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view test-data/input01_peakspectra_test.msp @ 0:e3d43b8c987b draft

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Init repository with last tool-bank-golm-lib_search master version
author fgiacomoni
date Mon, 05 Dec 2016 08:32:04 -0500
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Name: Unknown 1
DB.idx: -9
rt: 24.53
Class: Unknown
rt.sd: 0.01
Num Peaks: 19
 73.0465  57.7027030289;    74.0481  4.8855062564;    75.0319  4.847663826;    100.0573  2.6149715972;   103.0227 3.004109143;   
 116.0884 100;   117.0905 10.6040602224;   118.0869 3.7054420297;   128.0526 1.8423908372;   131.0359 1.5802234196;   
 133.0438 1.5449256807;   147.0666 17.8266754868;   148.066 3.4863501617;   149.0551 2.6348672192;   190.1069 5.0634427805;   
 191.1063 1.257158541;   192.1023 0.4508018332;   207.0333 2.4725309728;   218.1028 2.1301461153;  

Name: Histidine
DB.idx: -1
rt: 10.58
Class: Unknown
rt.sd: 0.003
Num Peaks: 32
39.022 16;  41.038 38;  41.039 12;  42.034 11;  43.041 7;  
54.034 169;  55.042 104;  56.049 999;  56.05 9;  66.032 166;  
66.033 34;  67.04 16;  68.048 86;  68.049 13;  69.044 41;  
81.044 469;  82.052 695;  83.059 999;  93.044 606;  95.06 112;  
110.07 999;  111.054 16;  112.086 2;  138.065 2;  156.074 999;  

Name: L-Alanine
DB.idx: -1
rt: 10.58
Class: Unknown
rt.sd: 0.003
Num Peaks: 32
73.0465  826983.38; 74.0481  70018.08; 75.0319  69475.73; 100.0573  37477.24; 103.0227  43054.28;
116.0884  1433179.62; 117.0905  151975.23; 118.0869  53105.64; 128.0526  26404.77; 131.0359  22647.44;
133.0438  22141.56; 147.0666  255488.28; 48.066  49965.66; 149.0551  37762.38; 190.1069  72568.23;
191.1063  18017.34; 192.1023  6460.8; 207.0333  35435.81; 218.1028  30528.82;

Name: L-Leucine
DB.idx: -1
rt: 10.58
Class: Unknown
rt.sd: 0.003
Num Peaks: 32
59.0317  111211.31; 73.0465  1904156.25; 73.0887  176802.89; 74.0478  172098.67; 75.034  126044.58; 
100.0578  148105.59; 102.0732  557823.12; 103.0737  58556.5; 116.0893  113683.96; 131.0348  50693.96;
133.0477  79174.27; 142.1041  51780.19; 147.0656  486292; 148.0669  84540.63; 149.0594  53340.05; 
158.1362  4905104; 159.1367  769335.25; 159.1838  164298.34; 160.1347  213437.45; 170.0993  56866.69; 
218.1033  189619.22; 232.155  215419.53; 233.1535  69567.91; 260.1492  87687.36;