Processed databases
Atom-Mass pairs
Outputs for L-Valine; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00025
Synonyms: L-Valine, 2-Amino-3-methylbutyric acid
Total mass: 117.1459
Formula: H11 C5 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: 120.027364,133.072246,135.583435,138.038246,141.958171,145.097007,148.042615,155.053504,163.132671,171.149125,174.127584,182.984796,187.125577,194.117473,199.179842,222.111688,224.127985,269.062817,279.157671,285.056123,307.038376,350.251546,391.284356,394.277967,420.091122,436.341219,508.363166,526.318429,
Replicated queried mass peaks: 117.961568, 118.019184, 118.021848, 118.030325, 118.031051, 118.032989, 118.034927, 118.044616, 118.063756, 118.065453, 118.067633, 118.06836, 118.070541, 118.073449, 118.074903, 118.075631, 118.076115, 118.077327, 118.078054, 118.079023, 118.079751, 118.080478, 118.081205, 118.082174, 118.084113, 118.086294, 118.088234, 118.08993, 118.092354, 118.093809, 118.094778, 118.095748, 118.096475, 118.097202, 118.098899, 118.099626, 118.101566, 118.10302, 118.104475, 118.107384, 118.108597, 118.111263, 118.127752, 118.150551, 118.15322, 118.210976, 118.459228, 119.034826, 119.082921, 119.087339, 119.089303, 119.091266, 120.08998, 134.044828, 135.035224, 135.888709, 135.959649, 135.991096, 136.014763, 136.020456, 136.026748, 136.028546, 136.029445, 136.030344, 136.031543, 136.032742, 136.033641, 136.03454, 136.035439, 136.036338, 136.037537, 136.038436, 136.039935, 136.042632, 136.04503, 136.047128, 136.048327, 136.050125, 136.051924, 136.053123, 136.054322, 136.05612, 136.057919, 136.07021, 136.093898, 136.125391, 136.196816, 136.503864, 137.039232, 137.041656, 137.045596, 138.046211, 139.049463, 149.022904, 172.976261, 270.065138, 271.057054, 280.21078, 392.286254, 509.364873, 527.321092,
Processing time: 0:00:00.375254
Results for the quried mass "117.714878"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2N1 | 0.439 | 12 | 1 | C1,C2,C3,C4,C5,N6,O7,O8 |