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

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KNA00660

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00660
Synonyms: L-Tyrosine, (S)-3-(p-Hydroxyphenyl)alanine, (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid, Tyrosine
Total mass: 181.1881
Formula: H11 C9 O3 N1

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: 184.342673,187.215878,189.404013,193.954102,196.060909,199.263482,202.047772,205.082681,212.83015,216.032973,219.042582,221.450948,225.098458,229.885546,232.008056,234.91403,238.019185,240.869593,243.061181,246.061246,251.995984,256.958722,260.003416,264.018453,266.04659,269.961461,272.049269,278.013784,280.858993,286.3897,292.079741,296.034222,300.011628,303.023603,305.938563,308.006381,310.023029,312.131426,315.929979,318.334969,321.048826,323.955009,325.995976,328.043944,331.952395,334.003782,336.885858,340.059982,342.763054,344.978562,349.277104,351.648349,357.087724,359.124708,361.150643,364.856315,366.998747,374.071654,378.895092,382.529982,385.038518,391.978378,394.881364,396.977064,399.086479,401.267418,403.933686,406.038576,410.002979,413.062878,416.067353,421.077956,423.567029,426.021747,429.115231,431.354241,435.062757,437.086,441.078783,444.711635,448.120599,451.034565,453.914921,456.062051,459.029796,461.063693,465.092654,467.678711,470.078367,472.90041,475.013603,477.107519,481.085808,491.987178,494.99869,497.111086,502.066692,504.083387,511.935729,517.98277,520.380931,522.94939,525.851165,529.867744,531.950099,540.052389,542.214211,547.217313,549.960453,558.063134,561.971567,564.137339,566.170551,569.938331,572.05471,575.949369,579.89713,586.176745,589.234603,593.970362,596.08463,598.13005,603.144349,606.124607,608.287153,612.17753,616.119795,619.118272,624.125322,626.542012,631.100064,637.136733,640.09733,650.051742,654.091041,656.204212,662.099904,664.116211,668.993092,672.033911,676.160552,682.129221,688.757467,691.758847,703.232822,705.992615,710.279085,713.022944,718.434865,721.361582,728.504419,733.001609,737.287092,741.564482,747.243479,751.907786,754.982835,757.245414,763.348847,766.374157,769.223977,774.201733,777.201789,781.064074,783.213039,789.231462,792.53854,795.87069,798.179073,805.20797,808.112384,819.019963,830.113731,834.883271,841.074862,843.175625,857.145328,861.032005,870.746202,882.02959,887.084441,892.092251,905.980119,914.076309,932.278726,959.632543,967.33943,978.982411,981.615066,986.285871,988.466428,993.695037,997.731585,1002.242223,1005.921012,1011.7326,1026.042825,1030.890845,1042.182706,1044.487567,1049.550564,1065.271083,1070.188424,1076.426497,1080.541741,1082.638504,1087.575077,1102.658264,1105.3403,1107.412211,1113.557704,1128.570279,1142.493702,1155.9558,1160.625551,1163.31205,1165.985321,1169.921809,1172.140112,1181.75952,1187.954702,1190.278823,1195.759614,1205.95664,1225.829141,1228.802285,1233.969956,1236.660506,1246.695768,1255.491012,1265.978062,1282.97194,1292.172099,1298.955978,1305.944986,1333.966349,1355.665715,1364.012236,1366.97704,1373.60875,1382.966749,1398.645525,1403.897944,1410.250001,1417.501925,1433.958002,1451.945381,1455.936047,1465.969084,1470.560965,1482.696242,1487.843965,
Replicated queried mass peaks: 102.890839, 103.920096, 104.510232, 106.606843, 107.050135, 107.147506, 107.271454, 107.603035, 107.702007, 110.123698, 110.192069, 112.985648, 113.857652, 114.279785, 114.951389, 118.151771, 119.015176, 119.050017, 121.171316, 123.129855, 133.013878, 135.005971, 136.408248, 137.287172, 145.890482, 146.898436, 146.965735, 147.029711, 148.580507, 148.952461, 158.924781, 159.893276, 159.89595, 160.841743, 160.892241, 161.104901, 163.039536, 163.901943, 164.04277, 164.684133, 167.59991, 170.338997, 170.951355, 174.186971, 174.286911, 178.032107, 178.976976, 180.024728, 180.051199, 180.054851, 180.058959, 180.060785, 180.062611, 180.066719, 180.070828, 180.072198, 180.07448, 180.077676, 180.078589, 180.081785, 180.108726, 180.116489, 180.192783, 181.714074, 181.725645, 181.816394, 182.070484, 189.501561, 189.924646, 189.995381, 191.016259, 191.019252, 195.050321, 195.186777, 197.962578, 200.369178, 204.030818, 213.531708, 213.998188, 216.037772, 216.039572, 216.042572, 216.046171, 216.047971, 216.053371, 217.045557, 217.294067, 218.022088, 218.034253, 218.039727, 220.140588, 220.974796, 225.145682, 225.415908, 225.794916, 226.070808, 226.143394, 229.964589, 230.066087, 230.36504, 232.055467, 232.932181, 234.992277, 236.000735, 238.024041, 239.027661, 240.021482, 241.885597, 244.065162, 248.053128, 265.04347, 269.965651, 270.035221, 270.446489, 270.969901, 271.328413, 271.958581, 272.670892, 272.95609, 279.990416, 280.86255, 280.99866, 281.919329, 287.991481, 287.998868, 294.056061, 305.02062, 306.009346, 306.937855, 306.941919, 307.000854, 307.112675, 307.616625, 307.934904, 307.940009, 308.688701, 308.938872, 309.932293, 310.254174, 311.061073, 311.16786, 313.413722, 313.932217, 315.967115, 316.323954, 319.957188, 320.061017, 321.862225, 321.942971, 321.956068, 322.869352, 322.95596, 324.955381, 325.955947, 327.311036, 327.957526, 330.042159, 331.961537, 332.038111, 332.956779, 338.872404, 346.054849, 359.080995, 359.223734, 359.977416, 361.106559, 361.119524, 361.1286, 361.138973, 361.162313, 362.020991, 362.127728, 362.143351, 363.141466, 363.146696, 375.736598, 383.098848, 383.108765, 383.121516, 383.130017, 383.134267, 383.145602, 384.113778, 384.116623, 384.125157, 385.09705, 385.1099, 385.128463, 385.893549, 386.015315, 386.101302, 391.984242, 393.977098, 394.891742, 394.977746, 395.222566, 395.622185, 395.976257, 396.049213, 397.116074, 397.97717, 398.119708, 399.095517, 399.443704, 399.978175, 400.099109, 402.00954, 404.045677, 405.103439, 406.1066, 408.010441, 411.090535, 412.000668, 414.068703, 415.059034, 416.746431, 417.058432, 417.069696, 417.948105, 423.066794, 423.595028, 424.071451, 426.848618, 426.885275, 430.117927, 431.102155, 431.110611, 432.106735, 437.041116, 445.092821, 446.096882, 446.175217, 449.039633, 449.979529, 450.028225, 450.039047, 450.044459, 452.038837, 453.031892, 454.035534, 455.051686, 459.068818, 459.27702, 460.055311, 461.026286, 461.114199, 462.067887, 463.024537, 467.988421, 469.070993, 473.017007, 474.021527, 475.129026, 476.132433, 478.054004, 478.111278, 481.153597, 482.166157, 483.019419, 483.045493, 483.063546, 492.034601, 493.092062, 495.088172, 496.092864, 504.939769, 504.954775, 523.207055, 529.925358, 529.946101, 529.959931, 529.966846, 529.985287, 530.947838, 533.893226, 540.073729, 540.510307, 541.056774, 541.218497, 542.059195, 543.21746, 544.2163, 547.955692, 548.960345, 549.220451, 551.927238, 558.898464, 563.085707, 563.300345, 564.182909, 564.195568, 565.092928, 565.186843, 565.923748, 567.174693, 576.953467, 577.954942, 580.161052, 580.22442, 581.162953, 587.180836, 591.076472, 594.137229, 595.123449, 596.109376, 596.131375, 596.150624, 596.156124, 597.13635, 597.931112, 598.141105, 600.127683, 603.959551, 604.12784, 604.141867, 604.902874, 605.144675, 606.135885, 613.180339, 614.182738, 617.106242, 617.239493, 618.115384, 620.018584, 625.932087, 626.121483, 627.188437, 632.269876, 641.102073, 641.129675, 650.684724, 655.985134, 656.086722, 658.059656, 662.161064, 663.105295, 663.163368, 665.119719, 682.385101, 684.139729, 692.357347, 710.959086, 711.019976, 712.023993, 734.003717, 742.068353, 743.07381, 748.247875, 749.250423, 753.69895, 767.236672, 776.199835, 779.0102, 784.149778, 785.150542, 791.208173, 799.189749, 800.189516, 810.125644, 836.52187, 843.744874, 845.182129, 862.116596, 887.319097, 933.279837, 959.655009, 968.505744, 968.81332, 1002.284186, 1005.969235, 1006.976678, 1011.74476, 1027.852148, 1049.858985, 1080.628985, 1105.965432, 1106.966746, 1108.415492, 1163.881976, 1166.993939, 1182.980837, 1206.962121, 1207.810234, 1207.960927, 1247.552811, 1255.953397, 1266.982865, 1267.988864, 1283.970969, 1306.426603, 1307.613946, 1334.979463, 1355.948671, 1356.949159, 1365.974981, 1367.980202, 1383.734687, 1383.968112, 1434.953645, 1466.966411, 1482.955151, 1484.121082, 1484.618099, 1488.646649,
Processing time: 0:00:01.480277

Results for the quried mass "178.35478"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C9O3N1	0.190	8	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12,O13