Mercurial > repos > fgiacomoni > golm_ws_lib_search
comparison test-data/input01_peakspectra_test.msp @ 0:e3d43b8c987b draft
Init repository with last tool-bank-golm-lib_search master version
| author | fgiacomoni |
|---|---|
| date | Mon, 05 Dec 2016 08:32:04 -0500 |
| parents | |
| children |
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| -1:000000000000 | 0:e3d43b8c987b |
|---|---|
| 1 Name: Unknown 1 | |
| 2 DB.idx: -9 | |
| 3 rt: 24.53 | |
| 4 Class: Unknown | |
| 5 rt.sd: 0.01 | |
| 6 Num Peaks: 19 | |
| 7 73.0465 57.7027030289; 74.0481 4.8855062564; 75.0319 4.847663826; 100.0573 2.6149715972; 103.0227 3.004109143; | |
| 8 116.0884 100; 117.0905 10.6040602224; 118.0869 3.7054420297; 128.0526 1.8423908372; 131.0359 1.5802234196; | |
| 9 133.0438 1.5449256807; 147.0666 17.8266754868; 148.066 3.4863501617; 149.0551 2.6348672192; 190.1069 5.0634427805; | |
| 10 191.1063 1.257158541; 192.1023 0.4508018332; 207.0333 2.4725309728; 218.1028 2.1301461153; | |
| 11 | |
| 12 Name: Histidine | |
| 13 DB.idx: -1 | |
| 14 rt: 10.58 | |
| 15 Class: Unknown | |
| 16 rt.sd: 0.003 | |
| 17 Num Peaks: 32 | |
| 18 39.022 16; 41.038 38; 41.039 12; 42.034 11; 43.041 7; | |
| 19 54.034 169; 55.042 104; 56.049 999; 56.05 9; 66.032 166; | |
| 20 66.033 34; 67.04 16; 68.048 86; 68.049 13; 69.044 41; | |
| 21 81.044 469; 82.052 695; 83.059 999; 93.044 606; 95.06 112; | |
| 22 110.07 999; 111.054 16; 112.086 2; 138.065 2; 156.074 999; | |
| 23 | |
| 24 Name: L-Alanine | |
| 25 DB.idx: -1 | |
| 26 rt: 10.58 | |
| 27 Class: Unknown | |
| 28 rt.sd: 0.003 | |
| 29 Num Peaks: 32 | |
| 30 73.0465 826983.38; 74.0481 70018.08; 75.0319 69475.73; 100.0573 37477.24; 103.0227 43054.28; | |
| 31 116.0884 1433179.62; 117.0905 151975.23; 118.0869 53105.64; 128.0526 26404.77; 131.0359 22647.44; | |
| 32 133.0438 22141.56; 147.0666 255488.28; 48.066 49965.66; 149.0551 37762.38; 190.1069 72568.23; | |
| 33 191.1063 18017.34; 192.1023 6460.8; 207.0333 35435.81; 218.1028 30528.82; | |
| 34 | |
| 35 Name: L-Leucine | |
| 36 DB.idx: -1 | |
| 37 rt: 10.58 | |
| 38 Class: Unknown | |
| 39 rt.sd: 0.003 | |
| 40 Num Peaks: 32 | |
| 41 59.0317 111211.31; 73.0465 1904156.25; 73.0887 176802.89; 74.0478 172098.67; 75.034 126044.58; | |
| 42 100.0578 148105.59; 102.0732 557823.12; 103.0737 58556.5; 116.0893 113683.96; 131.0348 50693.96; | |
| 43 133.0477 79174.27; 142.1041 51780.19; 147.0656 486292; 148.0669 84540.63; 149.0594 53340.05; | |
| 44 158.1362 4905104; 159.1367 769335.25; 159.1838 164298.34; 160.1347 213437.45; 170.0993 56866.69; | |
| 45 218.1033 189619.22; 232.155 215419.53; 233.1535 69567.91; 260.1492 87687.36; |