DOPA; LC-ESI-ITFT; MS; NEG

Computational Annotation of MS Peaks (CAMP)

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Processed databases
Atom-Mass pairs

Submission id: KNA00576

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00576
Synonyms: 3,4-Dihydroxy-L-phenylalanine, L-Dopa, 3-Hydroxy-L-tyrosine, L-beta-(3,4-Dihydroxyphenyl)alanine, Levodopa, Dihydroxy-L-phenylalanine, DOPA
Total mass: 197.1875
Formula: H11 C9 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: 203.049089,208.061445,210.087874,213.037713,218.043122,224.86612,228.098657,232.037829,242.06665,248.009284,254.077796,259.056766,264.048921,267.073216,272.088771,275.017262,280.860416,283.081584,288.065005,294.029023,298.870761,301.083267,304.060343,306.076742,310.053591,318.061114,328.036793,330.060999,336.076142,338.952127,341.952384,345.079837,347.101534,349.117632,363.003783,369.092661,378.89741,383.088457,386.033465,389.172069,392.72379,395.135997,401.030128,405.129135,415.111254,417.165757,419.182037,426.021226,431.076263,433.119412,446.041165,449.035494,452.139989,455.056632,463.093615,479.095788,481.156956,484.097608,492.046332,497.106255,499.162636,504.939125,513.952153,519.086387,522.951,525.115422,529.947752,542.905965,545.130649,547.957442,550.945517,553.141192,558.040034,565.107464,584.183567,587.043048,590.199791,596.037166,598.101687,603.191195,610.882518,613.139437,622.044135,628.147298,630.180735,632.209045,635.120206,643.111732,647.049105,649.159465,665.067075,675.111275,677.227311,693.121256,695.229079,702.010998,711.022718,715.098572,727.019867,735.236724,740.195831,754.241755,762.245418,780.197825,782.252269,794.108055,799.197364,801.267364,826.217924,828.276749,845.222947,847.278704,890.196444,892.302713,912.23497,931.251342,950.25399,958.212109,977.259048,996.273321,998.326177,1083.357834,1105.971207,1265.97678,1365.983177,
Replicated queried mass peaks: 107.036611, 107.050421, 108.020604, 108.021876, 109.029627, 109.031348, 110.033008, 122.033553, 122.03559, 122.037628, 122.039666, 122.041704, 123.040697, 123.045338, 124.048352, 128.035194, 133.013427, 133.015746, 133.018064, 134.019011, 134.037479, 134.039239, 134.042757, 134.045103, 134.047448, 134.049501, 134.05214, 134.061231, 135.017958, 135.040488, 135.04286, 135.045232, 135.047604, 135.049976, 135.051459, 135.052941, 135.072514, 136.048501, 137.024195, 139.007027, 140.046398, 150.010224, 150.029665, 150.032789, 150.033831, 150.03522, 150.036609, 150.039387, 150.042164, 150.044942, 150.04772, 150.049457, 150.051193, 150.055707, 150.074115, 150.980251, 151.026177, 151.039152, 151.045465, 153.066748, 166.036971, 179.031497, 179.035118, 179.038739, 182.031736, 188.015779, 192.990906, 195.9176, 195.997412, 196.013483, 196.019187, 196.023335, 196.026446, 196.030594, 196.032669, 196.03578, 196.036817, 196.039929, 196.042522, 196.045115, 196.047189, 196.048745, 196.050819, 196.052894, 196.054968, 196.057043, 196.061192, 196.065342, 196.069491, 196.072085, 196.07416, 196.076234, 196.078309, 196.081422, 196.083497, 196.085572, 196.087128, 196.09076, 196.093872, 196.096985, 196.103211, 196.108918, 196.118777, 196.121891, 196.123966, 196.204423, 196.300517, 197.056138, 197.060842, 197.0645, 197.068682, 197.072863, 198.06763, 199.068886, 210.996351, 211.000984, 212.004598, 219.046613, 234.03463, 242.078035, 273.092113, 281.837608, 282.002162, 282.063012, 282.066592, 282.070172, 282.073752, 282.077333, 282.084493, 282.091654, 282.098815, 282.103291, 282.107767, 282.110453, 282.16686, 282.331703, 283.087883, 283.094182, 284.087589, 284.091208, 294.038549, 301.091163, 301.09906, 302.088604, 302.094556, 306.068648, 306.084835, 307.072645, 307.079762, 308.072396, 312.030005, 328.044651, 328.053631, 328.089557, 329.042614, 329.048253, 338.048474, 345.718976, 345.906081, 345.943763, 345.965646, 345.976588, 345.983883, 345.988746, 345.996042, 345.99969, 346.004554, 346.009418, 346.01793, 346.022794, 346.026442, 346.031307, 346.036171, 346.045901, 346.05563, 346.06536, 346.071442, 346.075091, 346.081173, 346.086038, 346.090904, 346.09577, 346.100636, 346.103069, 346.107935, 346.112801, 346.116451, 346.124967, 346.139567, 346.167552, 346.190673, 346.391558, 346.617002, 346.997707, 347.039232, 347.047783, 347.058776, 347.068549, 347.078322, 347.086873, 347.090538, 347.110086, 347.119861, 347.129636, 347.141856, 347.22252, 348.058929, 348.10678, 348.112916, 348.122733, 349.112703, 350.499571, 380.052409, 383.113958, 391.114262, 392.994482, 393.057782, 393.063671, 393.078394, 393.084284, 393.090174, 393.094591, 393.106371, 393.119624, 393.129933, 393.141714, 393.153497, 393.160861, 393.166752, 393.172644, 393.193265, 393.199158, 393.265454, 394.109616, 394.121442, 394.133268, 394.145095, 394.156922, 396.138089, 416.114952, 417.088498, 433.133036, 434.136184, 447.050225, 448.053753, 453.144312, 456.061493, 479.121545, 479.129471, 479.137397, 479.143341, 479.153249, 479.169102, 479.184956, 480.111794, 480.155523, 482.101522, 483.10504, 497.123008, 498.108699, 498.161212, 499.107859, 501.134291, 505.943866, 523.953353, 526.117166, 530.949493, 543.061345, 543.068518, 543.078082, 543.087646, 543.106776, 543.125907, 543.145038, 543.156996, 543.164171, 543.17613, 543.185697, 543.343589, 544.107709, 544.129291, 544.148476, 544.179653, 545.183555, 546.134773, 558.54347, 565.175997, 566.111323, 566.180039, 567.08214, 585.187888, 597.047416, 605.05114, 611.067978, 611.090809, 611.099371, 611.110788, 611.122205, 611.14504, 611.167876, 611.190713, 611.219261, 611.407731, 612.125283, 612.133867, 612.148174, 614.156114, 629.147877, 630.150848, 630.201657, 630.22557, 631.150228, 631.207151, 633.129044, 634.117419, 644.120495, 645.122346, 648.154434, 649.209465, 650.216952, 676.003649, 676.222866, 694.125594, 694.173968, 703.013596, 716.230737, 741.250861, 763.248352, 764.253267, 781.199282, 781.257038, 784.103237, 799.21017, 800.261299, 827.277844, 846.287099, 894.234561, 913.240459, 951.256487, 951.300833, 951.317463, 959.210391, 997.325734,
Processing time: 0:00:01.782122

Results for the quried mass "149.946027"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O3N1	0.165	4	0	C1,C3,C4,C5,C6,C8,C9,N10,O12,O13,O14
C7O3N1	0.165	4	0	C1,C2,C3,C5,C6,C7,C9,N10,O11,O13,O14
C8O2N1	0.208	8	0	C1,C2,C3,C4,C5,C6,C7,C8,N10,O11,O12