Processed databases
Atom-Mass pairs
Outputs for L-Methionine; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00077
Synonyms: L-Methionine, Methionine, L-2-Amino-4methylthiobutyric acid
Total mass: 149.2109
Formula: H11 C5 S1 O2 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: 158.002552,163.132671,171.149125,174.127584,179.0632,182.984796,187.12606,194.117473,199.180373,203.222581,270.154858,279.157671,282.180892,288.179628,300.216512,308.232851,370.256959,391.282894,406.144635,414.282608,418.110768,528.367912,540.333548,
Replicated queried mass peaks: 102.054971, 104.052815, 121.022308, 121.041673, 121.052993, 121.055509, 121.056012, 121.057522, 121.058528, 121.059283, 121.060541, 121.062805, 121.064818, 121.067334, 121.069095, 121.070857, 121.072115, 121.073121, 121.076644, 121.077651, 121.087969, 121.107351, 121.134291, 122.066093, 122.068131, 133.031952, 133.071956, 134.035448, 135.027815, 137.935988, 138.006699, 138.039472, 138.063369, 138.067046, 138.070111, 138.072869, 138.073788, 138.074401, 138.07532, 138.07624, 138.076852, 138.078691, 138.079917, 138.080837, 138.081756, 138.083901, 138.086047, 138.088805, 138.091257, 138.094322, 138.096775, 138.098614, 138.100453, 138.101679, 138.102292, 138.102905, 138.104745, 138.105971, 138.107197, 138.10965, 138.112716, 138.116088, 138.119767, 138.143379, 138.1762, 138.247096, 138.260914, 138.562956, 139.088494, 139.091903, 139.094381, 139.09748, 140.097513, 141.95849, 149.526546, 149.882211, 149.962306, 149.999776, 150.026498, 150.037259, 150.039342, 150.040036, 150.041424, 150.043855, 150.044896, 150.046285, 150.047326, 150.049756, 150.050798, 150.052187, 150.055311, 150.058436, 150.061561, 150.064339, 150.066422, 150.068506, 150.069895, 150.073367, 150.074756, 150.076145, 150.078923, 150.082396, 150.090384, 150.117131, 150.154311, 150.234624, 150.59282, 151.057797, 151.061304, 152.05407, 152.061862, 153.057013, 172.152025, 172.97669, 392.286254, 529.371839, 530.371708, 541.336099,
Processing time: 0:00:01.147576
Results for the quried mass "120.995404"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5S1O1N1 | 0.121 | 1 | 0 | C1,C2,C3,C4,C5,N6,O8,S9 |
| C5S1O1N1 | 0.121 | 1 | 0 | C1,C2,C3,C4,C5,N6,O7,S9 |