96.8234 12.4712
113.699 12.45
78.6304 12.45
1368.88 12.4464
863.697 12.4083
590.757 12.4083
1184.11 12.375
947.226 12.375
1654.54 12.3472
1594.45 12.3214
696.589 12.3214
290.158 12.3214
1539.67 12.2841
562.979 12.2841
352.251 12.2841
288.978 12.2813
902.826 12.25
85.3568 12.25
55.5587 12.25
748.426 12.2404
428.026 12.2404
184.417 12.2404
183.78 12.2404
155.933 12.2404
767.11 12.2
735.675 12.2
1665.89 12.1667
1407.54 12.1667
1296.56 12.1667
1150.49 12.1667
1129.58 12.1667
969.41 12.1667
910.285 12.1667
263.134 12.1667
201.473 12.1667
657.143 12.1429
312.356 12.1429
253.532 12.1429
1329.95 12.125
964.085 12.125
156.304 12.125
145.326 12.125
84.4342 12.125
1436.46 12.1023
307.977 12.1023
69.7156 12.1023
56.2804 12.1023
817.626 12.0865
523.217 12.0865
1093.79 12.0833
1071.96 12.075
1578.89 12.05
551.339 12.05
414.774 12.05
107.876 12.05
1675.35 12.0417
1172.41 12.0417
773.503 12.0417
157.376 12.0417
82.602 12.0417
1619.16 12.0357
1072.52 12.0357
542.096 12.0357
227.122 12.0357
156.513 12.0357
1333.57 12.0313
660.128 12.0313
612.904 12.0179
585.409 12.0139
309.135 12.0139
45.1093 12.0139
275.962 12.0114
134.048 12.0114
107.164 12.0114
820.052 12.0096
725.874 12.0096
453.594 12.0096
338.749 12.0096
56.9357 12.0096
134.878 12.0083
1448.09 12.
1119.81 12.
630.199 12.
160.733 12.
55.2709 12.
1079.5 11.9205
693.664 11.9205
293.174 11.9205
62.954 11.9205
671.829 11.875
1301.24 11.8
1247.96 11.8
1009.47 11.8
202.844 11.8
83.5923 11.8
75.053 11.8
366.082 11.7788
1468.34 11.6806
826.078 11.6806
782.173 11.6806
447.93 11.6806
205.652 11.6806
147.353 11.6806
87.422 11.6806
81.123 11.6806
42.6071 11.6806
1081.79 11.6667
617.411 11.6667
298.256 11.6667
210.692 11.6667
64.7735 11.6667
699.942 11.625
69.7588 11.5714
1258.99 11.5625
437.305 11.5625
374.639 11.5625
1558.2 11.5568
1010.88 11.5568
593.613 11.5568
206.429 11.5568
1525.27 11.4712
1346.3 11.4712
1044.68 11.4712
719.147 11.4712
86.6173 11.4712
1535.4 11.45
861.237 11.45
67.8209 11.45
813.155 11.4464
58.6662 11.4464
1683.64 11.375
1668.25 11.375
462.073 11.3472
367.333 11.3472
154.846 11.3472
1674.49 11.3333
1597.53 11.3333
943.203 11.3333
355.073 11.3214
259.339 11.3214
1502.25 11.2841
1233.36 11.2841
126.162 11.2841
89.834 11.2841
598.678 11.2813
1617.13 11.25
556.499 11.25
134.687 11.25
437.656 11.2404
83.6361 11.2404
220.155 11.225
1650.38 11.2
683.451 11.2
336.369 11.2
163.74 11.2
1062.45 11.1667
771.657 11.1667
63.2847 11.1667
1062.64 11.1607
287.801 11.1429
502.854 11.125
80.2496 11.125
1360.06 11.1023
642.149 11.1023
125.352 11.1023
42.6321 11.1023
1354.62 11.0865
1049.64 11.0865
983.155 11.0865
713.595 11.0865
320.262 11.0865
491.299 11.0833
996.962 11.075
179.088 11.075
1119.05 11.0662
1453.93 11.0625
1065.31 11.0625
424.029 11.0625
112.768 11.0625
1562.43 11.05
1483.1 11.05
524.778 11.05
361.797 11.05
306.883 11.05
272.566 11.05
777.747 11.0417
648.231 11.0417
524.148 11.0417
370.61 11.0417
257.028 11.0417
205.69 11.0417
1471.5 11.0357
1053.04 11.0357
858.535 11.0313
641.51 11.0313
562.641 11.0313
139.609 11.0313
1555.55 11.025
997.215 11.0139
386.109 11.0139
913.174 11.0114
761.427 11.0114
506.154 11.0114
290.392 11.0114
110.24 11.0114
100.08 11.0114
1648.66 11.0096
1498.85 11.0096
1279.39 11.0096
1150.95 11.0096
1060.64 11.0096
623.959 11.0096
573.632 11.0096
501.846 11.0096
406.047 11.0096
594.621 11.0083
488.879 11.0083
45.4719 11.0083
1427.17 11.
827.064 11.
726.322 11.
228.8 11.
233.48 10.9205
68.607 10.9205
1476.3 10.875
167.874 10.875
747.601 10.8
667.34 10.8
149.58 10.8
93.3226 10.8
1633.52 10.6806
1458.23 10.6806
655.744 10.6806
237.312 10.6806
165.199 10.6806
134.594 10.6806
1138.05 10.6667
741.736 10.6667
555.991 10.6667
490.086 10.6667
105.082 10.6667
75.7734 10.6667
716.053 10.625
655.052 10.625
1203.86 10.5625
1068.09 10.5625
1060.04 10.5625
915.657 10.5625
530.797 10.5625
374.809 10.5625
50.0579 10.5625
1445.75 10.5568
582.864 10.5568
61.5236 10.5568
1386.34 10.4712
621.23 10.4712
550.936 10.4712
1322.42 10.45
1182.71 10.45
972.607 10.45
666.459 10.45
368.904 10.45
317.145 10.45
294.859 10.45
112.338 10.45
83.7924 10.45
1551.45 10.4464
886.977 10.4464
777.103 10.4464
541.705 10.4464
99.566 10.4464
1613.52 10.375
572.275 10.375
485.189 10.375
355.278 10.375
215.659 10.375
52.0032 10.375
497.005 10.3472
161.925 10.3472
135.043 10.3472
67.0948 10.3472
60.5256 10.3472
923.898 10.3333
258.77 10.3333
88.7734 10.3214
1328.79 10.2841
1282.32 10.2841
1275.31 10.2841
263.85 10.2841
126.767 10.2841
1154.43 10.25
551.04 10.25
118.795 10.25
99.6284 10.25
76.248 10.25
824.208 10.2404
399.769 10.2404
263.237 10.2404
1159.44 10.225
265.572 10.225
1078.57 10.2083
1437.35 10.2
1280.58 10.2
619.119 10.2
495.309 10.2
270.121 10.2
188.32 10.2
140.454 10.2
62.5709 10.2
1145.03 10.1667
399.093 10.1667
377.635 10.1667
276.429 10.1667
259.21 10.1667
130.673 10.1667
49.9977 10.1607
43.52 10.1607
131.572 10.1429
101.379 10.1429
931.93 10.125
816.406 10.125
518.342 10.125
461.744 10.125
347.393 10.125
159.396 10.125
62.2321 10.125
1380.93 10.1023
1163.68 10.1023
1031.46 10.1023
781.506 10.1023
327.427 10.0865
125.628 10.0865
66.2442 10.0865
48.1247 10.0865
1388.26 10.0833
526.014 10.0833
292.829 10.0833
735.118 10.075
117.973 10.075
1355.5 10.0625
200.401 10.0625
989.867 10.05
566.111 10.05
542.937 10.05
360.099 10.05
158.115 10.05
102.617 10.05
62.6301 10.05
1327.72 10.0417
318.685 10.0417
1007.94 10.0357
864.606 10.0357
91.7723 10.0357
168.128 10.025
1543.89 10.0179
1349.06 10.0179
808.04 10.0179
342.959 10.0179
1533.56 10.0139
1096.14 10.0139
1033.45 10.0139
905.435 10.0139
878.388 10.0139
533.236 10.0139
265.08 10.0139
1218.08 10.0114
1207.56 10.0114
981.952 10.0114
147.676 10.0114
1216.22 10.0096
1114.44 10.0096
1039.44 10.0096
582.239 10.0096
55.0071 10.0083
1613.09 10.
1569.51 10.
1038.16 10.
1034.07 10.
751.061 10.
670.968 10.
659.451 10.
492.788 10.
489.938 10.
387.359 10.
371.079 10.
229.737 10.
225.898 10.
199.996 10.
165.902 10.
43.1084 10.
42.296 10.

