Processed databases
Atom-Mass pairs
Outputs for L-Valine; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00232
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: 120.089731,128.044836,135.029593,151.51401,154.059797,167.055748,171.148702,174.12715,182.984328,187.125577,194.116962,199.179842,222.111688,230.087079,269.135358,287.109806,303.014527,391.282894,436.339497,454.153607,508.361001,542.331901,605.202491,756.253297,
Replicated queried mass peaks: 117.960116, 118.019184, 118.021848, 118.044132, 118.063756, 118.065453, 118.066907, 118.067876, 118.069572, 118.070299, 118.071753, 118.074176, 118.075873, 118.0766, 118.077569, 118.078539, 118.079508, 118.080478, 118.081205, 118.081932, 118.082659, 118.084113, 118.086052, 118.087264, 118.088476, 118.08993, 118.091385, 118.092354, 118.094293, 118.095263, 118.09599, 118.09696, 118.097687, 118.098414, 118.099626, 118.100839, 118.102293, 118.10399, 118.104717, 118.105687, 118.108354, 118.128237, 118.150309, 118.152977, 118.21219, 118.219959, 118.458984, 119.089303, 119.091512, 136.061516, 136.063015, 151.872551, 151.958493, 151.962739, 151.994943, 152.023971, 152.02645, 152.028574, 152.02999, 152.032115, 152.033177, 152.036364, 152.03778, 152.039197, 152.041321, 152.042738, 152.044154, 152.045571, 152.046987, 152.048049, 152.049466, 152.050528, 152.051591, 152.053716, 152.054424, 152.056549, 152.05832, 152.059737, 152.062216, 152.063987, 152.065404, 152.067529, 152.068237, 152.069654, 152.071071, 152.072488, 152.074613, 152.07603, 152.080281, 152.082406, 152.083823, 152.08524, 152.089137, 152.117838, 152.150091, 152.154345, 152.240881, 152.601651, 153.040204, 153.053436, 153.059516, 153.061305, 224.127351, 270.138085, 303.089263, 303.098233, 303.100227, 303.106207, 303.111191, 303.115178, 303.122156, 303.197929, 304.10242, 304.10843, 391.288742, 392.286254, 455.157064, 509.362702, 757.255995,
Processing time: 0:00:00.365164
Results for the quried mass "110.03457"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2N1 | 0.056 | 4 | 0 | C1,C2,C3,C4,C5,N6,O7,O8 |