Hypotaurine; LC-ESI-ITFT; MS; POS

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KNA00013

Outputs for Hypotaurine; LC-ESI-ITFT; MS; POS

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00013
Synonyms: Hypotaurine, 2-Aminoethanesulfinic acid
Total mass: 109.1472
Formula: H7 C2 S1 O2 N1

Experimental information

MS type: MS
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 112.044333,115.11154,125.976065,128.017199,131.500555,137.132002,143.048066,148.003496,155.142891,158.096003,163.132671,170.097123,172.152025,175.130548,179.0632,184.57727,187.074336,195.122625,199.074222,201.097074,214.120712,217.064812,220.111991,223.035552,225.097638,229.085044,233.059005,235.103938,238.067725,250.967191,253.031482,265.965354,273.017299,277.995764,282.191636,295.085624,304.954627,326.067751,340.083124,344.060028,356.078064,360.047857,362.078518,366.247317,376.019745,378.04556,388.027128,391.27266,395.013942,398.031039,403.009019,420.099254,426.35669,429.967913,449.10125,453.080591,465.098582,468.074008,471.070355,475.083717,479.112931,481.333231,485.056744,487.078854,494.344951,500.302595,502.325187,518.089328,523.047253,529.026919,531.580387,536.604547,539.577542,545.114616,547.574964,554.982689,576.095929,589.164189,592.108651,595.086209,598.11115,600.597224,603.082045,606.106223,608.599823,611.080309,618.079043,626.07955,646.115701,648.604589,652.619975,655.596582,660.615871,663.105228,665.592464,670.13045,672.591454,680.589286,688.583844,701.110578,715.125969,718.104465,720.604437,723.628292,726.109143,728.602774,731.120474,733.613714,736.097095,740.09301,743.095077,751.09456,754.097384,764.147482,773.074567,778.634138,781.609764,785.632988,788.117848,790.606117,793.629586,796.118567,798.602223,805.604801,828.123133,836.120926,840.140341,844.11932,850.126953,852.613808,856.137435,859.12142,861.609657,864.103922,868.109602,876.107006,898.627689,904.636328,907.128913,912.634411,915.123545,920.6335,923.118368,928.62596,931.626486,941.582966,953.137846,960.640902,965.155888,969.132663,975.138317,977.639357,980.132644,983.136034,985.632856,988.127468,993.11563,996.125491,1001.120565,1016.608761,1021.462841,1023.636874,1031.638793,1037.648301,1040.114968,1042.13912,1045.655714,1048.138186,1055.625921,1058.475659,1068.485074,1078.155532,1086.657621,1089.484574,1092.165752,1094.651585,1100.151758,1102.644174,1105.478238,1108.155995,1110.479937,1113.140823,1125.162684,1131.491167,1140.167657,1147.144212,1149.658201,1152.816022,1156.655303,1162.659927,1165.157507,1170.66092,1173.153979,1177.492152,1183.160158,1203.166186,1211.175555,1219.160634,1224.832892,1227.168098,1230.487756,1235.156314,1244.150641,1250.157019,1260.17743,1263.17398,1272.502363,1281.683083,1284.669735,1289.676571,1293.156629,1297.665601,1303.512826,1309.838303,1315.1733,1319.499202,1336.187315,1338.524472,1344.184792,1353.175227,1356.179512,1358.512592,1361.174152,1407.694001,1412.81568,1423.528677,1433.512712,1469.876679,1486.850975,1492.694274,
Replicated queried mass peaks: 104.07046, 104.071863, 106.048406, 106.049643, 106.051294, 109.914106, 109.96658, 109.989454, 110.006887, 110.017131, 110.021054, 110.021708, 110.023452, 110.024324, 110.025632, 110.02694, 110.029556, 110.030646, 110.031736, 110.03239, 110.033698, 110.037186, 110.046998, 110.064662, 110.087131, 110.139729, 111.026001, 111.0302, 111.707055, 111.934422, 111.98835, 112.011634, 112.022607, 112.023502, 112.029773, 112.031789, 112.032461, 112.034925, 112.038285, 112.039405, 112.040077, 112.041645, 112.043661, 112.045005, 112.046797, 112.047693, 112.048814, 112.050382, 112.051502, 112.053966, 112.055311, 112.055983, 112.056879, 112.057327, 112.057775, 112.058672, 112.059568, 112.060016, 112.060912, 112.062257, 112.063153, 112.063601, 112.064945, 112.065394, 112.070996, 112.088926, 112.112241, 112.166298, 112.395294, 113.046992, 113.047901, 113.051987, 113.053577, 113.055393, 125.997433, 126.014799, 126.015601, 126.017739, 126.018807, 126.020143, 126.021747, 126.02335, 126.02629, 126.046334, 127.020625, 127.024952, 129.126648, 149.022904, 171.078942, 171.148702, 173.494795, 174.12715, 174.12932, 185.058496, 185.13936, 187.125577, 199.179842, 200.149722, 201.053451, 215.014772, 215.060039, 215.065996, 215.06957, 215.072549, 215.113663, 215.4878, 216.066136, 216.072135, 219.046304, 219.049365, 221.042015, 221.069951, 223.063237, 223.076453, 223.084005, 223.089669, 223.093445, 223.097222, 223.102257, 223.104146, 223.151361, 224.089963, 224.096299, 224.099468, 224.127351, 231.064517, 231.069161, 233.173966, 234.979383, 235.031099, 235.033821, 235.037224, 235.041308, 235.050837, 235.052879, 236.040244, 236.044354, 237.036602, 237.054525, 237.064866, 237.068313, 237.070382, 239.060204, 251.027279, 251.031787, 251.036294, 251.040802, 251.046812, 251.049066, 251.105426, 252.035461, 252.03924, 252.043019, 252.179875, 253.039845, 274.993717, 279.157671, 282.221186, 340.502862, 341.087518, 342.078442, 360.0556, 360.062053, 360.065924, 361.057807, 362.051191, 376.040405, 376.050047, 377.053429, 380.033209, 391.282894, 392.286254, 393.077002, 420.603887, 451.081624, 465.106161, 465.51567, 466.100535, 467.092382, 468.083572, 469.074083, 469.083678, 470.077366, 471.099324, 475.379199, 475.582869, 476.080847, 480.329506, 481.09197, 483.079286, 485.070869, 485.080958, 485.569678, 486.065209, 486.073306, 487.064641, 487.093068, 488.069195, 488.095673, 489.060517, 489.087075, 501.032623, 501.0644, 501.074993, 501.303881, 502.059475, 502.067974, 502.333693, 503.059648, 503.328288, 537.58967, 538.089144, 538.586952, 540.08216, 545.5861, 548.08115, 548.573477, 549.569856, 555.570908, 578.093913, 590.113445, 590.533363, 591.100284, 593.089588, 594.089376, 595.094435, 596.085554, 596.113044, 600.097104, 601.100752, 601.59934, 602.084595, 602.587202, 604.081976, 605.084396, 607.113688, 607.619777, 608.095341, 608.106671, 609.093574, 610.065805, 610.085728, 610.09996, 610.58414, 611.088869, 611.579939, 612.080183, 612.091624, 612.105927, 613.079646, 619.078694, 627.08385, 628.07273, 656.596488, 657.098891, 657.595499, 662.605588, 663.602204, 664.594599, 665.093251, 666.592579, 670.602544, 671.101406, 671.127678, 671.600826, 673.092539, 673.587579, 674.089776, 674.589227, 681.586432, 703.106537, 716.131218, 719.105076, 719.611635, 720.104129, 721.097951, 724.633105, 725.112323, 725.610476, 727.100613, 727.600816, 728.097826, 729.097091, 732.125971, 732.635116, 733.107298, 733.122295, 734.109384, 735.072116, 735.079645, 735.098467, 735.11729, 735.599411, 736.115957, 736.59906, 737.093979, 737.116659, 738.089103, 743.592729, 744.094714, 752.0987, 753.085337, 773.61077, 779.620011, 780.607757, 782.109426, 782.605431, 782.626108, 787.620769, 788.619581, 789.121793, 789.578385, 789.607721, 790.106683, 790.622913, 795.618139, 796.61522, 797.605666, 798.10797, 799.101202, 799.600649, 800.100565, 806.106035, 806.603411, 829.118821, 837.121927, 841.15318, 844.619838, 845.120802, 846.114769, 850.628139, 851.125078, 852.115565, 853.112488, 853.616317, 857.64883, 858.123445, 860.078257, 860.111608, 860.616882, 861.113055, 862.006292, 862.106689, 862.130596, 863.111623, 869.105695, 877.111993, 878.103965, 906.623385, 907.619369, 908.120562, 913.139764, 913.629888, 914.621769, 915.6205, 916.626109, 917.113797, 921.631527, 922.128504, 922.594124, 922.620591, 923.621851, 924.115133, 924.614121, 925.113513, 930.617547, 961.648375, 962.132976, 962.634867, 967.146891, 969.634339, 970.136405, 970.633148, 971.130274, 975.644664, 976.157166, 977.125688, 977.148765, 978.130319, 978.627433, 979.124927, 981.153528, 984.132457, 984.476603, 984.63999, 985.130395, 986.129853, 987.124973, 989.131491, 1002.120492, 1003.127919, 1022.456354, 1024.633562, 1032.139677, 1032.640925, 1038.652882, 1039.639926, 1040.140313, 1040.63472, 1041.630941, 1046.646364, 1047.632018, 1048.631893, 1049.138786, 1049.6332, 1050.134392, 1056.131411, 1093.154972, 1094.145537, 1095.151139, 1095.644185, 1096.144419, 1100.813736, 1101.165654, 1102.146396, 1103.149209, 1109.146092, 1110.144503, 1110.640719, 1111.144263, 1111.634148, 1112.138368, 1126.139974, 1156.83365, 1157.659039, 1158.157674, 1158.649183, 1164.654345, 1165.653479, 1166.149767, 1166.653899, 1171.660219, 1172.160349, 1172.645629, 1173.647471, 1174.148874, 1174.642993, 1177.835664, 1178.828876, 1183.490772, 1184.498848, 1203.836511, 1219.506453, 1220.15828, 1220.657562, 1221.165212, 1228.159332, 1228.655399, 1229.159906, 1230.658985, 1235.664831, 1236.034113, 1236.157244, 1236.658165, 1237.151171, 1250.850289, 1272.836816, 1282.168572, 1282.663014, 1290.674443, 1291.673474, 1297.709751, 1298.663922, 1299.176782, 1299.50411, 1310.160711, 1337.184245, 1360.169229, 1362.170693, 1409.181613,
Processing time: 0:00:00.417384

Results for the quried mass "104.069056"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2S1O2N1	0.039	2	0	C1,C2,N3,O4,O5,S6