2-Oxoglutaric acid; LC-ESI-ITFT; MS; NEG

Computational Annotation of MS Peaks (CAMP)

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Processed databases
Atom-Mass pairs

Submission id: KNA00530

Outputs for 2-Oxoglutaric acid; LC-ESI-ITFT; MS; NEG

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00530
Synonyms: 2-Oxoglutarate, Oxoglutaric acid, 2-Ketoglutaric acid, alpha-Ketoglutaric acid, 2-Oxoglutaric acid
Total mass: 146.0979
Formula: H6 C5 O5

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: 149.466916,152.966818,155.951123,158.89299,160.990992,163.024591,166.915378,168.96175,171.005844,174.970102,177.986338,180.961608,183.885787,186.981857,189.020956,191.978028,194.57359,196.956591,198.989549,201.988099,204.945696,206.97729,209.552954,214.214231,216.437275,218.959307,222.904393,224.925006,227.972061,231.00847,233.055142,235.971969,241.01091,243.263918,246.766469,248.938266,250.966759,252.982892,255.980202,260.969271,264.962781,266.997708,269.078682,271.96197,275.020197,278.962059,282.563441,284.904793,286.964688,289.017296,291.034778,294.951715,296.972775,300.42538,302.980754,305.031691,307.285609,309.938478,313.004245,315.996829,318.882942,320.956467,322.998728,325.183485,328.057415,331.083401,333.95535,336.709525,339.000905,341.95043,344.944669,347.598537,350.513644,352.962652,356.925872,358.987168,362.924532,366.118338,368.134422,370.946159,374.077121,376.949053,381.166768,386.873603,395.344319,398.87418,402.914113,405.083414,407.396091,412.915411,415.91507,418.894077,420.916387,423.004327,428.979229,431.070026,436.782305,446.965058,452.842487,454.901337,456.929969,461.001974,464.91268,468.97312,471.090922,474.080028,478.977562,481.976183,490.955875,497.985446,500.222678,502.954163,511.343191,514.15538,518.584658,522.89291,528.825405,530.880813,534.121706,536.13773,541.218497,543.334687,547.217313,551.014611,559.193146,562.016875,564.915314,567.064974,572.346924,574.398711,577.162984,591.630717,607.033448,620.228648,624.243172,631.201919,633.262259,639.721161,642.444387,664.058013,673.227003,680.915753,686.893214,696.683312,699.24388,701.355148,704.093296,719.378076,737.287092,763.277129,771.000555,773.258382,785.915902,800.095441,804.172935,811.434152,816.563337,829.797517,833.785964,837.68871,857.861688,864.796212,890.699458,905.980119,912.001789,918.477993,925.613709,928.114038,975.23159,1005.969235,1015.873549,1065.225103,1072.945335,1093.883982,1096.774194,1104.64633,1106.966746,1134.40196,1150.031025,1154.887302,1165.985321,1185.213276,1197.574079,1205.95664,1225.975109,1232.358203,1234.461473,1255.936578,1261.005776,1265.450594,1267.980333,1275.477521,1283.823213,1288.843779,1306.01632,1315.916737,1327.025458,1330.85136,1332.926805,1342.586857,1353.988663,1358.584411,1363.726752,1365.965443,1373.24333,1379.068897,1401.585224,1408.930183,1427.210957,1438.36927,1465.947875,1482.955151,1485.450622,1492.669827,
Replicated queried mass peaks: 101.021012, 101.02293, 101.024465, 101.026191, 101.027534, 102.027917, 103.590438, 103.920296, 105.517444, 105.935822, 106.980068, 108.938837, 108.95452, 112.289347, 112.956156, 112.985648, 113.162839, 114.951622, 115.003565, 115.956621, 116.94809, 116.98394, 119.184863, 120.000507, 120.668131, 122.819905, 122.956571, 124.757875, 125.024205, 126.90479, 127.020741, 127.68435, 127.91992, 128.035075, 130.424398, 132.57529, 133.009241, 133.011849, 133.014168, 133.015907, 133.016776, 133.018805, 133.087816, 133.62433, 134.017415, 136.972255, 137.047699, 139.006887, 139.891704, 139.970825, 140.966957, 141.890061, 142.890974, 142.898073, 142.946173, 143.034687, 143.045999, 143.889796, 143.898601, 143.951448, 144.89089, 144.892867, 144.89748, 144.959122, 145.002987, 145.005956, 145.008595, 145.011235, 145.014204, 145.017173, 145.019483, 145.022453, 145.044562, 145.890482, 145.898806, 146.017408, 146.019742, 146.898099, 147.892403, 148.900269, 149.953506, 150.77037, 150.834397, 150.951361, 151.006738, 151.016205, 152.995417, 153.0555, 153.066591, 154.947088, 156.50599, 156.894379, 156.959375, 158.938408, 159.010361, 159.029683, 159.893658, 160.532337, 160.892241, 161.893591, 161.950815, 161.961719, 162.892928, 162.969548, 164.895156, 166.995669, 167.999076, 168.238353, 168.982084, 169.981282, 170.013526, 170.772024, 170.912934, 170.97754, 171.010069, 171.024012, 171.945943, 171.97747, 172.913575, 172.953533, 172.974162, 176.906951, 178.982405, 179.882886, 179.927564, 182.398153, 184.46994, 184.654215, 184.953715, 185.840327, 186.997799, 187.019059, 187.042255, 190.982347, 194.940744, 194.977259, 194.996292, 199.01872, 199.037287, 199.743162, 199.940646, 199.987659, 200.4276, 200.80339, 200.933553, 200.971226, 200.985222, 202.924751, 204.980622, 205.944334, 206.081763, 206.940727, 207.723598, 207.940403, 207.944369, 208.956471, 208.992998, 210.088121, 210.90456, 211.041772, 215.05546, 216.943496, 216.979722, 217.400615, 217.950945, 218.97706, 219.70618, 219.873013, 224.951139, 228.979475, 231.017757, 231.031026, 231.935965, 232.977188, 233.06657, 233.938884, 233.975393, 234.433834, 234.971861, 235.975393, 235.991146, 236.428738, 236.970205, 236.972273, 236.987436, 242.958834, 243.00821, 243.012505, 246.913741, 246.935733, 246.97166, 247.76257, 247.937286, 248.07232, 248.692825, 249.742376, 250.941972, 252.946406, 256.961057, 261.040971, 261.838827, 262.054291, 262.967142, 264.971744, 264.982338, 265.147034, 265.949053, 266.961444, 267.895937, 270.892388, 271.058408, 272.08827, 272.893052, 272.933087, 272.96461, 272.969722, 280.928369, 280.977303, 284.970221, 284.992035, 286.024698, 286.904082, 287.02072, 287.420771, 287.903782, 288.903149, 289.195612, 289.965559, 290.182106, 290.903498, 290.961625, 290.981317, 292.905751, 296.900272, 296.909937, 297.045305, 297.837123, 301.016531, 301.067846, 302.993707, 303.080417, 303.968581, 306.035643, 306.076106, 308.072774, 308.97273, 308.992226, 309.045594, 310.689302, 310.791757, 310.951233, 311.16786, 313.0168, 313.305777, 314.02051, 314.984692, 314.993142, 316.035038, 316.981862, 317.030915, 320.991233, 321.956068, 322.951574, 323.951704, 323.955009, 324.061892, 325.952611, 328.916769, 328.982146, 328.992292, 329.985526, 331.946682, 331.956966, 332.954483, 332.991217, 333.994556, 334.046457, 334.941048, 334.951471, 334.986219, 334.998961, 335.041827, 335.955546, 336.954793, 336.967648, 338.18634, 339.00916, 339.952193, 342.958562, 343.340466, 343.947055, 343.957902, 344.954352, 344.965246, 345.561584, 345.949061, 345.957571, 346.054849, 346.955404, 350.962891, 350.96786, 350.972829, 351.001402, 351.966255, 353.010265, 353.929319, 353.965803, 354.936596, 354.959338, 356.98066, 357.930625, 359.924517, 359.994192, 360.92383, 366.924373, 366.936325, 367.122311, 369.012743, 369.938568, 372.905694, 372.949234, 374.942515, 374.948001, 375.072857, 387.073515, 388.076847, 398.969016, 399.881469, 403.915282, 404.914029, 405.91494, 406.88235, 406.913364, 408.91817, 408.988481, 413.080325, 413.919106, 414.294843, 414.913691, 416.548797, 416.913645, 416.920079, 416.979594, 417.915821, 418.905416, 418.915135, 419.918038, 421.244517, 421.919939, 422.514933, 424.972084, 424.983671, 430.938164, 432.919056, 432.929267, 446.988267, 447.964716, 448.303463, 452.922605, 455.343428, 462.005967, 462.939842, 476.053928, 479.975311, 480.331126, 480.609694, 480.958244, 480.972194, 480.986144, 480.992123, 482.969283, 482.979309, 490.976428, 500.961181, 501.958313, 501.966812, 503.959392, 504.952631, 511.94886, 512.141499, 512.349585, 514.929378, 515.156837, 518.966397, 524.900162, 528.921917, 528.951794, 531.887519, 534.938904, 542.335886, 542.897074, 543.88784, 544.338649, 544.89574, 545.215492, 552.903536, 563.007458, 566.87878, 569.024282, 573.344206, 573.858108, 573.863303, 574.349297, 641.230899, 705.316186, 787.149482, 837.830727, 1006.976678, 1007.949359, 1066.000603, 1067.218136, 1105.909843, 1105.965432, 1150.812459, 1151.041143, 1166.986407, 1167.988784, 1186.864716, 1198.302589, 1206.962121, 1265.978062, 1266.020614, 1266.982865, 1267.016947, 1285.110415, 1327.509646, 1330.888052, 1355.939238, 1366.013135, 1466.000898,
Processing time: 0:00:01.078428

Results for the quried mass "123.946242"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O4	0.105	0	0	C1,C2,C3,C4,C5,O7,O8,O9,O10
C5O4	0.105	0	0	C1,C2,C3,C4,C5,O6,O8,O9,O10
C5O4	0.105	0	0	C1,C2,C3,C4,C5,O6,O7,O9,O10
C5O4	0.105	0	0	C1,C2,C3,C4,C5,O6,O7,O8,O10
C5O4	0.105	0	0	C1,C2,C3,C4,C5,O6,O7,O8,O9