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

Computational Annotation of MS Peaks (CAMP)

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Processed databases
Atom-Mass pairs

Submission id: KNA00740

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00740
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: 159.06642,163.991157,167.003395,170.9412,174.474401,177.047046,179.153512,182.072783,184.361094,190.927982,193.59734,196.030804,198.93597,201.034731,203.645908,206.066087,208.76768,211.07998,213.290774,215.989161,218.015981,222.033591,224.053118,226.969316,229.054094,231.985328,234.990204,238.525024,242.035596,245.034748,248.953803,252.05187,257.087899,261.038523,263.096844,266.075228,269.005253,271.030528,273.062563,276.96836,279.070308,282.0302,284.986526,287.00413,290.036417,292.987163,295.043556,298.04888,300.958263,302.977703,305.065852,309.10199,311.989712,314.139272,316.94767,320.039302,322.151443,325.075967,327.156619,330.082862,332.111201,334.910859,337.003801,340.071753,342.087786,344.132655,347.05793,351.986167,354.003506,358.024,360.106454,363.031638,366.036268,368.125058,370.966386,372.99004,375.076954,378.090961,381.00933,383.097412,385.939365,388.02628,390.042833,393.064134,395.14388,397.969646,400.071868,402.999661,405.109563,408.057112,410.115883,412.986699,415.044594,418.049755,420.961998,422.979594,425.06802,427.090229,430.10436,433.022805,435.139842,437.95216,440.04096,443.064825,446.077244,448.199414,451.085192,454.914118,457.014816,461.050547,463.131795,465.957922,468.045741,470.064817,472.972229,476.045995,478.103289,481.117614,484.015652,486.03782,488.945768,490.964001,493.054735,495.079758,498.092455,501.009826,503.128876,506.499611,509.028786,511.052693,513.082107,515.143513,518.100766,520.181314,524.001519,526.113187,529.036773,531.118851,534.047011,536.064957,539.168969,541.720701,544.204232,547.004474,549.10367,552.003113,554.141035,556.221998,558.958304,561.04138,563.065436,565.397526,567.994688,570.11567,572.924175,576.014582,578.125532,581.051718,583.131909,587.059807,589.899851,591.989681,594.044132,596.2193,599.031961,602.040358,604.144591,607.157714,609.968524,612.191756,615.003057,617.094574,620.009751,622.129813,624.939084,628.029014,630.121638,633.06652,635.148102,638.100924,640.911885,644.003834,647.003153,649.038305,651.12074,654.081472,656.884284,659.170859,661.983956,664.209903,666.918668,669.104168,672.020656,674.142007,676.951748,680.043703,682.065183,685.080467,687.97258,690.115165,692.925516,696.016653,698.238784,701.053362,703.130564,706.091766,708.170055,711.184682,714.09961,716.217002,719.031801,721.932851,724.037352,726.154764,728.935445,732.19232,735.00402,737.094136,740.010206,742.129366,744.937091,748.031275,751.028109,753.065946,755.983146,758.104292,760.884275,763.006187,765.112996,769.042528,771.12181,774.07955,776.41632,779.17033,785.013293,787.09097,791.018893,794.142694,796.953386,800.185137,802.993604,805.082694,807.205944,810.121184,812.925239,816.021263,818.130483,821.056263,823.135966,826.075204,828.097475,831.99204,835.010793,837.029382,839.105812,842.066444,844.875718,847.153769,851.197775,853.845463,859.016285,862.130834,864.940264,867.164899,869.979599,874.071161,878.108075,880.912047,884.146545,887.029423,889.179555,891.956236,894.078858,896.163447,899.97697,903.209429,905.980006,909.23971,915.142262,918.010006,920.184172,923.075667,927.030449,930.120415,932.924304,936.157443,941.052391,947.091703,952.133829,956.221157,963.067626,971.84551,974.007043,976.389034,979.045953,983.133243,988.166933,990.960503,994.06786,999.114268,1004.145093,1006.976556,1010.050433,1015.078643,1020.126025,1026.017864,1031.059585,1033.566141,1046.537657,1052.034505,1056.159672,1073.044813,1083.0625,1087.019508,1089.542728,1092.593123,1095.115245,1099.062823,1105.208265,1120.023422,1128.491358,1134.972309,1154.968736,1165.985185,1173.604627,1197.096462,1205.964414,1240.019446,1247.985687,1263.810603,1265.98643,1285.432374,1311.984258,1327.546052,1339.321101,1355.505264,1365.974832,1377.000488,1407.951364,1410.920465,1430.404588,1433.957848,1439.720204,1446.099005,1465.968928,
Replicated queried mass peaks: 102.751759, 102.956916, 103.474791, 105.43925, 106.041154, 106.475107, 108.43276, 108.704834, 110.85987, 111.925137, 112.964764, 112.969982, 112.977468, 112.979283, 112.980191, 112.982233, 112.984048, 112.984729, 112.985863, 112.987678, 112.989721, 112.991536, 112.992217, 112.992897, 113.006968, 113.348187, 113.989047, 114.462101, 116.977235, 117.202967, 117.282836, 117.806755, 118.076092, 121.302451, 124.557493, 127.224907, 127.456487, 127.481774, 127.495644, 128.115847, 131.054487, 131.595566, 136.051652, 137.913833, 139.006873, 141.567124, 142.112876, 142.94648, 146.938456, 148.043712, 149.021158, 149.022877, 149.025626, 149.028032, 150.028799, 150.848379, 154.028876, 154.049103, 154.050187, 154.051632, 154.053077, 154.054522, 154.056328, 154.059218, 154.060302, 154.062108, 154.064999, 154.06825, 154.07078, 154.071863, 154.073309, 154.075477, 154.085594, 154.095713, 154.16187, 154.970392, 154.981691, 155.058999, 155.062282, 155.063741, 155.065565, 155.068484, 155.338443, 157.011751, 157.380389, 157.836082, 159.069452, 160.035065, 160.056104, 160.060695, 160.064138, 160.065286, 160.067199, 160.07026, 160.073321, 160.076765, 160.079826, 160.080974, 160.084418, 160.105849, 160.176298, 160.190087, 160.902244, 160.96666, 161.067025, 161.07359, 163.998299, 164.99279, 164.995993, 164.997194, 164.999197, 165.0024, 165.006004, 166.002416, 167.040098, 172.593104, 174.955652, 174.982762, 176.028234, 176.040589, 176.044119, 176.04765, 178.977408, 180.969406, 180.970786, 180.973086, 180.976305, 183.569117, 194.136904, 194.855385, 195.098682, 196.04688, 196.436937, 197.613596, 197.940451, 198.043616, 200.037868, 200.057113, 201.036346, 201.039039, 201.042809, 202.042319, 202.461845, 203.042742, 204.956756, 205.074886, 206.071117, 206.072793, 206.075588, 206.080059, 206.08509, 206.9722, 206.983451, 207.072372, 207.079128, 207.411132, 207.974937, 208.079808, 208.980985, 208.988976, 209.025512, 209.314714, 209.996649, 211.082877, 212.020568, 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1094.006898, 1100.020311, 1105.965301, 1106.966615, 1135.030104, 1135.080677, 1166.993803, 1198.098715, 1206.961982, 1207.635644, 1266.982722, 1366.97689, 1367.349364, 1466.987486, 1467.11488, 1467.316622,
Processing time: 0:00:01.118254

Results for the quried mass "129.975853"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O2N2	0.169	10	2	C1,C3,C4,C5,C6,N7,N9,O10,O11
C5O2N2	0.169	10	2	C1,C2,C4,C5,C6,N7,N9,O10,O11
C6O1N3	0.108	0	0	C1,C2,C3,C4,C5,C6,N7,N8,N9,O11
C6O1N3	0.108	0	0	C1,C2,C3,C4,C5,C6,N7,N8,N9,O10