:
: SOS sample data
: EXAMPLE.TXT
: DNA sequence 5'-CGAGCTCG-3'
: q-TOF2 CID spectrum 80eV
: precursor m/z 601.3 (-4)
: monoisotopic mass = 2409.441
:
107.0547	4.189e0
110.0499	5.775e2
110.1713	2.102e0
111.0516	3.658e1
125.0481	1.678e2
126.0493	1.167e1
129.1040	2.232e0
133.0269	1.066e1
134.0587	9.324e2
134.1843	2.193e0
135.0612	6.809e1
136.0635	3.096e0
137.0066	4.053e0
141.1276	2.534e0
150.0529	3.238e2
151.0544	2.545e1
156.1091	3.368e0
157.1325	9.543e0
158.9360	4.137e0
165.0686	2.283e0
166.9987	2.019e0
168.1402	2.169e0
170.1269	8.010e0
171.1268	2.315e0
172.1093	4.206e0
172.5307	4.263e1
173.0305	4.377e0
173.1079	2.454e0
177.0045	2.536e2
178.0110	1.431e1
179.0051	3.364e0
184.1397	3.587e0
186.1211	1.729e1
187.1115	5.744e0
190.0073	9.662e0
191.0356	4.623e0
194.0408	2.067e0
195.0139	3.368e1
200.1393	3.447e0
201.1248	3.507e0
214.0181	4.799e0
214.1385	2.976e0
227.2137	2.406e0
230.0165	3.683e1
231.0079	4.162e0
241.2049	2.371e0
242.1762	2.349e0
245.0371	5.454e0
248.0842	3.271e0
254.2526	2.404e0
255.2353	6.943e0
256.2431	4.212e0
256.9698	8.701e0
261.5255	4.945e0
266.0899	9.408e0
267.0921	2.690e0
267.2216	3.671e0
268.2259	3.396e0
269.2427	5.569e0
271.2318	3.850e0
275.0406	1.713e1
278.2502	8.689e0
279.2567	3.344e0
280.2699	1.552e1
281.2618	7.496e0
284.2377	2.295e0
288.0432	1.419e2
289.0470	1.679e1
290.0508	2.299e0
290.2122	2.656e0
292.2292	5.782e0
293.2270	2.165e0
294.2490	1.750e1
295.2451	4.832e0
296.2597	1.586e1
297.2575	7.840e0
298.2662	2.847e0
303.0435	1.851e2
303.2220	2.338e0
304.0490	2.461e1
305.0524	4.019e0
305.1856	2.067e1
306.0543	2.410e1
306.1944	4.297e0
307.0596	3.186e0
307.2088	2.804e0
308.2331	3.213e0
309.2209	2.005e0
310.2436	4.832e0
311.2358	3.515e0
312.0545	1.046e2
312.2593	1.091e1
312.3745	1.112e1
312.7096	5.874e0
313.0550	1.310e1
313.2527	4.958e0
314.2754	1.391e1
315.2698	4.615e0
317.0448	1.724e2
317.5465	4.787e1
318.0472	1.169e1
319.1746	1.418e1
320.2032	5.257e0
321.1786	4.649e2
322.1810	2.757e1
323.1759	3.967e0
326.2422	3.770e0
328.0493	1.360e2
328.2517	2.860e0
329.0511	1.782e1
329.2256	2.250e0
330.0703	6.362e0
330.2696	2.733e0
331.2427	2.149e0
335.5246	2.102e0
344.5286	3.532e0
345.2408	2.898e0
346.0591	5.960e2
346.2574	2.830e0
347.0605	8.329e1
348.0632	1.175e1
355.0009	3.960e0
357.0571	5.931e1
357.5542	1.912e1
358.0531	4.370e0
361.2174	2.163e0
368.0090	8.500e0
369.0393	2.250e0
372.0546	2.745e0
376.2250	2.406e0
382.0637	1.055e1
382.3966	6.374e0
383.0277	6.821e0
384.5311	6.222e0
385.0447	2.052e0
386.0768	1.518e2
387.0792	2.813e1
388.0763	5.469e0
392.0331	3.706e0
393.5391	5.182e0
401.0237	9.864e0
406.0512	2.557e0
408.0316	2.190e1
408.7166	2.717e1
409.0473	1.831e1
409.3947	4.414e0
410.0788	7.144e0
413.5488	3.329e0
423.2620	2.305e0
425.0496	5.203e0
425.3931	3.125e0
426.0645	1.062e2
427.0680	1.616e1
428.0664	3.067e0
433.3117	2.240e0
433.5754	6.406e0
434.0919	2.819e0
439.0793	3.252e0
444.0961	1.380e1
445.0824	2.999e0
446.0554	2.041e0
448.0259	3.569e0
451.7315	1.257e1
452.0648	6.207e0
452.3999	2.292e0
453.2954	2.459e0
459.8036	2.877e0
460.0612	2.143e0
460.3438	3.905e0
460.8078	2.741e0
461.3045	2.541e0
463.0093	2.228e0
463.0666	2.085e0
464.5638	2.599e0
465.0627	2.868e0
466.0429	4.589e1
466.8139	3.013e0
467.0460	8.458e0
467.3027	2.179e0
468.0430	3.794e0
469.0630	2.380e2
469.5643	8.746e1
470.0634	2.525e1
470.5687	5.906e0
472.0614	4.137e0
473.5742	3.526e0
480.8641	2.684e1
481.0483	7.917e1
481.2679	1.495e1
481.4619	6.853e0
481.6747	2.386e0
482.0506	1.363e1
483.0474	2.886e0
484.0509	1.051e1
484.3545	3.446e0
485.0612	2.536e0
485.3429	2.624e0
486.0670	2.395e0
488.0398	1.947e1
489.0415	5.716e0
489.6529	2.890e0
489.8658	4.537e0
490.0557	3.907e1
491.0557	6.156e0
491.7462	6.971e0
492.0761	5.196e0
494.0826	3.202e0
500.0600	2.223e0
506.0495	2.877e2
507.0521	5.939e1
508.0487	1.211e1
509.0426	1.290e1
509.5417	3.908e0
510.0514	2.418e0
512.3893	3.046e0
513.5784	3.406e1
514.0824	1.316e1
514.5823	3.535e0
518.0755	3.564e0
518.3947	5.087e1
518.7309	3.385e1
519.0709	1.695e1
519.3633	3.974e0
521.4075	4.760e0
521.5715	3.012e0
521.7496	3.560e0
522.0803	2.568e0
523.3220	2.080e0
524.0569	1.373e1
524.5688	2.355e0
525.0717	3.570e0
529.0744	1.899e1
529.3251	1.502e1
529.5726	9.369e0
529.8235	5.502e0
530.0781	3.538e0
533.5737	9.087e0
534.0745	5.655e0
537.1223	5.838e1
538.1047	1.769e1
538.5639	3.817e0
539.0833	5.442e0
539.3220	3.753e0
540.0605	3.013e0
548.0770	1.038e1
548.4094	1.134e1
548.7431	4.847e0
549.0653	4.041e1
549.3174	1.461e1
549.5652	1.438e1
549.8271	2.419e0
550.0560	4.259e0
550.5615	2.094e0
551.0691	2.728e0
553.3984	2.223e0
553.5646	7.827e0
554.0673	4.332e0
555.1361	9.098e1
555.5470	2.196e0
556.1337	2.080e1
557.1483	4.288e0
558.0690	3.234e0
561.0428	4.193e0
561.1296	3.218e0
561.9830	3.410e0
563.5778	9.619e0
563.8272	7.052e0
564.0774	8.517e0
564.5927	8.644e0
565.0975	4.842e0
565.4062	2.062e0
567.5747	6.584e0
567.8296	7.097e0
568.0704	2.834e0
568.3251	3.163e0
572.4050	2.155e0
573.5842	7.704e1
573.8286	2.067e1
574.0859	4.070e1
574.3354	3.690e0
574.5914	1.078e1
575.0894	2.574e0
579.1163	2.567e0
579.7344	2.545e0
580.0749	3.760e0
580.9679	3.510e0
586.0471	4.247e0
588.0746	2.379e0
589.0965	8.707e0
589.5959	4.563e0
590.0944	5.785e0
590.4254	4.262e0
590.5924	2.343e0
590.7491	2.573e0
590.8563	2.159e0
591.0975	2.450e0
592.0884	2.655e1
593.0944	5.556e0
594.0753	2.569e0
596.0939	7.502e0
596.4336	8.488e0
596.7509	2.411e0
598.1063	1.624e1
598.6066	6.984e0
599.1118	4.786e0
599.5889	2.042e0
600.1151	2.822e0
600.4025	2.074e1
600.9001	9.202e0
601.0649	3.769e0
601.3403	3.372e2
601.5862	3.133e2
601.8402	1.895e2
602.0895	7.610e1
602.3587	4.112e1
602.5799	1.087e1
602.8795	5.925e0
603.0679	5.652e0
603.2104	4.053e0
603.3945	7.999e0
603.6452	3.201e0
603.8548	4.707e0
604.0854	6.335e1
604.4161	5.914e0
604.5762	1.276e1
604.7603	2.701e0
605.0861	2.376e1
605.5785	2.647e0
605.6884	2.031e0
606.0908	5.668e0
607.1044	2.681e0
608.0785	2.665e0
610.1039	7.283e0
610.5909	8.475e0
611.0886	7.353e0
611.5919	2.024e0
612.4228	2.920e0
612.7495	3.065e0
613.5848	2.070e2
614.0851	1.027e2
614.5871	3.519e1
615.0814	8.039e0
616.5801	5.511e0
616.7524	7.456e0
617.0903	9.373e1
617.4268	3.045e0
618.0975	2.482e1
619.1060	5.281e0
622.5840	1.157e1
622.7469	4.191e1
623.0867	3.698e1
623.4189	1.511e1
623.6036	2.396e0
623.7620	4.859e0
624.0833	2.893e0
625.5516	2.138e0
629.0850	1.086e1
629.5883	5.265e0
635.1005	2.622e2
636.1055	6.829e1
637.1183	1.577e1
638.0966	1.847e1
638.5928	8.994e0
639.0928	2.723e0
641.1010	1.732e1
642.1202	3.900e0
644.5605	2.634e0
645.0812	2.047e0
647.0858	5.792e0
649.4244	4.394e1
649.7586	3.851e1
650.0868	1.982e1
650.4289	8.597e0
650.7458	2.468e0
651.0677	2.999e0
653.5842	3.643e1
654.0861	1.960e1
654.5835	5.979e0
655.0762	2.670e0
655.4194	7.035e0
655.7660	4.687e0
656.1148	3.249e0
657.1113	3.411e0
659.1083	9.350e0
660.0931	2.042e0
661.1097	3.678e0
662.5961	9.913e0
663.0935	6.489e0
665.5612	3.041e0
666.0743	2.311e0
672.0898	1.035e1
673.1087	2.425e0
678.1051	1.284e2
678.6088	6.627e1
679.1076	2.637e1
679.6092	7.416e0
680.0968	2.979e0
682.0776	5.125e0
682.4277	4.125e0
682.5838	4.632e0
682.7486	3.256e0
683.1083	2.604e0
684.0624	3.795e0
686.4421	3.868e0
687.0858	2.029e0
687.4158	3.181e0
687.7501	3.068e0
690.0935	1.644e1
691.1031	4.040e0
692.4404	2.072e0
693.5862	7.685e0
694.0974	2.652e0
697.0618	7.763e0
698.1132	2.281e0
702.5850	4.840e1
703.0858	3.006e1
703.5823	1.086e1
704.0892	3.939e0
705.5850	2.104e1
705.7753	4.694e1
706.1046	5.443e1
706.4512	2.495e1
706.6111	3.428e0
706.7753	1.055e1
707.1021	4.461e0
708.1413	2.874e0
709.1106	2.032e0
712.1295	2.781e0
712.6050	3.214e0
714.7596	2.091e0
715.1275	8.665e2
715.4058	3.815e0
715.5728	3.203e0
716.1320	2.498e2
716.5334	2.962e0
716.7181	2.166e0
717.1358	6.199e1
717.4571	2.217e0
718.1032	2.622e1
718.5933	9.346e0
719.1057	5.141e0
719.4484	2.489e0
720.0981	3.854e0
720.4312	2.810e0
721.0898	9.054e0
722.1207	4.042e0
722.5923	1.706e1
723.0856	1.136e1
723.5845	4.544e0
729.1296	8.257e0
729.6209	4.684e0
730.1459	3.135e0
732.4282	2.697e1
732.7668	2.395e1
733.1013	1.518e1
733.4403	5.934e0
733.6201	1.756e1
734.1256	1.279e1
734.6026	3.245e0
738.1247	2.904e2
738.6274	1.794e2
738.8752	2.347e0
739.1314	1.397e2
739.6288	2.000e1
740.1366	2.620e1
740.6272	2.758e0
741.1354	8.382e0
741.6378	3.456e0
742.1690	2.649e0
742.6348	4.809e0
743.1299	3.109e0
747.1026	2.171e0
750.1271	2.022e0
751.7729	6.110e0
752.1031	1.129e1
752.4467	3.417e0
755.1071	4.248e0
755.5962	2.471e0
756.5991	3.623e0
757.1077	1.835e1
757.4431	1.397e1
757.7618	7.203e0
758.1070	4.319e0
765.1199	8.420e0
765.4396	9.753e0
765.7712	4.046e0
766.1112	2.004e0
767.1057	3.037e0
767.6008	2.249e0
769.0956	4.930e0
769.5991	4.260e0
770.0901	5.528e1
771.0903	1.539e1
772.1025	4.565e0
773.6138	2.498e0
777.0916	2.493e0
778.1086	4.624e2
778.6118	2.856e2
779.1162	1.127e2
779.6151	3.890e1
780.1056	1.025e1
780.3512	2.083e0
780.6329	2.633e0
781.1134	1.316e1
781.6093	8.761e0
782.1267	3.843e0
782.6323	2.136e0
783.1039	2.420e0
788.0996	1.580e1
789.1091	5.696e0
790.1197	3.988e0
790.6239	2.391e0
794.5814	2.311e0
795.0980	4.153e1
796.0995	1.349e1
797.0939	4.106e0
801.1094	7.121e0
802.1138	3.154e0
810.1090	3.816e0
810.6390	3.225e0
813.1082	5.855e0
814.1234	2.038e0
818.1201	5.798e0
818.6219	3.231e0
819.1062	7.844e1
819.6127	2.371e0
820.1094	2.464e1
821.1066	8.468e0
822.0984	2.737e0
822.6281	4.250e1
823.1279	2.771e1
823.6226	1.249e1
824.1383	5.528e0
827.1273	4.468e0
827.6226	2.693e0
828.1010	3.264e0
829.1094	2.159e0
830.1291	2.424e1
830.6436	1.446e1
831.1467	5.189e0
835.1328	2.265e0
838.1188	2.383e0
839.1309	3.373e0
839.6445	2.215e0
841.1667	1.946e1
842.1768	6.710e0
850.1819	4.590e1
851.1700	2.144e1
852.1630	4.313e0
859.1825	1.197e2
859.6218	5.308e0
860.1816	4.363e1
861.1931	1.146e1
862.1952	2.023e0
867.1342	3.474e0
867.6119	2.207e0
868.1820	1.010e1
869.2020	3.027e0
870.1210	1.806e1
870.6169	8.656e0
871.1125	4.923e0
871.6063	2.465e0
879.1218	3.997e0
879.6318	2.638e0
881.1325	4.289e0
882.1359	2.090e0
885.6503	4.980e1
886.1535	3.953e1
886.6536	1.471e1
887.1572	8.870e0
887.6582	2.552e0
890.1947	4.202e0
891.2182	2.397e0
893.1310	6.551e0
894.1548	3.472e0
894.6537	3.694e1
895.1590	3.190e1
895.6625	1.495e1
896.1754	7.657e0
899.1312	4.511e0
904.1365	2.447e0
908.1521	2.495e0
908.6353	2.003e0
912.1029	2.014e0
917.1477	1.259e1
918.1313	5.328e0
919.1196	4.571e0
919.6418	3.204e0
921.1367	2.892e1
922.1439	1.174e1
923.1480	2.720e0
925.6142	2.231e0
930.1428	1.431e1
931.1619	5.004e0
932.1775	2.367e0
934.6340	3.036e1
935.1418	1.939e1
935.6467	1.002e1
936.1416	3.011e0
939.1498	1.861e2
940.1510	7.419e1
941.1558	2.434e1
942.1703	4.676e0
948.1489	5.856e0
949.1718	2.785e0
970.1624	8.465e0
971.1555	2.142e0
974.6642	1.341e1
975.1489	1.014e1
975.6628	6.068e0
983.6586	1.277e1
984.1662	1.181e1
984.6754	5.697e0
985.1662	3.237e0
988.1370	5.659e0
989.1337	2.545e0
991.6656	2.748e0
997.1633	5.010e0
1001.1252	5.966e0
1002.1360	2.268e0
1003.6464	2.959e0
1004.1572	3.320e0
1009.1493	2.016e0
1010.1263	2.094e0
1019.1655	5.412e1
1020.1642	2.083e1
1021.1612	8.188e0
1022.1641	2.789e0
1028.1870	7.773e1
1029.1840	3.091e1
1030.1821	1.096e1
1031.1697	3.144e0
1037.1989	3.545e0
1038.1946	2.202e0
1044.1832	7.317e0
1045.2096	4.197e0
1050.1576	2.258e0
1059.1864	3.593e1
1059.6824	2.812e1
1060.1826	1.597e1
1060.6965	5.242e0
1061.1326	2.385e0
1068.1946	4.089e1
1069.1962	1.915e1
1070.1895	7.746e0
1077.1710	7.740e0
1078.1539	3.520e0
1081.1504	2.901e0
1099.1421	6.249e1
1100.1505	2.740e1
1101.1248	6.499e0
1102.1572	3.078e0
1108.1498	7.378e0
1109.1588	3.971e0
1117.1299	4.763e0
1118.1691	2.077e0
1130.2041	1.234e1
1131.2236	5.913e0
1148.2217	5.293e1
1149.2269	2.716e1
1150.2285	9.152e0
1151.2385	2.262e0
1167.1917	2.213e0
1179.2350	4.112e1
1180.2419	1.977e1
1181.2432	7.856e0
1182.2172	2.838e0
1197.2482	5.377e0
1198.2760	2.545e0
1210.1915	1.094e1
1211.1920	4.158e0
1216.1832	2.449e0
1228.1947	3.994e1
1229.2043	1.988e1
1230.2330	5.735e0
1231.1989	2.366e0
1234.2220	5.337e0
1235.2010	2.297e0
1246.1821	2.257e0
1259.1873	8.643e0
1260.1976	4.191e0
1261.2324	2.354e0
1308.2107	3.628e0
1326.2262	8.484e0
1327.2490	6.467e0
1328.2722	2.086e0
1332.2474	3.841e0
1333.2073	3.848e0
1357.2510	9.243e0
1358.2333	5.107e0
1359.2562	3.244e0
1366.2213	4.012e0
1367.2537	2.297e0
1412.2000	3.788e0
1413.1445	2.124e0
1413.2518	2.300e0
1468.2653	1.993e1
1469.2924	1.121e1
1470.2871	5.779e0
1471.3046	2.321e0
1477.2783	1.932e1
1478.2767	1.079e1
1479.2859	4.065e0