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

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KNA00572

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00572
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: 184.108354,186.368917,189.004755,191.168477,197.056374,202.047772,204.997812,209.890353,213.998188,216.032373,219.042582,224.453494,226.865368,229.932309,232.008724,234.296228,238.018491,242.077614,245.742152,248.053128,251.995984,254.059747,256.992967,260.003416,264.018453,266.04659,268.075794,270.097271,272.434561,275.016751,278.013784,280.858993,283.067543,286.161835,292.078798,296.035185,300.014573,302.049301,304.972316,307.000854,309.932293,313.932217,316.003197,318.059369,321.954976,324.015606,326.041575,328.057415,331.070881,337.980809,341.939679,346.04512,355.58939,357.979246,361.019713,363.142774,366.620472,373.17522,377.134402,382.671372,385.09705,393.978575,397.116074,399.979687,404.045677,406.1066,408.292417,411.005513,413.062878,416.062543,423.045422,425.991845,429.100117,437.041116,441.078783,445.091047,447.161506,450.028225,453.031892,455.051686,458.033633,461.026286,463.156333,467.990334,470.076442,473.017007,475.072287,477.107519,479.701264,482.052159,486.019695,489.938055,495.088172,501.510297,504.081248,512.016709,515.033151,517.104115,522.94939,527.129292,529.946101,533.893226,541.218497,544.2163,547.217313,550.943751,554.121395,559.945892,564.182909,572.950163,575.949369,580.158411,584.194949,587.180836,591.076472,593.131624,596.112126,598.141105,602.140924,605.144675,608.394876,611.071571,613.140179,618.112481,622.860538,625.157644,631.052141,633.123787,637.136733,640.094271,644.764164,648.105333,651.054913,654.091041,656.204212,660.006263,662.157845,665.061388,671.070552,674.072655,676.160552,680.25157,686.013144,688.04768,690.331093,695.025611,697.048245,699.967568,708.594034,711.016394,716.347482,722.024574,724.722561,727.450527,731.08943,736.089564,747.247338,762.552549,766.49442,776.199835,781.513797,787.433283,794.44731,798.179073,803.561478,807.193049,814.97421,820.163675,824.409154,827.917523,830.118249,832.936017,838.867172,848.408399,867.111941,874.129861,884.300651,891.106399,897.416798,905.974967,914.321757,921.372011,929.322506,971.548052,986.274167,989.036203,1004.018982,1006.976678,1014.03474,1031.503957,1041.426696,1064.155252,1069.580158,1080.79679,1088.585443,1092.211253,1105.965432,1111.139566,1119.20252,1138.6802,1142.814792,1150.392155,1155.9558,1165.985321,1173.946657,1180.448139,1188.380281,1205.95664,1217.543848,1227.639361,1233.216866,1254.206082,1256.878934,1260.202448,1262.860585,1265.918493,1267.988864,1270.714477,1273.208523,1277.00218,1279.255397,1281.913375,1283.970969,1295.619052,1302.261418,1305.953902,1313.548024,1325.738623,1333.966349,1345.911065,1349.060385,1353.612225,1355.948671,1365.974981,1382.966749,1394.681248,1430.00621,1433.958002,1455.936047,1458.195264,1465.969084,1475.881206,1482.955151,1487.659657,
Replicated queried mass peaks: 100.956396, 101.780313, 102.832104, 103.070312, 103.414573, 104.302228, 106.042404, 106.141089, 106.201441, 106.490273, 107.050135, 111.259674, 111.93902, 112.325999, 112.983832, 112.985421, 112.987463, 114.484095, 114.951622, 119.694868, 127.214346, 128.035075, 128.036991, 128.284518, 128.72818, 130.670981, 134.046731, 134.060807, 134.260447, 135.030869, 135.323941, 135.46026, 136.81369, 139.354334, 143.045999, 144.04939, 145.798972, 145.890149, 146.045414, 146.714274, 146.965398, 148.947309, 148.952117, 150.041664, 150.979747, 151.025672, 153.22378, 155.082003, 160.006786, 162.05561, 162.502418, 162.838737, 163.03167, 163.036783, 163.039536, 163.042289, 163.903925, 164.112258, 169.228872, 169.497045, 169.80222, 170.546677, 171.076844, 175.017774, 177.03327, 179.940332, 179.982751, 180.024271, 180.050743, 180.055307, 180.059415, 180.063067, 180.066719, 180.069915, 180.074024, 180.077676, 180.079046, 180.082242, 180.108726, 180.192783, 181.069277, 181.072039, 181.449185, 182.07002, 184.365373, 184.822149, 185.445121, 189.995381, 191.018753, 192.511337, 198.087353, 203.048782, 203.050969, 205.482219, 210.087546, 210.257941, 211.000652, 214.802452, 215.480324, 216.035972, 216.037772, 216.042572, 216.051571, 217.046161, 218.034861, 218.039727, 218.042769, 228.098275, 231.108005, 231.188343, 231.935298, 233.98486, 234.339598, 236.000735, 238.024735, 238.028204, 239.431726, 240.021482, 243.061181, 248.340501, 248.959045, 248.99096, 252.107119, 254.077345, 255.677154, 262.004606, 265.04347, 267.066134, 267.068608, 267.072731, 267.986257, 269.949729, 269.961461, 271.959428, 272.08403, 272.08827, 273.090756, 276.053676, 279.990416, 280.99866, 282.083954, 283.08734, 287.998868, 288.065364, 294.055108, 294.058919, 294.069399, 301.062911, 303.023603, 303.049516, 304.013643, 304.052704, 304.059716, 305.012568, 305.02062, 305.045783, 305.063902, 305.938563, 306.008334, 306.049804, 306.05992, 306.068013, 306.076106, 306.083188, 306.092294, 306.941919, 307.012034, 307.072006, 307.079123, 307.083189, 307.934904, 308.071753, 308.079926, 310.035405, 310.144761, 310.406003, 310.56208, 310.626198, 314.101478, 315.351505, 315.928918, 316.040345, 319.957188, 320.001525, 320.017749, 322.091448, 322.95596, 323.318116, 323.955009, 324.955381, 325.762573, 325.955947, 325.995976, 327.957526, 330.042159, 330.068215, 331.952395, 332.024394, 338.047733, 339.960483, 346.048768, 346.054849, 346.063363, 346.07431, 347.051882, 347.05799, 347.978408, 348.058138, 358.795772, 358.987168, 359.994192, 361.119524, 361.123414, 361.129897, 361.138973, 361.149346, 361.161016, 361.259589, 362.142049, 363.146696, 366.998747, 367.517336, 368.037025, 373.99102, 374.040217, 378.896485, 383.101681, 383.110182, 383.114432, 383.121516, 383.131433, 383.144185, 383.961637, 384.118045, 384.125157, 384.136536, 384.512332, 385.128463, 386.099868, 394.976263, 395.072679, 395.976257, 397.97717, 398.118207, 399.086479, 399.095517, 399.113593, 405.049529, 405.089576, 405.103439, 407.982415, 408.543482, 410.002979, 411.148807, 414.003443, 414.559438, 415.059034, 416.06575, 416.147536, 417.058432, 417.071305, 423.066794, 424.071451, 426.020086, 427.085309, 427.232089, 429.115231, 431.103846, 438.04402, 446.095102, 448.120599, 448.145691, 449.04143, 449.149315, 450.039047, 451.034565, 451.047234, 451.108774, 452.038837, 453.042823, 454.035534, 459.029796, 459.516999, 461.063693, 461.114199, 461.814656, 462.067887, 463.02642, 469.070993, 475.013603, 475.129026, 476.132433, 478.111278, 478.172513, 482.100153, 483.045493, 483.063546, 484.047937, 491.054542, 502.066692, 504.937625, 505.010518, 505.942359, 513.902171, 513.950596, 517.835801, 518.894928, 519.055753, 523.584856, 524.346223, 524.936517, 531.961689, 542.214211, 542.230909, 543.21746, 546.217439, 547.955692, 548.139914, 549.111038, 555.264169, 564.195568, 564.996498, 565.186843, 566.173096, 581.04915, 581.131191, 581.1656, 581.605248, 586.176745, 589.056291, 594.137229, 595.126191, 596.131375, 596.153374, 597.13635, 604.139062, 606.121788, 607.135184, 611.082987, 611.100111, 611.12009, 611.128653, 611.142925, 611.162906, 611.191453, 611.211436, 612.123162, 612.146053, 612.163222, 612.17753, 612.214733, 613.180339, 614.14248, 615.144358, 619.118272, 625.932087, 626.121483, 627.123156, 631.100064, 634.088015, 634.13025, 635.099802, 635.12097, 649.088378, 649.585431, 650.051742, 655.106748, 656.061323, 656.086722, 658.059656, 664.061246, 664.119445, 666.067039, 673.071919, 677.088292, 677.164858, 686.036908, 687.015674, 687.042892, 691.336238, 695.053307, 709.025435, 709.111049, 710.211138, 724.943774, 727.954922, 748.247875, 763.145672, 767.204553, 767.236672, 767.244703, 777.201789, 789.231462, 795.853722, 798.33247, 799.185481, 799.330628, 800.189516, 825.402865, 826.353494, 830.674325, 885.27025, 898.113049, 898.428406, 899.115647, 922.038142, 973.289675, 1005.969235, 1065.994028, 1106.966746, 1166.263689, 1166.986407, 1206.954199, 1234.977882, 1255.953397, 1256.954705, 1265.978062, 1266.982865, 1280.051057, 1282.97194, 1284.049203, 1313.655963, 1334.970248, 1349.266362, 1349.406829, 1366.97704, 1367.980202, 1384.308628, 1466.966411, 1484.66133,
Processing time: 0:00:01.812269

Results for the quried mass "149.947955"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O3N1	0.163	4	0	C2,C4,C5,C6,C7,C8,C9,N10,O11,O12,O13
C7O3N1	0.163	4	0	C1,C3,C5,C6,C7,C8,C9,N10,O11,O12,O13
C8O2N1	0.206	8	0	C1,C2,C3,C4,C5,C6,C8,C9,N10,O12,O13