DOPA; LC-ESI-ITFT; MS; POS

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

Database: Graduate School of Information Science, NAIST
Entry ID: KNA00173
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

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: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 200.079676,210.075326,222.111688,268.102546,284.016287,286.105336,303.098233,306.201714,308.5817,314.09017,330.057635,348.069074,350.121578,391.282894,395.142987,419.151054,435.147156,454.153607,466.15376,481.167718,499.116803,567.189834,586.193379,588.349282,613.157071,631.161253,764.207335,896.25112,
Replicated queried mass peaks: 135.044117, 136.03424, 136.054621, 136.05642, 136.059418, 136.060017, 136.061516, 136.063614, 136.064514, 136.066313, 136.067212, 136.069011, 136.0891, 137.045596, 137.064992, 139.038624, 151.874319, 151.958847, 151.996005, 152.024325, 152.031052, 152.033885, 152.034947, 152.038842, 152.039905, 152.042029, 152.044154, 152.046279, 152.048404, 152.050528, 152.051945, 152.05407, 152.054778, 152.056549, 152.059028, 152.060091, 152.062216, 152.063278, 152.064341, 152.065404, 152.067175, 152.069654, 152.070717, 152.072842, 152.074259, 152.078155, 152.079218, 152.082052, 152.086303, 152.089137, 152.117838, 152.1547, 152.239107, 152.601651, 153.040204, 153.053436, 153.055582, 153.056655, 153.059516, 153.061662, 153.062735, 153.072751, 172.97669, 182.05236, 182.08113, 182.984796, 194.117984, 196.060913, 197.804905, 197.930028, 197.985793, 198.027369, 198.03737, 198.043687, 198.048951, 198.051057, 198.054216, 198.057375, 198.058428, 198.060534, 198.063693, 198.066852, 198.068958, 198.07159, 198.075803, 198.079489, 198.081068, 198.084228, 198.085808, 198.087387, 198.088967, 198.090547, 198.092127, 198.093707, 198.095287, 198.100026, 198.102133, 198.107926, 198.10898, 198.124255, 198.166401, 198.221739, 198.347257, 198.886544, 199.0721, 199.074753, 199.078997, 199.082181, 199.083773, 199.179311, 224.127351, 269.086994, 284.077775, 284.083202, 284.092246, 284.099482, 284.104909, 284.107622, 284.11305, 284.116668, 284.181808, 285.095216, 285.101581, 287.110725, 287.1144, 303.106207, 303.112188, 304.10242, 304.10843, 307.083094, 307.583792, 308.079586, 349.07212, 349.11524, 349.125097, 349.13249, 349.136187, 350.127766, 392.284786, 396.146347, 420.135037, 436.150183, 482.168074, 483.171552, 568.191334, 614.159174, 764.255221,
Processing time: 0:00:01.505344
Queried mass list: ['110.035', '119.035', '123.044', '128.045', '135.030', '137.059', '149.024', '151.514', '158.003', '163.133', '167.056', '171.149', '174.128', '181.049', '187.127', '193.068', '195.121', '197.270']

Queried mass	Num. matched formulas	Num. matched fragments
110.03457 (link to fragments)	2	3
119.034826 (link to fragments)	2	3
123.043741 (link to fragments)	2	3
128.045383 (link to fragments)	1	2
135.030186 (link to fragments)	2	2
137.058627 (link to fragments)	2	2
149.023935 (link to fragments)	2	3
151.514362 (link to fragments)	2	3
158.002552 (link to fragments)	1	2
163.132671 (link to fragments)	2	3
167.056156 (link to fragments)	2	3
171.149125 (link to fragments)	3	6
174.127584 (link to fragments)	3	8
181.049244 (link to fragments)	3	8
187.126544 (link to fragments)	1	1
193.068373 (link to fragments)	1	1
195.121081 (link to fragments)	1	1
197.270009 (link to fragments)	1	1