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: KNA00700
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: 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
Queried mass list: ['101.020', '103.920', '107.036', '109.530', '111.694', '113.843', '116.431', '118.588', '123.622', '127.020', '130.866', '133.158', '135.926', '138.627', '142.946', '144.963', '147.012']

Queried mass	Num. matched formulas	Num. matched fragments
101.020436 (link to fragments)	1	2
103.920096	No match found!	No match found!
107.036116	No match found!	No match found!
109.530272	No match found!	No match found!
111.693518	No match found!	No match found!
113.842963	No match found!	No match found!
116.430595	No match found!	No match found!
118.587784	No match found!	No match found!
123.62204 (link to fragments)	1	5
127.020471 (link to fragments)	1	5
130.865923 (link to fragments)	1	5
133.158332	No match found!	No match found!
135.926128	No match found!	No match found!
138.626812 (link to fragments)	1	1
142.946173 (link to fragments)	1	1
144.962749 (link to fragments)	1	1
147.011861 (link to fragments)	1	1