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

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00562
Synonyms: L-Ornithine, (S)-2,5-Diaminovaleric acid, (S)-2,5-Diaminopentanoic acid, (S)-2,5-Diaminopentanoate
Total mass: 132.1605
Formula: H12 C5 O2 N2

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: 137.06801,142.150988,146.40621,149.58402,157.011401,159.212847,165.014435,168.197958,171.958723,174.918078,177.087576,179.610165,182.34976,184.370575,186.929215,188.948802,191.037708,199.055326,201.4236,204.496329,206.972227,211.019763,216.059371,219.056057,221.113877,227.069511,229.368822,231.458215,236.823475,239.014395,241.080201,244.099024,246.935733,248.959787,251.028364,254.916501,256.985183,259.022434,261.039377,263.1719,266.983696,272.766192,275.032261,278.01466,282.526652,285.020215,287.105259,289.133368,293.056397,297.033699,306.583591,310.706892,316.082809,318.099024,322.737863,324.791648,327.096337,330.00931,333.134766,336.047472,341.000267,343.061782,347.123962,353.006506,358.094442,361.014529,363.085254,365.29385,369.109188,372.108358,375.465667,379.041443,381.45797,388.454103,390.999323,397.166914,403.031794,405.101899,411.099984,414.468555,417.230664,420.222214,429.090041,432.088068,437.231057,440.229438,444.177029,447.129351,449.181688,453.028249,456.192725,459.805595,465.225333,467.848822,471.019454,479.088489,483.099654,487.2061,490.118405,494.17784,497.052459,499.070584,501.196406,507.079509,515.114867,517.168548,525.175187,533.141212,536.834991,539.005874,541.261318,545.215492,547.732811,551.085485,553.31642,557.030917,562.165422,565.171612,567.417209,571.316121,575.065116,580.261389,584.149601,586.329609,592.172129,594.301428,601.128862,603.250707,606.99389,612.346402,619.295848,625.089727,633.156896,637.170157,643.161808,645.191232,648.251867,652.132768,655.26834,661.151396,667.364771,670.233819,679.247081,687.21304,690.468185,693.077262,703.014428,705.312647,711.174026,714.767149,720.578891,723.254072,729.136365,731.276201,739.22745,745.183093,747.235761,750.892126,755.272945,757.324158,763.113809,765.329056,773.075605,779.162213,784.224457,789.118372,791.241812,797.25962,799.454462,805.160487,807.214713,809.342058,815.220419,823.256552,825.313268,833.31765,841.356047,847.149218,859.230484,865.243228,870.057282,875.200166,877.327043,881.322295,883.342564,893.296601,901.304788,905.980119,911.398484,926.486874,933.236745,943.183211,951.2908,961.285899,969.297763,976.469857,979.381846,987.211139,1000.392457,1005.969235,1010.529845,1019.320222,1024.250662,1027.391592,1030.947129,1037.046662,1046.115751,1048.375958,1055.511619,1065.994028,1073.350489,1087.310851,1105.402789,1107.976389,1115.3501,1123.501699,1133.456918,1155.9558,1162.345633,1165.985321,1173.384511,1177.121991,1191.490062,1201.443556,1205.95664,1209.580673,1233.978145,1240.209354,1250.012345,1259.467443,1265.544153,1267.988864,1277.571396,1281.991421,1288.520393,1291.970282,1305.953902,1314.925242,1331.080706,1333.966349,1345.556641,1355.514841,1365.974981,1389.695724,1392.577781,1423.500067,1433.958002,1453.34705,1457.122794,1465.969084,1470.092288,
Replicated queried mass peaks: 101.147355, 101.652008, 102.070571, 102.948835, 102.956927, 103.609165, 103.733809, 103.920296, 103.957133, 104.551624, 105.30112, 106.779659, 106.822825, 110.173932, 110.67729, 111.635778, 112.301712, 112.983606, 112.985648, 112.987463, 112.989505, 113.314235, 114.056228, 114.951622, 114.953019, 115.227345, 118.603157, 119.271688, 120.855924, 121.121687, 122.166251, 123.524975, 123.951717, 124.340063, 129.975585, 131.056483, 131.073776, 131.07491, 131.076894, 131.078028, 131.080297, 131.085117, 131.087385, 131.089937, 131.090788, 131.108655, 132.074321, 132.08063, 132.081777, 132.085792, 132.087226, 132.227013, 132.275861, 134.264562, 139.006887, 142.890974, 142.946173, 150.309042, 157.056015, 157.235034, 159.391385, 159.899006, 160.892241, 166.601291, 166.772464, 169.459113, 172.538732, 173.050693, 174.955673, 175.046649, 176.632096, 176.667139, 180.972647, 180.974487, 182.985982, 183.022933, 185.021215, 187.017126, 187.222169, 188.174897, 189.040597, 191.529035, 192.106242, 192.546667, 192.700213, 193.009376, 199.060632, 199.064877, 199.069653, 199.072306, 199.073898, 199.078674, 199.083451, 200.068367, 200.072644, 200.993297, 201.045529, 202.433572, 203.011616, 205.007239, 212.020011, 212.023511, 217.99837, 220.961764, 220.977899, 221.051771, 222.469306, 229.010901, 229.02989, 229.063946, 231.00051, 231.00648, 231.086765, 231.935965, 233.022208, 237.936647, 238.018491, 243.09555, 245.06233, 245.071752, 247.050874, 249.016943, 250.531658, 250.941221, 251.03137, 255.664024, 257.025661, 261.053721, 261.876454, 263.175933, 264.01278, 264.174949, 264.318594, 267.049644, 267.057064, 268.060039, 273.438109, 276.971901, 277.011965, 279.588107, 282.557159, 282.968593, 283.025258, 283.040552, 284.024631, 285.130249, 285.138436, 285.142074, 285.145713, 285.153901, 285.162089, 285.169367, 285.177556, 286.022871, 286.149946, 286.157263, 287.11445, 287.122723, 287.130076, 287.13743, 287.145704, 287.153978, 287.157655, 288.000715, 288.126339, 288.132807, 288.996875, 289.636536, 290.976629, 291.076994, 307.136064, 307.766522, 308.247543, 310.83938, 310.998892, 312.088714, 316.94668, 317.082113, 317.090647, 317.100248, 318.093665, 319.091758, 319.106835, 323.104041, 324.001282, 324.102676, 325.015152, 325.099302, 325.108162, 331.147148, 334.137601, 335.002437, 335.044144, 335.100926, 336.104509, 336.633663, 344.209927, 344.999143, 348.126849, 353.067914, 353.130593, 353.140623, 353.148145, 353.151907, 354.144533, 354.954284, 361.101374, 362.088672, 362.099086, 363.017293, 363.095711, 364.100393, 365.096071, 370.108008, 371.09333, 371.104135, 372.730251, 373.101684, 373.904949, 377.160694, 379.069329, 379.140452, 392.699278, 393.002325, 404.034936, 404.182276, 404.718598, 412.883708, 413.097774, 415.11176, 415.645974, 419.219845, 420.994712, 421.055102, 421.128567, 421.141629, 422.131239, 430.075797, 431.083553, 433.010968, 433.084178, 433.208509, 438.116778, 439.092097, 439.22598, 441.229335, 447.33127, 448.172578, 450.185187, 457.188426, 466.227946, 471.502663, 489.115448, 491.943884, 497.09224, 497.184385, 498.063138, 499.291831, 500.074751, 501.075594, 507.213289, 508.216168, 515.134747, 516.159007, 518.049594, 533.213318, 533.415757, 547.074651, 547.159274, 547.217313, 549.334762, 551.239499, 551.288406, 551.293297, 551.310416, 552.312052, 557.060724, 557.102955, 558.105479, 567.057321, 569.183312, 575.200622, 575.393539, 576.202761, 576.678648, 581.266198, 585.156508, 586.157977, 587.280311, 593.164376, 593.298138, 601.198482, 602.244225, 603.379495, 604.256909, 635.045376, 635.15726, 643.186461, 644.19231, 646.040437, 653.143916, 654.027835, 654.147934, 661.2831, 662.286631, 668.483398, 669.186013, 669.244887, 671.241372, 687.284521, 688.419499, 705.379892, 712.17837, 716.372839, 721.131031, 729.270295, 730.275944, 740.230942, 747.366988, 748.371633, 767.28084, 773.579416, 798.264288, 799.262319, 808.220899, 815.356761, 816.360586, 817.172043, 825.1789, 826.313103, 866.249077, 878.703339, 884.345366, 901.43772, 902.445892, 927.569395, 951.329604, 952.333803, 962.294628, 969.42891, 970.42764, 981.057497, 987.392832, 1006.976678, 1020.323162, 1029.273107, 1031.823242, 1037.412713, 1037.917929, 1038.417191, 1047.369807, 1074.474164, 1105.861206, 1105.88205, 1105.916791, 1105.965432, 1106.410292, 1106.966746, 1124.498431, 1125.49649, 1166.986407, 1192.48528, 1202.443397, 1206.954199, 1207.960927, 1210.59069, 1251.324285, 1265.978062, 1266.982865, 1366.97704, 1367.980202, 1390.929795, 1434.963914, 1466.966411,
Processing time: 0:00:00.747756
Queried mass list: ['100.420', '102.786', '104.952', '109.452', '111.635', '113.989', '117.819', '120.516', '122.674', '125.292', '129.067', '131.083', '133.666']

Queried mass	Num. matched formulas	Num. matched fragments
100.420204 (link to fragments)	1	1
102.786216 (link to fragments)	2	3
104.951873 (link to fragments)	2	4
109.452131 (link to fragments)	2	4
111.634886 (link to fragments)	2	4
113.988828 (link to fragments)	2	4
117.818605 (link to fragments)	2	3
120.515513 (link to fragments)	1	1
122.673968 (link to fragments)	1	1
125.292183 (link to fragments)	1	1
129.066595 (link to fragments)	1	1
131.082565 (link to fragments)	1	1
133.666363 (link to fragments)	1	1