Succinic acid; LC-ESI-ITFT; MS; NEG

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KNA00523

Outputs for Succinic acid; LC-ESI-ITFT; MS; NEG

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00523
Synonyms: Succinate, Succinic acid, Butanedionic acid, Ethylenesuccinic acid
Total mass: 118.0878
Formula: H6 C4 O4

Experimental information

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

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 122.616999,126.90479,128.964156,131.840629,134.866194,136.985279,139.006887,141.467585,143.861104,146.343977,148.863545,150.951361,152.967175,158.990664,161.961719,165.00082,170.943754,172.976311,178.71218,180.972187,184.471834,186.811454,188.948802,190.9998,193.535291,196.936748,198.969398,200.985222,204.970088,208.267099,214.924435,216.942288,221.923644,223.948634,226.977741,228.995842,231.013777,237.65883,240.875243,244.145144,246.847049,248.87001,250.963754,252.993536,255.011108,257.027218,260.006584,262.639543,264.933449,267.89428,270.976643,274.976257,276.993674,280.981752,284.930235,286.949076,290.887562,292.938902,294.9565,297.238849,300.558237,302.921976,305.087057,308.911174,310.946053,313.895439,316.135901,318.870032,320.888037,322.907718,325.183485,327.986702,330.913878,334.4205,342.764253,345.760707,353.356373,367.134272,369.61749,376.703054,378.917388,384.841607,394.327483,396.908333,398.926862,402.897305,406.371127,412.146064,418.892457,425.842383,439.875396,446.920428,460.878575,472.122256,478.069803,486.230295,503.745716,510.956738,513.508417,520.910627,527.197895,541.218497,544.218698,547.217313,550.223709,555.630207,561.777813,563.838741,573.723077,579.804799,588.872661,592.471721,599.081905,605.254377,617.859965,622.044886,626.601275,633.259249,642.201414,651.290367,659.318052,663.515197,672.231441,677.015068,683.37631,688.276194,696.277009,715.540388,718.594971,727.672989,753.292549,776.530879,783.262735,812.645159,820.19474,826.205411,832.67266,839.680245,853.765443,884.802655,905.980119,911.154212,913.679623,924.874614,928.71263,932.251837,972.252158,989.341852,992.618822,997.779221,1005.969235,1010.39027,1023.866796,1029.148344,1039.391474,1045.642867,1059.637722,1061.660835,1065.225103,1079.562655,1083.183854,1085.619381,1092.832104,1105.902895,1122.172416,1133.500177,1142.749103,1149.243026,1155.9558,1163.791959,1165.985321,1168.690461,1182.97315,1194.08958,1203.649587,1205.95664,1209.453517,1215.091441,1233.969956,1235.995254,1244.917936,1250.137601,1252.562909,1255.944988,1265.978062,1274.634535,1278.123727,1282.97194,1288.922459,1296.791688,1305.953902,1308.427271,1310.522166,1333.966349,1338.007245,1350.559482,1355.948671,1358.130403,1365.974981,1371.811904,1381.568606,1383.958384,1400.990598,1404.5342,1420.703625,1428.321955,1433.958002,1461.21926,1465.958479,1482.955151,1493.301966,
Replicated queried mass peaks: 100.434655, 100.909075, 103.267502, 103.920296, 103.976361, 106.175806, 107.776589, 108.036224, 112.956156, 112.979975, 112.98179, 112.983606, 112.985648, 112.986782, 112.987463, 112.989278, 112.99132, 112.998582, 113.538813, 113.867752, 113.988828, 114.081546, 114.721448, 114.991217, 115.001468, 115.003565, 115.00473, 115.005429, 115.052512, 116.370092, 116.947135, 117.017175, 117.019328, 117.020523, 117.02148, 118.942844, 120.913177, 120.938551, 123.134243, 124.487934, 126.948557, 127.571029, 127.842872, 129.694403, 130.145687, 130.369822, 130.498159, 130.722923, 133.014168, 133.163848, 135.067636, 136.189686, 139.001004, 139.260519, 139.891704, 140.004308, 141.752214, 143.034687, 144.703912, 145.013874, 145.191207, 146.550567, 146.625677, 146.954964, 146.958329, 146.959676, 146.965398, 147.096763, 147.546418, 148.063129, 148.952117, 150.218561, 151.403683, 152.135609, 152.946803, 152.963958, 152.977899, 153.97257, 154.398308, 154.766504, 154.962394, 154.970048, 154.973328, 159.839811, 159.893276, 160.52542, 160.693086, 160.892241, 163.462779, 172.940642, 172.953963, 174.551079, 174.918078, 174.971851, 178.946219, 180.994267, 185.03025, 185.874794, 188.029162, 188.57642, 190.54976, 190.944455, 192.371122, 192.438688, 192.667367, 196.953458, 196.956069, 196.961813, 197.957315, 197.962578, 198.944478, 198.951901, 198.992201, 199.955603, 199.980713, 200.720626, 201.007296, 201.022372, 201.996235, 206.916544, 208.911965, 215.05546, 217.920553, 217.929062, 223.984096, 224.937116, 227.057875, 227.428072, 228.812636, 230.430451, 230.603033, 231.009133, 231.934631, 238.857393, 240.940943, 241.598, 241.950999, 242.872284, 244.6837, 244.858788, 246.852178, 248.947171, 248.953107, 248.959787, 248.963498, 248.965724, 248.972404, 249.963238, 250.971266, 250.973519, 250.978026, 250.981782, 250.984036, 251.981625, 252.995816, 253.999317, 255.165054, 255.450992, 255.928368, 256.892587, 256.944715, 257.893562, 258.892528, 259.003532, 260.416583, 260.892824, 261.445433, 263.90016, 265.87696, 268.547433, 268.920308, 268.957805, 268.961139, 269.06534, 272.991877, 274.980564, 275.985232, 276.603888, 276.9989, 278.41972, 278.819508, 284.933869, 285.933329, 285.960735, 287.076769, 287.956396, 288.960678, 290.94756, 292.961638, 293.864665, 294.973728, 294.981386, 298.907252, 300.903092, 300.990878, 305.242161, 310.791757, 311.155416, 311.644407, 312.891282, 314.922387, 316.873134, 316.968002, 318.891549, 318.953959, 318.964722, 320.399892, 320.909758, 321.846952, 321.917871, 342.951363, 345.911378, 354.026204, 355.071815, 384.934336, 394.888777, 441.294131, 472.935384, 503.891001, 511.891964, 512.467922, 515.479513, 521.828281, 542.221367, 543.215068, 545.215492, 546.217439, 548.219935, 549.218019, 550.951081, 556.49232, 563.318026, 581.279437, 589.040085, 589.318383, 590.520294, 592.853349, 618.269293, 659.398021, 673.227003, 813.683444, 913.888373, 929.119147, 929.145901, 999.215828, 1006.976678, 1060.642029, 1066.586075, 1086.627022, 1105.965432, 1106.966746, 1123.060713, 1166.632492, 1195.119281, 1234.977882, 1257.957211, 1266.982865, 1283.970969, 1334.970248, 1359.985702, 1366.97704, 1382.966749, 1384.464335, 1401.406796, 1434.963914, 1435.970885, 1466.966411,
Processing time: 0:00:00.375514

Results for the quried mass "119.047808"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O4	0.048	7	1	C1,C2,C3,C4,O5,O6,O7,O8