Guanine; LC-ESI-ITFT; MS; NEG

Outputs for Guanine; LC-ESI-ITFT; MS; NEG

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00640
Synonyms: Guanine, 2-Amino-6-hydroxypurine
Total mass: 151.1259
Formula: H5 C5 O1 N5

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: 159.029683,172.006022,177.039946,184.349293,187.021958,194.887275,197.054283,205.976723,207.9999,210.998915,213.036788,218.028779,228.072894,233.993651,238.96693,242.014294,248.008848,257.108204,262.002203,264.034664,266.103169,269.990794,275.016751,279.999268,283.042351,286.016473,289.10179,291.930789,294.964157,300.818301,303.091382,309.043541,320.03181,322.929645,328.045066,332.06669,336.087047,339.0469,343.151836,346.054849,348.103534,355.009883,357.103023,363.0186,365.040722,368.081049,371.146009,375.052272,378.896485,383.113015,391.091365,393.112745,399.011176,402.00954,407.122802,413.089843,416.155556,419.167956,424.130854,430.052207,434.092281,437.110171,440.119517,444.019663,452.111477,454.141567,472.089309,474.122936,479.100376,482.096153,488.117603,494.200672,497.132027,504.939769,507.09461,513.950596,517.09745,519.131724,522.195571,524.212411,529.946101,535.095553,542.052042,547.955692,550.106683,559.205638,564.139871,567.205318,588.160559,603.166738,605.195303,611.142925,620.018584,622.129897,625.17241,631.031177,639.16516,645.250065,648.19886,655.988308,666.187221,670.18137,673.246805,687.14157,693.204828,700.997347,742.068353,754.199588,756.246427,773.067483,776.220264,784.149778,790.216792,796.299299,799.249512,822.226622,829.765905,844.259083,905.29014,924.120481,926.247163,928.290349,941.265253,950.299319,972.280797,980.81371,999.299378,1003.256078,1005.975263,1025.813116,1056.341396,1078.323943,1089.814694,1094.307894,1101.351978,1105.888998,1132.87317,1165.985321,1176.862609,1205.95664,1208.389367,1252.39542,1259.332339,1265.978062,1305.962819,1333.966349,1358.43305,1365.974981,1380.947889,1403.440902,1433.968261,1465.969084,
Replicated queried mass peaks: 107.034651, 107.036325, 108.020526, 108.03983, 126.029639, 126.030708, 126.032847, 132.988956, 133.007792, 133.009241, 133.01098, 133.011849, 133.013298, 133.015617, 133.017936, 133.020544, 133.022863, 133.042286, 134.012432, 134.018587, 134.047025, 140.046256, 149.907376, 149.945874, 150.000005, 150.002435, 150.009724, 150.012154, 150.014584, 150.015625, 150.017361, 150.020485, 150.021874, 150.02361, 150.024304, 150.026387, 150.028123, 150.029512, 150.030206, 150.032289, 150.032984, 150.036109, 150.03715, 150.038886, 150.041664, 150.044442, 150.047567, 150.049304, 150.050693, 150.051734, 150.05486, 150.055902, 150.056944, 150.057638, 150.059722, 150.061111, 150.063195, 150.064931, 150.066321, 150.068405, 150.070141, 150.071531, 150.073615, 150.084035, 150.137894, 151.035841, 151.038997, 151.042154, 151.044959, 152.042057, 152.045954, 152.048079, 186.014197, 186.01851, 186.022345, 188.015524, 189.018992, 194.908352, 194.977774, 194.992177, 195.00298, 195.006582, 195.007611, 195.009669, 195.011727, 195.014299, 195.01893, 195.020988, 195.023046, 195.02459, 195.027163, 195.03025, 195.033338, 195.036425, 195.037455, 195.042086, 195.04363, 195.046203, 195.050321, 195.054438, 195.05907, 195.063188, 195.065247, 195.069879, 195.071423, 195.072453, 195.073997, 195.077086, 195.081719, 195.086867, 195.089956, 195.092015, 195.097678, 195.11261, 195.19296, 196.042238, 196.046905, 196.049498, 196.050536, 196.053647, 196.057797, 206.081763, 219.03217, 229.979085, 235.018822, 240.072776, 248.018441, 248.969435, 249.966224, 257.974174, 263.038055, 267.120565, 280.859882, 290.969127, 291.078871, 292.932271, 294.974685, 295.931282, 301.000744, 301.016531, 301.039226, 301.047121, 301.053042, 301.058964, 301.064885, 301.066859, 301.075742, 301.078703, 301.082651, 301.091534, 301.09647, 301.099431, 301.108315, 301.116213, 301.120162, 301.128059, 301.139907, 301.14978, 301.152742, 301.182366, 301.364152, 302.079056, 302.087984, 302.093936, 302.098896, 302.101872, 302.10584, 303.098361, 303.113316, 321.040132, 322.0434, 323.064543, 323.073319, 323.082097, 324.069607, 324.07622, 329.047542, 330.051221, 333.075038, 337.067005, 338.071219, 339.064593, 346.088907, 346.099855, 346.109587, 347.09586, 347.103191, 348.070406, 349.118067, 349.994736, 356.045895, 359.048859, 366.037616, 366.049524, 367.045242, 369.078375, 370.081105, 373.161601, 379.122321, 385.0428, 391.1089, 391.120591, 392.111836, 399.057861, 399.09401, 400.018984, 401.015444, 408.010441, 409.024425, 414.092582, 415.067022, 417.151778, 418.170969, 420.191294, 426.021747, 435.025041, 438.11851, 440.152664, 445.028961, 452.124191, 452.140538, 452.15507, 452.185952, 453.143041, 453.157621, 454.148881, 473.094763, 475.125113, 480.08261, 480.096522, 489.119535, 490.087656, 490.114305, 497.148781, 497.159252, 498.153452, 505.942359, 506.058482, 514.067286, 520.127592, 522.94939, 523.198011, 536.093171, 550.946194, 551.068376, 569.219231, 603.189128, 603.203122, 603.211519, 604.181146, 604.195175, 621.34494, 622.018507, 623.022098, 623.139636, 626.174766, 640.170768, 641.135809, 641.163414, 647.025005, 649.203993, 657.110266, 671.175664, 675.261238, 701.155167, 754.238722, 754.25829, 754.270031, 754.743815, 755.19452, 755.241574, 773.181202, 774.189523, 800.253668, 801.251148, 830.262866, 830.769321, 905.789524, 905.980119, 906.28932, 907.290155, 925.236075, 927.270579, 950.797635, 951.301887, 952.306041, 973.272466, 1003.322122, 1006.976678, 1057.341018, 1058.342061, 1078.845951, 1101.842427, 1102.353947, 1103.357284, 1105.965432, 1106.959788, 1134.329778, 1166.993939, 1177.366194, 1206.962121, 1207.390029, 1209.397892, 1253.400859, 1254.407509, 1266.982865, 1359.445759, 1366.97704, 1404.4447, 1466.966411,
Processing time: 0:00:01.131742
Queried mass list: ['106.028', '112.986', '116.072', '126.029', '129.019', '132.031', '139.007', '148.952', '151.026']

Queried mass	Num. matched formulas	Num. matched fragments
106.028376 (link to fragments)	3	6
112.985648 (link to fragments)	1	2
116.071594 (link to fragments)	1	1
126.02857 (link to fragments)	1	5
129.019236 (link to fragments)	1	1
132.031316 (link to fragments)	2	6
139.006887 (link to fragments)	2	5
148.952461 (link to fragments)	1	1
151.025672 (link to fragments)	1	1