L-Glutamic acid; LC-ESI-ITFT; MS; NEG

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KNA00495

Outputs for L-Glutamic acid; LC-ESI-ITFT; MS; NEG

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00495
Synonyms: L-Glutamate, L-Glutamic acid, L-Glutaminic acid
Total mass: 147.1289
Formula: H9 C5 O4 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: 151.101792,153.416747,155.975042,159.450331,163.393308,168.027466,171.969375,174.0485,178.976524,183.391647,187.017126,190.00973,193.009376,195.157414,199.964685,205.425468,207.972131,210.064535,212.972768,215.239095,223.810032,225.903929,227.983117,232.046117,234.686313,237.083274,245.009428,247.980072,256.014252,258.977546,263.336525,265.994127,270.660887,273.058359,280.255263,282.732223,285.016579,287.129157,289.526676,293.090522,297.124635,302.019549,304.433697,307.316142,310.061192,313.108894,317.056512,319.977734,322.138414,325.974849,327.997925,330.052354,332.158169,335.102085,337.626563,340.023257,342.061561,344.126692,347.017683,349.061383,351.077202,354.992191,357.345386,360.09616,363.108783,366.340793,369.048905,371.086577,373.141173,376.062929,381.072586,383.571035,386.075503,391.070908,393.148089,398.100198,400.171695,403.102122,406.023118,409.115087,412.112869,415.092586,419.146878,421.983804,426.966939,439.078191,442.264271,447.150787,454.436095,457.116405,461.046859,463.135618,468.480382,471.065809,475.062506,492.152158,500.062075,504.879751,512.156828,518.218941,521.1061,524.278176,533.199361,540.2018,543.085924,546.248794,549.125625,551.232164,558.162777,561.172035,563.229627,568.242925,572.137438,576.202761,578.220166,584.210956,587.210407,590.186964,594.241214,596.497277,603.060401,622.247182,639.388085,644.223202,654.25858,661.196363,667.247526,671.333379,678.972908,689.232408,693.122078,695.292247,699.373153,703.225775,709.278754,717.272067,721.357922,723.949115,726.543196,728.87977,737.321134,743.835952,746.225699,748.356162,752.285778,758.88188,761.300904,765.797285,770.454815,779.170431,783.283443,787.174517,790.342712,797.340434,804.319443,808.451025,816.510438,818.887128,832.404892,839.52397,846.390402,854.661641,860.449943,863.874436,867.869817,874.43267,877.887001,882.906232,889.380076,891.916086,905.372484,918.367564,920.458578,924.863986,933.975103,937.392621,947.99556,963.12986,965.438031,972.435466,979.457129,993.476104,1005.914985,1008.003774,1014.816081,1021.524944,1024.963244,1027.360484,1038.967429,1043.506112,1049.563412,1052.492505,1067.007386,1075.433008,1078.497903,1081.031784,1084.862882,1095.053756,1105.965432,1109.566761,1121.363208,1126.510165,1131.534416,1136.310067,1140.533619,1155.050449,1165.992843,1168.577245,1178.733606,1182.596571,1186.007698,1189.139152,1191.559997,1196.619407,1200.539265,1205.489955,1214.05181,1218.596005,1224.662336,1228.078313,1233.969956,1242.605814,1257.603248,1262.546929,1265.978062,1269.038766,1274.50558,1282.963258,1287.58588,1295.927486,1306.953119,1315.628187,1327.619311,1330.182009,1333.975554,1341.527939,1343.66564,1347.096605,1353.951012,1365.974981,1371.706317,1382.966749,1389.54892,1392.675968,1404.872387,1407.592262,1417.69352,1428.576954,1433.968261,1448.668805,1453.671605,1456.597506,1463.691784,1465.969084,1487.540417,1490.841068,
Replicated queried mass peaks: 101.388215, 102.038237, 102.051091, 102.052065, 102.052649, 102.053428, 102.054402, 102.055181, 102.056155, 102.059272, 102.063753, 102.074078, 102.553112, 103.05944, 103.628097, 103.920096, 104.927907, 104.987837, 105.797115, 105.841743, 106.056847, 109.017289, 109.707643, 110.566502, 110.68169, 111.035188, 112.866392, 112.95661, 112.983832, 112.985648, 112.987463, 113.944235, 114.354605, 114.951389, 115.999568, 123.503709, 123.951717, 128.032612, 128.035075, 128.036718, 128.037265, 129.03862, 131.004059, 131.056199, 131.064987, 131.074059, 131.07491, 131.076327, 131.078028, 131.080013, 131.080864, 131.082281, 131.08455, 131.087102, 131.089654, 131.090505, 131.091639, 131.09249, 131.093624, 131.094475, 131.095325, 131.09646, 131.097027, 131.099296, 131.100146, 131.107237, 131.108655, 131.160858, 132.079196, 132.083211, 132.084071, 132.085505, 132.0878, 134.156167, 134.262211, 136.840603, 137.501375, 138.694061, 139.6351, 139.891391, 145.897474, 145.924446, 145.953092, 145.986411, 146.014741, 146.024075, 146.025076, 146.026409, 146.027743, 146.029743, 146.031744, 146.033077, 146.035744, 146.037078, 146.038412, 146.040079, 146.042747, 146.043747, 146.045414, 146.048082, 146.050083, 146.051083, 146.053751, 146.055085, 146.057419, 146.058753, 146.059754, 146.060754, 146.061755, 146.062755, 146.064423, 146.069092, 146.069759, 146.074429, 146.076097, 146.078098, 146.137824, 147.04588, 147.048912, 147.050597, 147.051608, 148.049515, 148.952117, 152.534169, 152.741525, 157.061593, 159.684534, 164.561223, 170.003475, 170.032794, 172.134381, 173.014141, 173.050693, 173.968272, 174.068891, 174.070193, 174.07757, 174.079305, 174.081475, 174.084947, 174.086249, 174.088418, 174.09189, 174.094494, 174.095796, 174.099268, 174.110987, 174.12835, 174.208689, 175.084722, 175.087786, 175.091288, 175.208656, 178.995525, 179.977733, 184.530072, 187.030173, 187.829114, 188.014062, 193.346202, 194.665923, 196.288282, 200.972303, 201.177005, 205.977282, 206.976727, 208.15698, 208.97245, 209.110066, 209.778944, 210.069137, 210.980387, 211.019763, 212.061429, 214.354685, 214.988146, 216.008979, 216.68474, 224.9607, 225.982852, 228.007182, 236.014435, 238.079555, 245.04566, 245.970117, 248.650595, 256.985962, 260.037479, 264.663169, 267.97051, 272.020447, 272.048421, 272.050964, 272.055203, 272.064529, 272.100989, 273.924832, 274.01222, 274.050787, 274.060215, 274.879796, 281.036041, 285.091139, 285.949772, 286.972954, 287.929626, 288.080144, 290.822898, 293.098106, 294.036055, 294.101795, 299.045942, 302.092944, 305.833446, 308.120795, 310.995784, 311.16786, 313.979512, 314.043641, 314.976243, 315.068146, 315.079769, 317.065045, 317.090647, 317.977937, 318.059369, 319.06053, 321.041219, 321.111871, 321.12383, 321.131441, 321.141226, 321.149925, 321.155362, 321.158624, 321.16841, 321.24128, 322.143876, 322.152615, 323.144644, 323.149034, 326.083845, 328.072009, 329.077992, 330.06255, 330.135069, 331.044706, 331.05381, 331.065191, 332.054115, 333.179573, 337.014399, 339.088186, 343.070185, 343.111007, 343.123015, 343.132622, 345.09844, 345.127511, 346.009853, 346.054849, 346.102288, 348.031149, 348.842168, 349.018262, 349.070008, 349.151345, 349.15381, 349.163671, 349.1723, 349.183395, 349.193257, 349.200654, 349.20312, 349.214216, 349.243808, 349.296837, 349.525123, 350.170466, 350.175418, 350.18037, 350.18656, 350.196465, 351.186595, 351.191568, 352.077312, 352.563336, 355.025048, 356.114447, 358.032997, 358.104684, 359.087423, 359.096423, 365.056535, 365.105298, 368.105066, 369.111868, 371.144658, 371.164922, 371.175731, 372.168035, 372.654128, 373.064924, 374.052518, 374.062086, 375.049528, 375.059134, 375.070112, 377.055543, 377.061076, 377.397445, 382.071003, 382.231905, 383.053519, 383.067683, 383.079015, 384.071112, 385.051365, 385.064213, 387.049057, 387.138268, 391.104516, 391.237529, 391.998905, 394.083494, 401.106491, 402.094833, 404.021127, 404.105526, 405.023347, 407.629225, 408.027569, 410.114365, 411.096834, 411.111008, 412.823483, 413.094601, 413.107292, 415.124544, 415.786897, 447.159719, 448.099093, 449.107955, 464.1107, 471.108308, 476.061777, 477.062237, 501.069237, 505.501882, 506.140223, 513.803139, 514.133354, 518.227857, 519.221123, 520.194832, 521.198258, 522.202335, 522.342145, 534.18468, 546.260854, 547.15202, 547.263266, 548.236911, 549.147506, 549.166956, 549.239906, 550.150564, 550.157877, 561.24739, 562.225864, 563.108428, 569.247456, 577.189182, 578.175512, 578.199152, 579.20124, 580.129371, 580.145211, 580.198015, 585.209997, 586.192834, 586.206241, 587.34216, 588.187509, 588.200984, 588.211765, 596.164375, 640.381971, 690.636178, 693.311734, 694.316485, 696.20065, 696.294365, 700.377106, 723.33125, 724.243615, 724.335684, 724.73362, 725.246261, 725.33483, 729.173564, 730.839269, 745.359913, 748.855357, 750.289931, 753.288642, 779.820079, 804.362542, 805.816986, 818.387075, 819.38764, 832.908767, 833.408554, 840.365613, 841.088688, 846.427621, 846.930313, 847.428794, 860.94609, 864.368747, 868.411074, 874.471754, 875.474167, 878.354043, 878.39339, 892.419553, 892.913364, 905.928601, 905.974967, 906.438824, 906.933998, 919.95756, 921.456559, 938.309661, 938.401982, 948.497584, 964.203713, 966.441952, 967.441754, 979.868443, 979.96117, 980.4656, 993.979166, 994.423361, 994.482609, 1005.969235, 1006.970641, 1007.508155, 1022.018596, 1022.524962, 1023.408915, 1023.52645, 1050.566294, 1051.570614, 1052.989411, 1053.486669, 1067.508018, 1079.488942, 1081.528879, 1095.553705, 1096.053996, 1106.966746, 1127.010368, 1141.538533, 1166.993939, 1169.083073, 1169.574115, 1183.057712, 1183.103841, 1183.542201, 1183.596052, 1192.843242, 1197.62889, 1198.051844, 1198.623972, 1205.95664, 1225.658878, 1225.999439, 1228.590722, 1228.883671, 1234.977882, 1263.632509, 1266.982865, 1267.980333, 1270.646015, 1271.005499, 1316.620477, 1317.604855, 1317.631964, 1344.680509, 1366.97704, 1367.024785, 1367.980202, 1418.641983, 1466.94518, 1466.987641, 1487.605455, 1491.722371,
Processing time: 0:00:01.138185

Results for the quried mass "130.558735"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O4	0.460	6	0	C1,C2,C3,C4,C5,O7,O8,O9,O10
C5O3N1	0.437	8	0	C1,C2,C3,C4,C5,N6,O8,O9,O10
C5O3N1	0.437	8	0	C1,C2,C3,C4,C5,N6,O7,O9,O10
C5O3N1	0.437	8	0	C1,C2,C3,C4,C5,N6,O7,O8,O10
C5O3N1	0.437	8	0	C1,C2,C3,C4,C5,N6,O7,O8,O9