Processed databases
Atom-Mass pairs
Outputs for DOPA; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00284
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: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 200.079676,210.075901,222.112313,242.990493,245.075763,332.561263,391.282894,395.142987,414.231646,441.159953,487.145866,489.181068,542.064814,588.349282,634.366158,664.090042,666.121465,762.649482,861.184654,884.195569,907.201166,959.713628,982.728578,1094.200228,1327.228365,
Replicated queried mass peaks: 112.044557, 112.046797, 112.048589, 112.050382, 112.051726, 112.052174, 112.053742, 112.070996, 113.034053, 113.047219, 113.05335, 113.054485, 123.055085, 124.058233, 163.132671, 181.049704, 182.984796, 196.060913, 197.799125, 197.930554, 197.983688, 198.027369, 198.050004, 198.051583, 198.054216, 198.056322, 198.057375, 198.058428, 198.060534, 198.06264, 198.064746, 198.065799, 198.067905, 198.07159, 198.075803, 198.079489, 198.080542, 198.084228, 198.086861, 198.088967, 198.092654, 198.093707, 198.09476, 198.09634, 198.100026, 198.10266, 198.124255, 198.168509, 198.221739, 198.307163, 198.353589, 198.886544, 199.073161, 199.074753, 199.078997, 199.082181, 199.083242, 199.179311, 224.127985, 243.713994, 243.893756, 243.966436, 244.026187, 244.044189, 244.04995, 244.058592, 244.061472, 244.062913, 244.065793, 244.067234, 244.070115, 244.071555, 244.074436, 244.077317, 244.078758, 244.081639, 244.086681, 244.092443, 244.098926, 244.103969, 244.107571, 244.109732, 244.114775, 244.116936, 244.118377, 244.120538, 244.124861, 244.129184, 244.158726, 244.219269, 244.292095, 244.408972, 244.472496, 245.090258, 245.095331, 245.101854, 245.201906, 246.095661, 333.062421, 333.562411, 395.150405, 396.146347, 442.162777, 487.162114, 487.178362, 487.190549, 487.194611, 487.208829, 488.18123, 635.369295, 664.115903, 664.135299, 664.144998, 665.11917, 763.15098, 861.686096, 862.187976, 908.203272, 960.725266, 1094.706314, 1095.205906, 1328.23357, 1329.230764,
Processing time: 0:00:02.228910
Results for the quried mass "182.05236"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C9O3N1 | 0.144 | 12 | 2 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O12,O13,O14 |
| C9O3N1 | 0.144 | 12 | 2 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O11,O13,O14 |
| C9O3N1 | 0.144 | 12 | 1 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12,O14 |
| C9O3N1 | 0.144 | 12 | 2 | C1,C2,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12,O13 |
| C8O4N1 | 0.101 | 8 | 0 | C2,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12,O13,O14 |
| C8O4N1 | 0.101 | 8 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,N10,O11,O12,O13,O14 |
| C8O4N1 | 0.101 | 8 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N10,O11,O12,O13,O14 |
| C9O4 | 0.121 | 10 | 1 | C1,C2,C3,C4,C5,C6,C7,C8,C9,O11,O12,O13,O14 |