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: KNA00700

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00700
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: 151.006738,155.02911,158.892611,160.990606,163.024591,166.282013,168.96175,171.024012,175.801236,180.961608,184.363008,186.636466,189.453763,192.990127,196.956591,198.989019,201.007296,204.980622,208.956471,211.000652,213.910681,218.903614,221.609176,224.179922,227.981166,230.354471,234.964376,236.987436,240.845581,243.00821,246.037912,248.059033,250.313036,252.946406,255.50191,258.136296,262.966336,267.587203,270.231505,272.95609,275.016751,280.817202,284.007449,290.904435,293.990337,296.835525,298.870154,301.609428,306.048792,308.561681,310.779336,313.004245,315.020605,318.022935,321.643055,324.885669,327.056105,329.985526,332.956779,334.986219,337.980809,340.627011,342.958562,345.957571,347.983314,350.962891,353.962029,355.991322,360.884969,362.924532,364.940598,367.122311,378.896485,382.722292,385.108472,394.890259,401.589563,405.094197,408.010441,412.915411,415.91507,418.887598,420.914756,424.982015,427.023617,430.938164,435.606753,438.035359,443.045506,447.962924,450.938664,455.092036,461.001974,467.071655,473.042276,478.900331,480.972194,482.995353,485.999452,489.919616,492.075844,496.026067,500.961181,503.959392,506.943625,508.991975,511.124802,513.884563,516.03496,518.065189,522.94939,529.062135,531.130487,533.890895,535.992346,540.03342,542.05681,547.144766,550.943751,553.092717,558.063134,560.958613,566.12983,569.078139,572.05471,574.102324,576.953467,580.050182,582.06662,585.049551,591.060182,595.999402,601.025848,604.217623,606.234576,609.908841,619.977751,632.642498,643.143318,650.960767,653.989916,656.016878,659.017498,662.099904,664.912357,667.941671,672.943273,675.105451,677.971249,680.000239,684.532069,687.076916,692.109598,697.138654,702.14187,704.919989,708.056227,713.102088,717.076123,719.301531,725.84072,728.066256,730.175285,737.08289,741.057313,750.049255,752.254593,766.10567,768.237407,772.99033,775.012275,777.115831,784.095849,789.214707,800.009933,805.173437,808.121064,811.150374,819.019963,821.154164,825.017701,830.104693,838.133207,840.42545,848.119006,855.105545,863.102624,874.061506,877.008008,887.074458,890.061976,896.107808,899.0749,902.082346,905.980119,911.039906,914.065867,918.456958,924.173559,935.238268,938.217353,941.254341,951.202113,953.245058,957.171685,959.194613,966.169548,969.183744,982.993603,985.186613,989.153744,992.057756,1005.095735,1010.39027,1016.069331,1035.080882,1046.224432,1057.06176,1060.087528,1068.206856,1080.253242,1085.051933,1105.895946,1118.749923,1127.203392,1132.938008,1136.08576,1151.358461,1155.354587,1165.985321,1173.338949,1183.303765,1189.31736,1193.045639,1202.411887,1205.236951,1207.271143,1216.204523,1227.249379,1237.252292,1239.640183,1245.615323,1265.978062,1282.963258,1290.348687,1298.195651,1307.033463,1320.165785,1322.261693,1328.396489,1365.479131,1374.272649,1381.801482,1420.208017,1430.343419,1437.843788,1465.958479,1469.453543,
Replicated queried mass peaks: 101.022163, 101.02293, 101.024465, 101.025424, 101.025999, 101.027726, 101.042116, 102.027722, 102.295384, 102.5129, 103.02861, 104.195847, 105.037852, 105.812125, 107.417909, 108.242522, 108.620314, 109.815838, 109.986058, 110.345862, 112.539073, 112.956156, 114.930203, 114.951622, 115.616012, 117.710436, 117.909262, 118.041205, 127.91992, 128.078881, 131.135036, 131.206845, 131.867518, 134.040574, 134.04204, 134.043506, 134.044679, 134.047025, 134.048491, 134.04937, 134.050543, 134.05113, 134.052009, 135.043914, 135.05014, 136.972255, 138.979953, 139.891704, 143.887187, 143.947533, 143.951122, 144.862227, 144.922528, 144.966047, 144.983526, 144.992101, 144.992761, 144.994081, 144.99474, 144.997709, 144.998369, 145.001668, 145.003317, 145.004637, 145.005956, 145.008266, 145.011565, 145.013874, 145.016514, 145.019153, 145.021133, 145.022123, 145.022783, 145.024762, 145.025752, 145.027402, 145.030042, 145.033672, 145.035322, 145.044232, 145.105307, 145.157829, 145.425506, 145.890149, 146.013075, 146.014408, 146.017075, 146.020075, 146.112127, 147.017923, 148.899926, 148.952117, 151.016205, 151.399811, 152.966818, 152.995059, 156.894379, 158.924781, 159.60679, 159.893276, 160.418651, 160.892241, 160.992536, 161.002957, 161.214676, 161.893591, 162.10902, 162.680247, 162.892928, 162.969548, 164.894756, 166.995669, 166.997708, 166.998931, 169.628032, 169.981282, 170.97754, 171.15635, 171.97747, 172.026908, 172.974162, 177.738061, 182.169853, 184.989838, 187.103164, 188.037931, 188.522125, 190.981848, 194.995778, 198.090514, 199.01872, 200.984684, 202.929121, 205.944334, 206.884495, 206.940727, 208.992428, 211.890003, 220.6642, 224.951139, 224.960063, 225.780814, 226.086221, 228.979475, 231.935298, 234.971861, 244.011863, 246.972394, 250.941221, 251.218583, 251.403746, 253.557836, 256.807816, 257.081724, 259.021646, 264.961966, 268.011953, 269.078682, 271.057565, 271.96197, 272.96887, 275.90902, 275.999092, 280.859882, 280.863439, 280.977303, 284.025535, 284.992035, 290.961625, 290.967251, 291.034778, 291.039468, 292.038249, 294.950758, 296.919603, 298.929709, 300.001811, 300.833088, 302.737784, 302.925961, 306.075094, 306.874875, 309.026093, 309.045594, 309.985905, 310.048814, 312.265869, 313.0168, 313.02517, 313.258634, 314.004741, 314.02051, 314.639606, 314.894936, 314.986804, 314.993142, 315.995768, 316.0361, 316.880594, 316.940283, 316.99679, 317.030915, 322.421522, 323.000922, 328.043944, 328.569922, 328.982146, 328.990037, 329.047542, 330.060285, 331.027637, 331.110719, 332.991217, 333.95535, 333.994556, 334.731526, 334.951471, 334.998961, 335.040668, 335.950892, 336.002086, 336.885858, 336.909223, 339.952193, 343.94585, 343.956696, 344.538337, 344.954352, 346.04512, 346.054849, 346.064579, 346.07431, 346.913894, 347.05799, 348.952981, 349.037973, 350.966617, 351.001402, 351.232605, 351.966255, 352.948872, 352.9614, 353.965803, 354.959338, 366.118338, 366.936325, 368.134422, 369.011404, 369.137325, 379.898948, 382.982708, 383.032273, 383.036522, 383.080432, 383.091765, 383.094598, 383.100265, 383.113015, 383.120099, 383.124349, 383.137101, 383.144185, 383.148436, 383.243389, 384.095289, 384.116623, 384.123734, 384.128001, 384.152183, 385.115611, 385.119895, 385.311304, 386.112769, 396.905345, 402.00954, 406.100415, 406.160722, 408.202028, 409.013485, 414.913691, 416.913645, 417.915821, 418.913515, 426.021747, 427.076971, 431.870945, 437.032485, 439.026048, 445.039603, 448.004127, 457.077632, 467.174657, 469.070993, 478.977562, 479.975311, 481.079827, 481.970186, 481.978183, 482.008171, 482.084154, 483.00538, 484.001664, 485.005069, 486.023744, 489.938055, 490.976428, 501.067118, 502.954163, 504.903328, 504.920476, 504.939769, 504.956918, 504.993365, 505.942359, 508.850984, 509.993608, 510.991654, 512.13931, 513.950596, 514.058478, 514.137759, 514.15538, 514.953662, 515.42866, 517.061907, 517.441966, 518.892695, 523.125667, 523.231928, 523.951737, 524.321271, 524.954695, 529.115018, 529.119617, 529.135714, 529.154111, 529.904616, 529.927663, 529.946101, 529.964541, 529.982982, 530.068281, 530.137458, 530.947838, 531.947781, 531.961689, 532.135584, 534.121706, 534.366669, 534.999685, 535.128294, 536.639997, 537.121802, 540.038162, 540.052389, 540.064244, 540.071358, 541.056774, 543.705757, 547.955692, 548.960345, 551.102594, 551.11726, 552.106114, 552.12082, 553.10992, 553.117293, 554.096752, 555.088698, 558.898464, 559.065755, 562.034496, 566.552524, 567.001199, 567.082834, 568.086847, 569.126874, 569.938331, 570.993761, 571.055633, 572.077975, 573.051227, 573.097881, 574.055548, 575.046879, 575.072933, 575.951981, 581.059735, 582.045395, 583.054844, 584.056253, 602.436939, 604.313039, 605.035003, 611.142925, 620.018584, 643.334414, 644.566248, 651.962899, 654.015195, 654.992719, 655.011722, 655.179616, 657.014803, 659.705238, 659.971026, 660.955518, 660.97478, 663.002073, 663.082713, 663.105295, 675.934725, 675.967928, 675.994492, 676.971804, 678.996306, 681.003042, 686.074253, 688.07837, 697.949642, 698.116888, 699.114644, 718.074822, 719.071967, 720.07484, 721.024942, 721.06518, 721.094446, 729.073134, 730.078374, 737.132042, 750.239457, 751.055427, 751.242121, 752.063624, 753.261301, 766.7591, 767.204553, 767.232657, 768.269591, 769.228008, 769.244131, 770.232642, 790.216792, 791.191355, 801.015523, 808.164468, 809.124597, 809.150688, 810.130001, 820.145925, 821.986138, 822.15981, 826.016999, 826.129141, 826.156058, 832.082833, 875.518215, 878.9396, 889.059453, 891.046094, 891.066195, 892.077149, 898.072369, 915.069155, 916.058381, 936.24415, 937.213711, 954.252292, 957.22204, 958.218773, 967.17461, 968.181241, 984.836173, 986.824477, 993.026632, 1005.969235, 1012.273932, 1036.882633, 1047.228933, 1048.228469, 1061.092474, 1080.924348, 1082.066666, 1105.965432, 1106.966746, 1133.875188, 1152.355547, 1174.349523, 1174.478789, 1205.268572, 1205.869611, 1205.95664, 1206.281107, 1206.954199, 1209.135713, 1228.232815, 1238.231315, 1266.982865, 1299.194823, 1365.965443, 1366.013135, 1366.967491, 1382.141199, 1383.316616, 1431.325067, 1466.000898, 1466.998257,
Processing time: 0:00:01.122349

Results for the quried mass "123.62204"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O4	0.429	0	0	C1,C2,C3,C4,C5,O7,O8,O9,O10
C5O4	0.429	0	0	C1,C2,C3,C4,C5,O6,O8,O9,O10
C5O4	0.429	0	0	C1,C2,C3,C4,C5,O6,O7,O9,O10
C5O4	0.429	0	0	C1,C2,C3,C4,C5,O6,O7,O8,O10
C5O4	0.429	0	0	C1,C2,C3,C4,C5,O6,O7,O8,O9