L-Histidine; LC-ESI-ITFT; MS; NEG

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: KNA00499

Outputs for L-Histidine; LC-ESI-ITFT; MS; NEG

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00499
Synonyms: L-Histidine, (S)-alpha-Amino-1H-imidazole-4-propionic acid
Total mass: 155.1542
Formula: H9 C6 O2 N3

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: 158.423961,160.967365,162.998943,165.508851,171.543586,174.101352,177.047428,180.035599,183.432394,185.788085,187.994014,190.377851,194.040296,198.025659,201.904518,204.952816,206.972139,208.988913,212.020501,214.088613,217.069022,219.680855,221.750001,224.02516,231.062757,235.925285,238.014204,240.928098,243.03886,246.03778,248.737154,250.963617,253.986176,256.95391,260.004853,263.05322,266.075136,269.018497,271.508204,273.90669,276.880326,280.007964,282.4942,285.118271,287.538495,290.020457,292.040928,295.107623,299.049699,301.98965,306.001102,309.060838,311.082685,315.201159,317.950992,320.013255,322.149169,325.052623,327.249339,331.008118,333.079454,336.00307,341.191704,344.131334,347.087128,350.04157,352.130809,356.044449,359.026833,362.042942,367.0371,369.178697,372.119036,375.043865,377.066433,379.094251,382.010158,384.912751,386.938122,389.070849,393.040409,395.98053,398.137523,400.909064,403.990246,408.0227,410.111028,414.463573,417.046968,419.146679,422.0868,425.996628,428.015439,430.031787,433.038005,437.054723,440.112337,443.064685,446.057519,448.786054,451.010834,453.927503,457.058958,461.027939,463.966944,467.050448,470.037696,473.043976,475.283393,477.834625,480.1062,483.063285,486.11459,488.137714,491.058388,493.999131,498.014582,502.104695,505.008118,507.178506,509.973772,512.055857,515.046146,520.910369,524.019459,526.110716,528.209929,531.151034,534.11211,536.884075,539.04107,543.18131,546.248521,548.367623,551.048549,553.131764,556.122674,559.047995,561.986389,564.93279,568.232406,570.272379,573.032801,576.100576,579.040339,582.031842,584.974409,588.896669,592.073838,594.098632,596.197083,599.13979,603.062902,607.030323,609.96546,612.074222,614.237078,617.175456,620.117463,623.109943,626.047183,629.975008,633.153576,635.175095,638.079381,640.164335,642.204176,645.091849,648.03021,650.098397,652.195382,654.220323,656.884052,660.114874,663.182406,665.995272,668.110973,671.050521,674.810271,677.95758,681.123601,683.230873,686.168995,688.251982,691.095568,695.021815,697.963241,701.267089,704.205923,706.247517,709.00726,712.073908,714.940134,717.003228,719.943091,723.301501,726.221062,729.176936,732.177094,735.112956,738.074088,740.306695,747.142796,749.470975,753.128161,756.092856,759.082995,762.02334,764.297706,766.778795,769.25586,771.299584,774.054872,777.12365,780.066626,782.128816,784.992249,787.015612,789.557932,792.289522,795.234407,798.059421,800.163483,804.086395,807.028051,810.330056,815.127697,817.988748,820.04349,822.195059,824.972548,827.071652,830.999706,833.940252,837.093157,839.137676,842.043078,844.166007,847.139509,849.908689,852.07085,855.923027,859.277674,864.07555,867.145311,872.072575,875.013908,877.282456,880.358769,883.302479,886.186211,889.124159,892.061639,896.994966,900.354258,905.330898,908.173296,910.214007,912.99084,916.089395,918.472317,920.959588,924.380187,927.264824,932.063222,935.129782,940.060225,943.002215,948.348163,951.290371,954.16833,957.120903,962.046093,965.193944,968.345885,975.116086,978.201179,981.138341,984.077087,995.252879,997.487066,1000.051353,1003.123565,1005.974817,1011.987558,1016.338175,1019.092317,1022.172485,1025.161207,1027.658722,1030.027957,1037.109304,1040.170163,1044.193802,1049.126249,1052.008384,1060.354475,1063.237183,1071.107954,1087.262965,1090.147361,1093.138841,1105.971903,1112.133424,1136.316818,1139.093615,1151.823116,1155.257649,1158.13399,1161.073407,1163.776464,1165.984826,1174.166571,1184.057278,1205.956135,1214.355057,1218.041137,1223.22991,1244.071381,1248.118594,1258.336103,1265.986051,1274.264393,1305.953371,1333.965811,1339.32997,1347.918458,1365.974436,1372.137794,1388.540944,1405.787539,1414.461225,1422.46508,1433.9677,1436.844576,1460.427543,1465.968516,1474.424857,1477.091858,1486.803041,
Replicated queried mass peaks: 102.957076, 102.972867, 108.056754, 108.501442, 109.040681, 110.070173, 110.071482, 110.072573, 111.195571, 112.979921, 112.981736, 112.983778, 112.984686, 112.98582, 112.987182, 112.987863, 112.989905, 112.99172, 113.006698, 113.315548, 113.630471, 113.989004, 114.071824, 114.951567, 124.175663, 124.607361, 131.077966, 131.080234, 131.082786, 131.084204, 131.085338, 131.08789, 131.089591, 131.108876, 131.276661, 132.086016, 135.069943, 136.051599, 137.035508, 137.941628, 138.33487, 140.553246, 141.853593, 146.126733, 146.938395, 151.476484, 153.989813, 154.02556, 154.028811, 154.034228, 154.040008, 154.042897, 154.046509, 154.049761, 154.051205, 154.05265, 154.05554, 154.056986, 154.058792, 154.062043, 154.065295, 154.068547, 154.071437, 154.073605, 154.074689, 154.080832, 154.085168, 154.085891, 154.08842, 154.090589, 154.095287, 154.097816, 154.10396, 154.162167, 154.661709, 155.05638, 155.058933, 155.062581, 155.063311, 155.0655, 155.067689, 155.068418, 155.212991, 155.800655, 156.068846, 156.077687, 156.770355, 156.850861, 157.00834, 157.011686, 162.982824, 163.295009, 163.991486, 173.0648, 173.090182, 173.093624, 173.096636, 173.098787, 173.100938, 173.104381, 173.108253, 173.112126, 173.115569, 173.144405, 174.107428, 175.246259, 176.036113, 176.040525, 176.044056, 176.046704, 176.048027, 176.051999, 176.055971, 178.04863, 178.977346, 180.060703, 180.964746, 180.969346, 180.973025, 180.975785, 180.977165, 180.981305, 181.274677, 181.976216, 184.530464, 185.96236, 186.448655, 186.929134, 189.594172, 190.927925, 192.01866, 195.085756, 196.030748, 198.935915, 203.466428, 204.956697, 207.22496, 209.445732, 209.50072, 209.996585, 210.999402, 213.085462, 214.017612, 215.989089, 217.990974, 219.741769, 221.087686, 221.876077, 221.991637, 221.999761, 222.01601, 222.026636, 222.028511, 222.032886, 222.037887, 222.041637, 222.049139, 222.05289, 222.054765, 222.060392, 222.065393, 222.069144, 222.07102, 222.081649, 222.098533, 222.106663, 222.221777, 223.041419, 223.046453, 223.052747, 223.055894, 223.057782, 224.053037, 224.998845, 225.028179, 231.651817, 232.384957, 233.059056, 238.023223, 238.931215, 239.039405, 241.026336, 241.073003, 241.07866, 241.082196, 241.085025, 241.09139, 241.095634, 241.097755, 241.104121, 241.10978, 241.157178, 242.036219, 242.088872, 242.094565, 242.098835, 242.10097, 243.067496, 243.095421, 244.012453, 244.018215, 244.024696, 244.031178, 244.0355, 244.03766, 244.044143, 244.049905, 245.027412, 245.034659, 246.071323, 248.891388, 248.935163, 248.941099, 248.946294, 248.950004, 248.952973, 248.955941, 248.960394, 248.964847, 248.966332, 248.973011, 248.978949, 249.963102, 252.059343, 254.916359, 258.082094, 260.685801, 261.994042, 264.484146, 264.934113, 266.079236, 267.079176, 268.015117, 268.051595, 270.030876, 271.033805, 272.033855, 273.02837, 274.011208, 277.462699, 278.744601, 281.072384, 286.12236, 287.05732, 288.0569, 289.072852, 290.028855, 290.037254, 290.042853, 290.045653, 290.054052, 291.040257, 292.98612, 293.053404, 295.993659, 302.318102, 306.010204, 306.918399, 306.93567, 307.026109, 308.0001, 309.071103, 309.079316, 309.088556, 309.13168, 310.075479, 310.0827, 311.923002, 311.991707, 311.998995, 312.009407, 312.013572, 312.018779, 312.025027, 312.028151, 312.037523, 313.016642, 313.021873, 316.035938, 316.919867, 316.928394, 316.937988, 316.947583, 316.953979, 316.957177, 316.966773, 316.974236, 317.974558, 318.052774, 321.974454, 322.90426, 323.971364, 324.125656, 325.596949, 326.902892, 327.993262, 328.174023, 331.052496, 331.071843, 331.075258, 331.084363, 331.09233, 331.098021, 331.103713, 331.107128, 331.112819, 331.123064, 331.13331, 331.142417, 331.149248, 331.152664, 331.193655, 331.218709, 331.42836, 332.095096, 332.109961, 332.116822, 332.12597, 332.157992, 332.921021, 333.088642, 333.116209, 333.120804, 334.062427, 334.092422, 334.910759, 335.078727, 337.094886, 338.017022, 347.21544, 347.995398, 348.218726, 349.059971, 350.123247, 350.131911, 350.135625, 350.145528, 350.155431, 350.162858, 350.166572, 350.177714, 350.187619, 351.152847, 351.159063, 352.159524, 352.283165, 353.085284, 353.095313, 353.104088, 354.099031, 358.013623, 358.017463, 358.023862, 358.031541, 358.035381, 358.046901, 360.00305, 360.028862, 360.972888, 363.049791, 363.979491, 369.185398, 369.19746, 369.209522, 369.977387, 370.193948, 370.200677, 371.058047, 371.172858, 372.136667, 373.141001, 373.997679, 375.050726, 375.05896, 375.064449, 375.0768, 375.085035, 375.089152, 376.072399, 376.080666, 377.053984, 377.074734, 377.078884, 378.06997, 380.006512, 380.014909, 380.019108, 380.030305, 381.00917, 381.085056, 382.091988, 383.022178, 384.925592, 384.934153, 384.946995, 385.032626, 385.289688, 385.937767, 385.96212, 389.961177, 390.135824, 390.891065, 391.050265, 394.890068, 397.969476, 399.081765, 399.101346, 400.103448, 401.07746, 402.050463, 406.005918, 408.114587, 408.919534, 409.178996, 412.118993, 415.074812, 415.202656, 415.983789, 417.06306, 418.128767, 418.143305, 418.152998, 418.157845, 421.067961, 421.082653, 421.090816, 421.094081, 422.249043, 423.032071, 424.031655, 426.011579, 426.019885, 426.02653, 426.031514, 427.01508, 428.962242, 429.155339, 430.095817, 431.967411, 432.018302, 434.117711, 435.024839, 437.185948, 437.964151, 438.187619, 440.124548, 441.127589, 441.976025, 441.984803, 444.067191, 444.141455, 445.042947, 445.05359, 445.064234, 447.057704, 447.331066, 447.980634, 447.993174, 448.002132, 448.996286, 450.080333, 451.063317, 452.911472, 452.922398, 453.018933, 453.94943, 458.124183, 459.038872, 464.148258, 465.957757, 467.08859, 467.100033, 467.105755, 468.091493, 468.898062, 469.065, 471.978626, 473.993985, 474.034931, 476.102741, 476.906501, 477.166339, 483.191688, 483.971227, 484.077857, 485.035078, 486.130789, 486.14294, 486.149015, 486.181419, 487.134732, 489.070224, 490.073042, 491.074836, 492.019903, 494.011578, 494.015727, 495.00259, 496.002848, 498.758722, 499.9562, 502.285424, 503.013582, 503.288649, 505.04457, 505.173256, 505.224744, 506.176543, 506.228184, 507.202244, 508.11203, 508.148818, 508.163968, 509.115407, 509.167499, 511.052511, 511.972679, 513.040206, 513.051184, 514.045011, 515.970484, 515.981555, 516.983914, 517.008344, 521.006969, 521.146299, 521.326162, 521.913614, 524.087456, 524.266576, 525.270439, 525.937486, 527.02615, 527.206779, 529.01589, 529.195243, 530.146417, 531.174163, 531.954468, 532.095894, 532.135318, 532.878232, 533.140945, 535.076577, 535.305817, 536.078832, 537.053336, 537.079202, 538.091808, 539.964397, 543.308096, 544.091322, 544.895467, 545.155094, 547.253318, 548.093576, 548.112971, 549.188565, 550.194174, 551.1781, 551.958811, 552.127898, 553.023637, 554.071834, 554.096475, 554.118654, 554.133441, 554.140834, 555.110659, 555.123014, 557.045543, 557.057963, 558.060365, 562.989511, 563.30259, 565.290657, 566.007412, 566.07102, 570.092318, 571.171386, 573.159811, 573.211664, 574.109836, 574.164417, 575.017936, 576.152829, 577.105069, 577.154839, 577.959906, 581.027693, 583.967971, 585.049261, 586.230085, 588.996581, 589.318091, 589.926709, 592.125556, 592.253521, 593.033094, 593.131331, 594.035713, 595.013454, 595.17253, 595.194477, 597.003749, 597.185681, 597.853479, 598.1187, 598.135282, 599.941333, 600.082948, 600.12461, 604.065828, 604.871659, 605.040329, 611.168315, 611.296791, 613.139878, 615.242071, 616.081932, 618.181864, 619.036484, 619.167449, 621.008262, 622.082687, 622.106139, 624.110287, 625.045133, 627.033846, 630.976964, 633.280015, 635.928844, 636.219805, 638.262131, 639.158742, 639.262554, 641.018963, 641.147765, 641.19991, 642.099647, 642.151908, 643.00744, 643.155331, 644.086982, 644.139486, 645.144476, 645.950164, 646.145615, 647.009143, 647.027799, 647.089993, 649.016208, 650.020113, 651.023212, 651.956291, 652.960724, 657.307301, 657.890334, 660.243064, 661.02262, 661.24744, 662.089926, 664.187031, 664.973584, 664.989783, 665.171252, 666.121931, 666.173904, 667.928301, 669.117012, 669.931998, 670.085998, 671.076796, 671.283762, 672.053334, 672.194895, 672.857204, 679.156457, 679.283544, 679.337065, 681.140394, 682.226513, 682.277015, 683.281486, 684.068408, 685.164929, 685.215758, 687.025549, 687.154851, 688.101908, 688.163296, 688.996252, 690.094373, 692.098944, 693.032116, 695.302303, 698.381481, 698.96765, 699.967231, 701.31972, 703.130319, 704.258886, 705.262766, 706.066707, 706.975005, 707.145506, 707.1988, 707.2521, 708.191172, 709.135682, 709.164225, 709.189202, 710.085658, 710.139285, 710.192918, 712.127761, 713.08016, 713.108941, 713.134126, 713.937152, 714.074126, 715.015984, 718.009045, 720.951445, 724.873366, 725.109403, 725.286506, 726.23955, 726.875957, 727.138903, 728.103025, 728.229245, 730.074299, 731.171252, 732.975014, 733.027506, 733.158758, 734.108576, 736.100532, 737.105224, 739.037273, 740.044181, 741.041715, 747.324173, 748.05421, 748.216585, 749.11447, 750.211925, 750.262396, 751.214534, 751.268996, 753.15159, 753.202358, 754.21097, 755.013832, 755.143193, 756.143922, 756.985286, 758.080371, 760.087609, 761.018853, 763.009907, 765.949089, 766.955331, 769.308265, 770.208047, 770.30094, 771.149866, 772.12584, 772.24746, 773.144281, 773.249892, 774.237997, 775.134213, 775.256544, 777.176861, 778.074085, 778.127394, 778.180708, 780.116023, 781.121447, 781.146195, 781.52994, 782.066831, 783.001514, 785.050426, 787.929932, 790.191241, 791.14053, 791.287697, 792.85863, 793.276365, 796.090943, 796.218269, 797.165687, 797.216717, 799.159496, 800.963752, 801.147941, 802.09559, 804.125167, 805.091052, 805.224861, 808.029548, 812.172296, 815.312395, 816.316139, 817.105465, 818.200949, 818.24959, 819.010724, 819.196744, 819.258764, 821.140445, 821.193794, 822.99739, 823.131226, 824.082401, 826.07044, 828.074685, 829.011895, 833.003759, 834.942136, 837.244177, 837.294526, 838.293291, 839.284656, 840.18115, 840.236366, 842.223146, 843.119728, 843.226119, 845.112108, 845.163169, 846.055152, 846.166749, 848.048621, 848.104614, 849.104091, 851.113042, 852.084948, 852.983207, 859.325264, 860.330344, 861.141407, 861.270329, 864.205131, 864.397157, 868.144815, 868.995995, 869.136366, 876.017254, 877.621288, 878.319213, 881.257634, 886.241039, 887.183877, 887.238797, 888.048217, 889.17926, 890.990412, 891.121069, 894.058358, 898.98791, 901.928389, 902.33793, 905.974554, 906.232208, 907.124541, 907.269089, 908.219834, 909.22387, 910.032447, 911.107033, 911.221352, 913.095088, 913.152433, 917.09077, 918.482835, 926.161535, 927.318173, 932.19764, 934.039396, 937.126561, 952.288956, 953.094516, 954.229586, 957.16566, 958.980941, 959.109999, 963.044726, 969.91338, 975.265678, 976.210053, 982.143596, 985.081022, 1000.176839, 1006.976231, 1012.090964, 1013.247758, 1017.171212, 1019.270586, 1020.193415, 1022.215706, 1028.107001, 1040.512503, 1041.140567, 1041.20404, 1046.185613, 1052.066406, 1053.25368, 1090.201766, 1092.013038, 1106.966269, 1107.968943, 1112.189483, 1153.079678, 1156.170672, 1158.193562, 1159.110069, 1161.133206, 1166.993445, 1266.973823, 1266.999384, 1274.401907, 1366.986043, 1466.965843,
Processing time: 0:00:01.152543

Results for the quried mass "131.076265"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2N2	0.008	1	0	C1,C2,C3,C4,C5,C6,N7,N9,O10,O11
C6O2N2	0.008	1	0	C1,C2,C3,C4,C5,C6,N7,N8,O10,O11
C6O2N2	0.008	1	0	C1,C2,C3,C4,C5,C6,N8,N9,O10,O11
C6O1N3	0.015	1	0	C1,C2,C3,C4,C5,C6,N7,N8,N9,O11
C6O1N3	0.015	1	0	C1,C2,C3,C4,C5,C6,N7,N8,N9,O10