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

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

Structure file (with ALATIS unique atom labels)

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
Queried mass list: ['100.280', '103.174', '105.218', '107.341', '109.656', '111.821', '113.955', '116.214', '118.998', '121.615', '123.946', '126.024', '128.964', '132.507', '136.358', '138.755', '140.900', '142.944', '144.984', '147.018']

Queried mass	Num. matched formulas	Num. matched fragments
100.279851 (link to fragments)	1	2
103.173984	No match found!	No match found!
105.218284	No match found!	No match found!
107.341177	No match found!	No match found!
109.655558	No match found!	No match found!
111.821418	No match found!	No match found!
113.955266	No match found!	No match found!
116.21419	No match found!	No match found!
118.997762	No match found!	No match found!
121.614537	No match found!	No match found!
123.946242 (link to fragments)	1	5
126.024293 (link to fragments)	1	5
128.964432 (link to fragments)	1	5
132.507253	No match found!	No match found!
136.357695	No match found!	No match found!
138.754566 (link to fragments)	1	1
140.899628 (link to fragments)	1	1
142.943589 (link to fragments)	1	1
144.983856 (link to fragments)	1	1
147.01826 (link to fragments)	1	1