1,39.321,3.136,"1_3_diaminopropane","1"
2,39.321,3.117,"1_3_diaminopropane","1"
3,39.321,3.099,"1_3_diaminopropane","1"
4,27.606,2.106,"1_3_diaminopropane","1"
5,27.605,2.087,"1_3_diaminopropane","1"
6,27.605,2.068,"1_3_diaminopropane","1"
1,140.392,7.968,"2_deoxyguanosine","1"
2,86.668,6.281,"2_deoxyguanosine","1"
3,73.29,4.617,"2_deoxyguanosine","1"
4,73.903,4.611,"2_deoxyguanosine","1"
5,89.855,4.119,"2_deoxyguanosine","1"
6,64.332,3.827,"2_deoxyguanosine","1"
7,64.353,3.796,"2_deoxyguanosine","1"
8,64.346,3.764,"2_deoxyguanosine","1"
9,64.365,3.735,"2_deoxyguanosine","1"
10,41.423,2.794,"2_deoxyguanosine","1"
11,41.418,2.774,"2_deoxyguanosine","1"
12,41.408,2.759,"2_deoxyguanosine","1"
13,41.42,2.522,"2_deoxyguanosine","1"
14,41.407,2.488,"2_deoxyguanosine","1"
1,77.808,4.531,"2P_glycericacid","1"
2,77.845,4.51,"2P_glycericacid","1"
3,69.206,4.037,"2P_glycericacid","1"
1,75.643,4.187,"D_3_phosphoglyceric_acid","1"
2,75.637,4.174,"D_3_phosphoglyceric_acid","1"
3,69.474,4.04,"D_3_phosphoglyceric_acid","1"
4,69.478,4.013,"D_3_phosphoglyceric_acid","1"
5,69.506,4.001,"D_3_phosphoglyceric_acid","1"
6,69.472,3.899,"D_3_phosphoglyceric_acid","1"
7,69.49,3.884,"D_3_phosphoglyceric_acid","1"
8,69.493,3.857,"D_3_phosphoglyceric_acid","1"
9,69.514,3.841,"D_3_phosphoglyceric_acid","1"
1,147.976,8.434,"adenine","3"
2,146.231,8.38,"adenine","3"
1,143.294,8.297,"adenosine","1"
2,155.215,8.17,"adenosine","1"
3,91.047,6.044,"adenosine","1"
4,91.054,6.034,"adenosine","1"
5,76.403,4.779,"adenosine","1"
6,73.361,4.428,"adenosine","1"
7,88.533,4.293,"adenosine","1"
8,64.205,3.94,"adenosine","1"
9,64.216,3.907,"adenosine","1"
10,64.207,3.854,"adenosine","1"
11,64.216,3.821,"adenosine","1"
1,142.809,8.573,"ADP","1"
2,142.583,8.504,"ADP","1"
3,155.428,8.176,"ADP","1"
4,89.75,6.115,"ADP","1"
5,77.231,4.795,"ADP","1"
6,77.058,4.753,"ADP","1"
7,72.615,4.62,"ADP","1"
8,73.411,4.516,"ADP","1"
9,86.45,4.392,"ADP","1"
10,87.413,4.375,"ADP","1"
11,67.167,4.234,"ADP","1"
12,67.178,4.207,"ADP","1"
13,66.227,4.031,"ADP","1"
1,43.159,3.249,"agmatine","1"
2,43.162,3.233,"agmatine","1"
3,41.737,3.029,"agmatine","1"
4,41.738,3.011,"agmatine","1"
5,26.722,1.75,"agmatine","1"
6,27.711,1.734,"agmatine","1"
7,26.723,1.737,"agmatine","1"
8,26.722,1.729,"agmatine","1"
9,27.699,1.689,"agmatine","1"
10,27.702,1.674,"agmatine","1"
1,38.572,3.019,"alpha_ketoglutaric_acid","1"
2,38.572,3.002,"alpha_ketoglutaric_acid","1"
3,38.569,2.985,"alpha_ketoglutaric_acid","1"
4,33.321,2.45,"alpha_ketoglutaric_acid","1"
5,33.318,2.434,"alpha_ketoglutaric_acid","1"
6,33.316,2.417,"alpha_ketoglutaric_acid","1"
1,94.533,5.222,"alpha_lactose","1"
2,72.845,5.222,"alpha_lactose","1"
3,98.48,4.673,"alpha_lactose","1"
4,76.533,4.667,"alpha_lactose","1"
5,98.48,4.654,"alpha_lactose","1"
6,105.643,4.458,"alpha_lactose","1"
7,73.69,4.452,"alpha_lactose","1"
8,105.637,4.44,"alpha_lactose","1"
9,62.815,3.968,"alpha_lactose","1"
10,72.842,3.942,"alpha_lactose","1"
11,62.804,3.935,"alpha_lactose","1"
12,75.238,3.928,"alpha_lactose","1"
13,73.687,3.927,"alpha_lactose","1"
14,71.282,3.926,"alpha_lactose","1"
15,62.703,3.902,"alpha_lactose","1"
16,62.678,3.869,"alpha_lactose","1"
17,74.132,3.855,"alpha_lactose","1"
18,74.135,3.831,"alpha_lactose","1"
19,63.734,3.821,"alpha_lactose","1"
20,77.539,3.817,"alpha_lactose","1"
21,62.785,3.817,"alpha_lactose","1"
22,74.165,3.811,"alpha_lactose","1"
23,63.747,3.794,"alpha_lactose","1"
24,62.818,3.784,"alpha_lactose","1"
25,78.084,3.779,"alpha_lactose","1"
26,63.752,3.768,"alpha_lactose","1"
27,63.761,3.733,"alpha_lactose","1"
28,78.084,3.731,"alpha_lactose","1"
29,81.047,3.689,"alpha_lactose","1"
30,71.285,3.68,"alpha_lactose","1"
31,75.251,3.679,"alpha_lactose","1"
32,81.063,3.669,"alpha_lactose","1"
33,73.684,3.666,"alpha_lactose","1"
34,81.076,3.652,"alpha_lactose","1"
35,77.542,3.655,"alpha_lactose","1"
36,77.084,3.651,"alpha_lactose","1"
37,75.236,3.653,"alpha_lactose","1"
38,71.278,3.654,"alpha_lactose","1"
39,76.532,3.647,"alpha_lactose","1"
40,77.087,3.637,"alpha_lactose","1"
41,77.088,3.615,"alpha_lactose","1"
42,81.052,3.601,"alpha_lactose","1"
43,77.527,3.602,"alpha_lactose","1"
44,73.887,3.591,"alpha_lactose","1"
45,73.8,3.565,"alpha_lactose","1"
46,75.241,3.542,"alpha_lactose","1"
47,73.687,3.543,"alpha_lactose","1"
48,73.681,3.52,"alpha_lactose","1"
49,76.53,3.305,"alpha_lactose","1"
50,76.529,3.285,"alpha_lactose","1"
51,76.53,3.267,"alpha_lactose","1"
1,133.576,7.74,"aminobenzoic_acid","1"
2,133.576,7.719,"aminobenzoic_acid","1"
3,117.809,6.83,"aminobenzoic_acid","1"
4,117.81,6.81,"aminobenzoic_acid","1"
1,142.809,8.571,"AMP","1"
2,155.416,8.169,"AMP","1"
3,89.567,6.106,"AMP","1"
4,77.225,4.795,"AMP","1"
5,73.408,4.517,"AMP","1"
6,87.414,4.376,"AMP","1"
7,66.236,4.032,"AMP","1"
1,133.66,7.707,"anthranilic","1"
2,133.66,7.687,"anthranilic","1"
3,134.726,7.306,"anthranilic","1"
4,134.726,7.287,"anthranilic","1"
5,134.727,7.269,"anthranilic","1"
6,120.405,6.862,"anthranilic","1"
7,134.722,6.853,"anthranilic","1"
8,120.421,6.84,"anthranilic","1"
9,120.705,6.815,"anthranilic","1"
10,120.703,6.796,"anthranilic","1"
1,72.963,3.924,"arabitol","1"
2,65.642,3.847,"arabitol","1"
3,65.641,3.817,"arabitol","1"
4,73.617,3.745,"arabitol","1"
5,73.621,3.728,"arabitol","1"
6,65.716,3.672,"arabitol","1"
7,72.952,3.666,"arabitol","1"
8,65.715,3.658,"arabitol","1"
9,65.656,3.627,"arabitol","1"
10,73.154,3.576,"arabitol","1"
11,73.62,3.567,"arabitol","1"
12,73.153,3.554,"arabitol","1"
1,142.61,8.527,"ATP","1"
2,155.508,8.21,"ATP","1"
3,89.362,6.125,"ATP","1"
4,76.947,4.808,"ATP","1"
5,72.941,4.63,"ATP","1"
6,86.7,4.407,"ATP","1"
7,67.766,4.295,"ATP","1"
8,67.778,4.236,"ATP","1"
9,67.772,4.209,"ATP","1"
1,94.796,5.222,"D_glucose","1"
2,98.611,4.645,"D_glucose","1"
3,76.837,4.64,"D_glucose","1"
4,98.612,4.626,"D_glucose","1"
5,63.439,3.903,"D_glucose","1"
6,63.44,3.872,"D_glucose","1"
7,63.316,3.847,"D_glucose","1"
8,72.324,3.827,"D_glucose","1"
9,74.155,3.822,"D_glucose","1"
10,63.299,3.817,"D_glucose","1"
11,74.161,3.772,"D_glucose","1"
12,63.296,3.765,"D_glucose","1"
13,63.397,3.733,"D_glucose","1"
14,78.652,3.73,"D_glucose","1"
15,75.474,3.73,"D_glucose","1"
16,63.419,3.726,"D_glucose","1"
17,75.473,3.705,"D_glucose","1"
18,78.702,3.698,"D_glucose","1"
19,74.181,3.696,"D_glucose","1"
20,75.467,3.681,"D_glucose","1"
21,74.178,3.537,"D_glucose","1"
22,75.482,3.527,"D_glucose","1"
23,74.176,3.512,"D_glucose","1"
24,78.449,3.505,"D_glucose","1"
25,76.778,3.501,"D_glucose","1"
26,78.526,3.48,"D_glucose","1"
27,76.846,3.472,"D_glucose","1"
28,78.585,3.457,"D_glucose","1"
29,72.294,3.461,"D_glucose","1"
30,78.589,3.411,"D_glucose","1"
31,72.313,3.392,"D_glucose","1"
32,78.549,3.377,"D_glucose","1"
33,72.318,3.37,"D_glucose","1"
34,76.837,3.257,"D_glucose","1"
35,78.497,3.235,"D_glucose","1"
36,76.843,3.235,"D_glucose","1"
37,76.845,3.213,"D_glucose","1"
1,68.875,3.895,"betaine","1"
2,56.051,3.258,"betaine","1"
1,87.578,5.561,"betaine_aldehyde_chloride","1"
2,56.925,3.228,"betaine_aldehyde_chloride","1"
1,41.878,3.032,"cadaverine","1"
2,41.879,3.014,"cadaverine","1"
3,41.88,2.996,"cadaverine","1"
4,28.969,1.734,"cadaverine","1"
5,28.969,1.716,"cadaverine","1"
6,28.968,1.697,"cadaverine","1"
7,25.385,1.482,"cadaverine","1"
8,25.384,1.464,"cadaverine","1"
9,25.383,1.446,"cadaverine","1"
1,142.355,8.174,"cAMP","1"
2,155.534,8.144,"cAMP","1"
3,94.223,6.116,"cAMP","1"
4,93.711,6.109,"cAMP","1"
5,80.006,4.756,"cAMP","1"
6,80.003,4.736,"cAMP","1"
7,74.988,4.728,"cAMP","1"
8,70.035,4.588,"cAMP","1"
9,70.096,4.535,"cAMP","1"
10,70.08,4.378,"cAMP","1"
11,74.489,4.36,"cAMP","1"
12,70.06,4.357,"cAMP","1"
13,74.493,4.346,"cAMP","1"
14,74.5,4.315,"cAMP","1"
1,74.534,4.045,"canavanine","1"
2,55.301,3.872,"canavanine","1"
3,31.823,2.292,"canavanine","1"
4,31.804,2.242,"canavanine","1"
1,66.802,4.558,"carnitine","1"
2,72.831,3.417,"carnitine","1"
3,56.811,3.218,"carnitine","1"
6,45.684,2.428,"carnitine","1"
1,131.776,6.561,"chorismic_acid","1"
2,126.783,6.346,"chorismic_acid","1"
3,126.786,6.32,"chorismic_acid","1"
4,132.629,5.986,"chorismic_acid","1"
5,132.635,5.96,"chorismic_acid","1"
6,95.575,5.215,"chorismic_acid","1"
7,82.344,4.936,"chorismic_acid","1"
8,82.314,4.905,"chorismic_acid","1"
9,72.846,4.782,"chorismic_acid","1"
10,72.829,4.752,"chorismic_acid","1"
11,95.573,4.584,"chorismic_acid","1"
1,48.415,2.673,"citric_acid","1"
2,48.413,2.635,"citric_acid","1"
3,48.412,2.54,"citric_acid","1"
4,48.408,2.501,"citric_acid","1"
1,146.118,7.732,"coumarin","5"
2,146.116,7.708,"coumarin","5"
3,134.51,7.561,"coumarin","5"
4,134.507,7.54,"coumarin","5"
5,134.517,7.52,"coumarin","5"
6,130.537,7.505,"coumarin","5"
7,130.541,7.486,"coumarin","5"
8,119.577,7.351,"coumarin","5"
9,119.572,7.329,"coumarin","5"
10,127.099,7.307,"coumarin","5"
11,127.108,7.288,"coumarin","5"
12,127.099,7.269,"coumarin","5"
13,119.377,6.445,"coumarin","5"
14,119.376,6.421,"coumarin","5"
1,56.548,3.921,"creatine","1"
2,39.634,3.028,"creatine","1"
1,56.564,3.94,"creatine_P","1"
2,39.519,3.033,"creatine_P","1"
1,64.939,5.228,"D_allose","1"
2,95.529,5.137,"D_allose","1"
3,96.096,4.906,"D_allose","1"
4,96.11,4.887,"D_allose","1"
5,73.94,4.881,"D_allose","1"
6,96.11,4.866,"D_allose","1"
7,73.948,4.861,"D_allose","1"
8,73.581,4.376,"D_allose","1"
9,72.013,4.205,"D_allose","1"
10,74.789,4.168,"D_allose","1"
11,73.115,4.166,"D_allose","1"
12,73.859,4.16,"D_allose","1"
13,74.389,4.156,"D_allose","1"
14,72.777,4.149,"D_allose","1"
15,73.711,4.084,"D_allose","1"
16,86.176,4.066,"D_allose","1"
17,77.999,3.983,"D_allose","1"
18,69.556,3.962,"D_allose","1"
19,69.553,3.946,"D_allose","1"
20,64.254,3.893,"D_allose","1"
21,84.849,3.884,"D_allose","1"
22,63.864,3.885,"D_allose","1"
23,63.347,3.883,"D_allose","1"
24,63.865,3.855,"D_allose","1"
25,63.352,3.853,"D_allose","1"
26,75.172,3.81,"D_allose","1"
27,69.465,3.81,"D_allose","1"
28,63.369,3.8,"D_allose","1"
29,76.29,3.777,"D_allose","1"
30,69.483,3.777,"D_allose","1"
31,63.363,3.771,"D_allose","1"
32,76.289,3.758,"D_allose","1"
33,63.881,3.76,"D_allose","1"
34,69.499,3.747,"D_allose","1"
35,65.118,3.742,"D_allose","1"
36,76.284,3.709,"D_allose","1"
37,63.862,3.708,"D_allose","1"
38,63.859,3.697,"D_allose","1"
39,76.29,3.692,"D_allose","1"
40,69.722,3.691,"D_allose","1"
41,76.261,3.677,"D_allose","1"
42,63.861,3.669,"D_allose","1"
43,76.288,3.653,"D_allose","1"
44,68.747,3.653,"D_allose","1"
45,69.49,3.639,"D_allose","1"
46,65.11,3.639,"D_allose","1"
47,76.289,3.629,"D_allose","1"
48,68.752,3.628,"D_allose","1"
49,65.081,3.618,"D_allose","1"
50,69.485,3.613,"D_allose","1"
51,65.03,3.61,"D_allose","1"
52,76.293,3.604,"D_allose","1"
54,73.94,3.415,"D_allose","1"
55,96.117,3.404,"D_allose","1"
56,73.938,3.395,"D_allose","1"
1,97.834,5.292,"D_arabinose","1"
2,95.276,5.229,"D_arabinose","1"
3,99.474,4.516,"D_arabinose","1"
4,74.544,4.509,"D_arabinose","1"
5,99.476,4.496,"D_arabinose","1"
6,85.678,4.111,"D_arabinose","1"
7,78.928,4.075,"D_arabinose","1"
8,65.191,4.034,"D_arabinose","1"
9,84.161,4.027,"D_arabinose","1"
10,65.191,4.003,"D_arabinose","1"
11,71.388,3.995,"D_arabinose","1"
12,78.225,3.978,"D_arabinose","1"
13,71.188,3.933,"D_arabinose","1"
14,69.09,3.909,"D_arabinose","1"
15,71.316,3.884,"D_arabinose","1"
16,69.086,3.875,"D_arabinose","1"
17,71.29,3.861,"D_arabinose","1"
18,71.184,3.819,"D_arabinose","1"
19,71.135,3.795,"D_arabinose","1"
20,63.806,3.775,"D_arabinose","1"
21,65.242,3.769,"D_arabinose","1"
22,63.815,3.692,"D_arabinose","1"
23,69.084,3.687,"D_arabinose","1"
24,75.164,3.667,"D_arabinose","1"
25,65.19,3.655,"D_arabinose","1"
26,69.086,3.653,"D_arabinose","1"
27,75.155,3.641,"D_arabinose","1"
28,65.188,3.625,"D_arabinose","1"
29,74.57,3.523,"D_arabinose","1"
30,74.577,3.502,"D_arabinose","1"
31,75.218,3.501,"D_arabinose","1"
32,74.57,3.479,"D_arabinose","1"
1,83.392,4.108,"D_fructose","1"
2,77.141,4.106,"D_fructose","1"
3,78.08,4.105,"D_fructose","1"
4,84.671,4.099,"D_fructose","1"
5,77.143,4.078,"D_fructose","1"
6,84.011,4.053,"D_fructose","1"
7,66.072,4.035,"D_fructose","1"
8,67.895,4.023,"D_fructose","1"
9,66.073,4.003,"D_fructose","1"
10,78.736,3.99,"D_fructose","1"
11,72.375,3.986,"D_fructose","1"
12,72.099,3.983,"D_fructose","1"
13,71.907,3.987,"D_fructose","1"
14,71.681,3.984,"D_fructose","1"
15,73.155,3.937,"D_fructose","1"
16,71.911,3.907,"D_fructose","1"
17,72.582,3.903,"D_fructose","1"
18,72.383,3.903,"D_fructose","1"
19,70.258,3.886,"D_fructose","1"
20,71.917,3.879,"D_fructose","1"
21,72.8,3.873,"D_fructose","1"
22,72.383,3.876,"D_fructose","1"
23,72.152,3.872,"D_fructose","1"
24,63.853,3.864,"D_fructose","1"
25,72.813,3.859,"D_fructose","1"
26,63.789,3.828,"D_fructose","1"
27,83.389,3.817,"D_fructose","1"
28,65.073,3.809,"D_fructose","1"
29,72.383,3.796,"D_fructose","1"
30,70.463,3.799,"D_fructose","1"
31,70.258,3.8,"D_fructose","1"
32,70.028,3.798,"D_fructose","1"
33,63.791,3.796,"D_fructose","1"
34,83.39,3.788,"D_fructose","1"
35,65.071,3.778,"D_fructose","1"
36,70.466,3.772,"D_fructose","1"
37,70.257,3.774,"D_fructose","1"
38,70.037,3.771,"D_fructose","1"
39,66.587,3.719,"D_fructose","1"
40,66.072,3.714,"D_fructose","1"
41,63.803,3.702,"D_fructose","1"
42,66.587,3.689,"D_fructose","1"
43,83.385,3.684,"D_fructose","1"
44,65.071,3.685,"D_fructose","1"
45,66.072,3.682,"D_fructose","1"
46,65.072,3.672,"D_fructose","1"
47,63.8,3.674,"D_fructose","1"
48,63.819,3.653,"D_fructose","1"
49,65.611,3.646,"D_fructose","1"
50,65.071,3.646,"D_fructose","1"
51,65.365,3.604,"D_fructose","1"
52,65.365,3.575,"D_fructose","1"
53,66.587,3.567,"D_fructose","1"
54,65.366,3.554,"D_fructose","1"
55,66.587,3.538,"D_fructose","1"
56,65.367,3.525,"D_fructose","1"
1,76.867,4.214,"D_fructose_1_6_diphosphate","1"
2,76.867,4.195,"D_fructose_1_6_diphosphate","1"
3,84.721,4.177,"D_fructose_1_6_diphosphate","1"
4,78.542,4.177,"D_fructose_1_6_diphosphate","1"
5,76.883,4.178,"D_fructose_1_6_diphosphate","1"
6,78.538,4.153,"D_fructose_1_6_diphosphate","1"
7,84.173,4.068,"D_fructose_1_6_diphosphate","1"
8,79.474,4.059,"D_fructose_1_6_diphosphate","1"
9,79.466,4.05,"D_fructose_1_6_diphosphate","1"
10,67.395,3.949,"D_fructose_1_6_diphosphate","1"
11,82.404,3.926,"D_fructose_1_6_diphosphate","1"
12,67.472,3.927,"D_fructose_1_6_diphosphate","1"
13,67.04,3.915,"D_fructose_1_6_diphosphate","1"
14,67.035,3.874,"D_fructose_1_6_diphosphate","1"
15,68.428,3.775,"D_fructose_1_6_diphosphate","1"
1,77.059,4.252,"D_fructose_6_phosphate","1"
2,77.064,4.235,"D_fructose_6_phosphate","1"
3,77.864,4.123,"D_fructose_6_phosphate","1"
4,83.132,4.118,"D_fructose_6_phosphate","1"
5,78.521,4.116,"D_fructose_6_phosphate","1"
6,77.488,4.116,"D_fructose_6_phosphate","1"
7,77.094,4.116,"D_fructose_6_phosphate","1"
8,78.533,4.101,"D_fructose_6_phosphate","1"
9,77.869,4.101,"D_fructose_6_phosphate","1"
10,84.458,4.097,"D_fructose_6_phosphate","1"
11,66.136,3.94,"D_fructose_6_phosphate","1"
12,67.017,3.917,"D_fructose_6_phosphate","1"
13,82.622,3.907,"D_fructose_6_phosphate","1"
14,66.122,3.884,"D_fructose_6_phosphate","1"
15,67.01,3.877,"D_fructose_6_phosphate","1"
16,66.168,3.872,"D_fructose_6_phosphate","1"
17,67.017,3.861,"D_fructose_6_phosphate","1"
18,65.565,3.653,"D_fructose_6_phosphate","1"
19,65.564,3.638,"D_fructose_6_phosphate","1"
20,65.33,3.595,"D_fructose_6_phosphate","1"
21,65.329,3.565,"D_fructose_6_phosphate","1"
22,65.329,3.547,"D_fructose_6_phosphate","1"
23,65.334,3.517,"D_fructose_6_phosphate","1"
1,97.647,5.272,"D_galactose","1"
2,94.998,5.256,"D_galactose","1"
3,103.645,5.212,"D_galactose","1"
4,111.862,5.015,"D_galactose","1"
5,52.378,4.822,"D_galactose","1"
6,52.407,4.785,"D_galactose","1"
7,99.168,4.585,"D_galactose","1"
8,74.586,4.578,"D_galactose","1"
9,99.169,4.566,"D_galactose","1"
10,52.321,4.565,"D_galactose","1"
11,78.368,4.098,"D_galactose","1"
12,63.894,4.086,"D_galactose","1"
13,78.948,4.079,"D_galactose","1"
14,73.199,4.08,"D_galactose","1"
15,63.896,4.076,"D_galactose","1"
16,84.626,4.036,"D_galactose","1"
17,83.991,4.008,"D_galactose","1"
18,72.021,3.979,"D_galactose","1"
19,52.426,3.984,"D_galactose","1"
20,75.514,3.923,"D_galactose","1"
21,71.458,3.921,"D_galactose","1"
22,52.432,3.921,"D_galactose","1"
23,71.683,3.915,"D_galactose","1"
24,71.878,3.863,"D_galactose","1"
25,71.058,3.841,"D_galactose","1"
26,71.878,3.835,"D_galactose","1"
27,71.878,3.806,"D_galactose","1"
28,71.056,3.808,"D_galactose","1"
29,73.34,3.798,"D_galactose","1"
30,63.683,3.792,"D_galactose","1"
31,71.057,3.781,"D_galactose","1"
32,74.504,3.774,"D_galactose","1"
33,83.431,3.765,"D_galactose","1"
34,63.691,3.761,"D_galactose","1"
35,78.057,3.759,"D_galactose","1"
36,77.665,3.759,"D_galactose","1"
37,74.502,3.761,"D_galactose","1"
38,77.873,3.747,"D_galactose","1"
39,63.695,3.744,"D_galactose","1"
40,108.192,3.739,"D_galactose","1"
41,63.895,3.73,"D_galactose","1"
42,73.196,3.726,"D_galactose","1"
43,63.896,3.719,"D_galactose","1"
44,63.694,3.713,"D_galactose","1"
45,77.866,3.705,"D_galactose","1"
46,63.899,3.685,"D_galactose","1"
47,65.177,3.683,"D_galactose","1"
48,65.429,3.672,"D_galactose","1"
49,75.511,3.653,"D_galactose","1"
50,71.459,3.654,"D_galactose","1"
51,65.434,3.652,"D_galactose","1"
52,74.587,3.642,"D_galactose","1"
53,65.436,3.634,"D_galactose","1"
54,75.504,3.627,"D_galactose","1"
55,71.465,3.628,"D_galactose","1"
56,74.585,3.506,"D_galactose","1"
57,99.167,3.498,"D_galactose","1"
58,75.505,3.501,"D_galactose","1"
59,75.516,3.484,"D_galactose","1"
60,74.595,3.483,"D_galactose","1"
61,99.171,3.47,"D_galactose","1"
62,75.513,3.469,"D_galactose","1"
63,74.582,3.46,"D_galactose","1"
1,92.249,5.425,"D_glucosamine","1"
2,91.924,5.417,"D_glucosamine","1"
3,96.419,4.87,"D_glucosamine","1"
4,59.621,4.861,"D_glucosamine","1"
5,96.422,4.848,"D_glucosamine","1"
6,63.271,3.921,"D_glucosamine","1"
7,63.628,3.914,"D_glucosamine","1"
8,74.341,3.888,"D_glucosamine","1"
9,63.611,3.883,"D_glucosamine","1"
10,63.269,3.888,"D_glucosamine","1"
11,72.764,3.882,"D_glucosamine","1"
12,72.322,3.879,"D_glucosamine","1"
13,57.1,3.875,"D_glucosamine","1"
14,74.341,3.868,"D_glucosamine","1"
15,63.074,3.867,"D_glucosamine","1"
16,72.764,3.857,"D_glucosamine","1"
17,57.101,3.858,"D_glucosamine","1"
18,72.33,3.844,"D_glucosamine","1"
19,74.338,3.84,"D_glucosamine","1"
20,57.106,3.841,"D_glucosamine","1"
21,72.764,3.833,"D_glucosamine","1"
22,63.068,3.834,"D_glucosamine","1"
23,74.343,3.803,"D_glucosamine","1"
24,63.065,3.802,"D_glucosamine","1"
25,74.339,3.769,"D_glucosamine","1"
26,78.857,3.762,"D_glucosamine","1"
27,63.612,3.757,"D_glucosamine","1"
28,63.252,3.761,"D_glucosamine","1"
29,63.271,3.731,"D_glucosamine","1"
30,78.843,3.729,"D_glucosamine","1"
31,63.274,3.724,"D_glucosamine","1"
32,75.595,3.646,"D_glucosamine","1"
33,72.395,3.641,"D_glucosamine","1"
34,59.615,3.641,"D_glucosamine","1"
35,75.59,3.622,"D_glucosamine","1"
36,59.633,3.623,"D_glucosamine","1"
37,72.415,3.61,"D_glucosamine","1"
38,75.597,3.598,"D_glucosamine","1"
39,78.852,3.527,"D_glucosamine","1"
40,76.281,3.522,"D_glucosamine","1"
41,78.852,3.503,"D_glucosamine","1"
42,72.334,3.499,"D_glucosamine","1"
43,63.293,3.499,"D_glucosamine","1"
44,74.343,3.493,"D_glucosamine","1"
45,72.768,3.492,"D_glucosamine","1"
46,74.345,3.474,"D_glucosamine","1"
47,72.336,3.475,"D_glucosamine","1"
48,78.852,3.472,"D_glucosamine","1"
49,75.594,3.466,"D_glucosamine","1"
50,73.254,3.463,"D_glucosamine","1"
51,72.747,3.463,"D_glucosamine","1"
52,74.355,3.461,"D_glucosamine","1"
53,78.849,3.453,"D_glucosamine","1"
54,72.37,3.45,"D_glucosamine","1"
55,75.59,3.434,"D_glucosamine","1"
56,72.4,3.426,"D_glucosamine","1"
57,57.101,3.245,"D_glucosamine","1"
58,72.765,3.235,"D_glucosamine","1"
59,57.102,3.218,"D_glucosamine","1"
60,59.624,2.924,"D_glucosamine","1"
61,75.587,2.901,"D_glucosamine","1"
62,59.626,2.9,"D_glucosamine","1"
63,59.627,2.876,"D_glucosamine","1"
1,96.183,5.223,"D_glucose_6_phosphate","1"
2,100.423,4.65,"D_glucose_6_phosphate","1"
3,100.423,4.631,"D_glucose_6_phosphate","1"
4,63.773,4.033,"D_glucose_6_phosphate","1"
5,63.787,4.025,"D_glucose_6_phosphate","1"
6,63.854,3.991,"D_glucose_6_phosphate","1"
7,63.784,3.929,"D_glucose_6_phosphate","1"
8,63.78,3.898,"D_glucose_6_phosphate","1"
9,72.925,3.891,"D_glucose_6_phosphate","1"
10,72.93,3.866,"D_glucose_6_phosphate","1"
11,74.309,3.743,"D_glucose_6_phosphate","1"
12,74.3,3.718,"D_glucose_6_phosphate","1"
13,74.3,3.694,"D_glucose_6_phosphate","1"
14,70.707,3.597,"D_glucose_6_phosphate","1"
15,73.509,3.578,"D_glucose_6_phosphate","1"
16,70.706,3.572,"D_glucose_6_phosphate","1"
17,77.623,3.553,"D_glucose_6_phosphate","1"
18,73.509,3.553,"D_glucose_6_phosphate","1"
19,70.703,3.548,"D_glucose_6_phosphate","1"
20,77.681,3.515,"D_glucose_6_phosphate","1"
21,70.705,3.513,"D_glucose_6_phosphate","1"
22,77.593,3.495,"D_glucose_6_phosphate","1"
23,77.564,3.475,"D_glucose_6_phosphate","1"
24,76.448,3.296,"D_glucose_6_phosphate","1"
25,76.455,3.275,"D_glucose_6_phosphate","1"
26,76.449,3.254,"D_glucose_6_phosphate","1"
1,102.272,5.407,"D_maltose","1"
2,94.604,5.224,"D_maltose","1"
3,98.474,4.658,"D_maltose","1"
4,76.715,4.653,"D_maltose","1"
5,98.469,4.639,"D_maltose","1"
6,75.945,3.988,"D_maltose","1"
7,75.945,3.964,"D_maltose","1"
8,79.526,3.947,"D_maltose","1"
9,72.646,3.947,"D_maltose","1"
10,75.945,3.94,"D_maltose","1"
11,72.651,3.923,"D_maltose","1"
12,63.431,3.921,"D_maltose","1"
13,63.431,3.89,"D_maltose","1"
14,63.201,3.865,"D_maltose","1"
15,63.213,3.835,"D_maltose","1"
16,72.634,3.819,"D_maltose","1"
17,78.924,3.787,"D_maltose","1"
18,75.377,3.775,"D_maltose","1"
19,63.247,3.774,"D_maltose","1"
20,78.922,3.765,"D_maltose","1"
21,76.704,3.762,"D_maltose","1"
22,76.711,3.759,"D_maltose","1"
23,78.926,3.742,"D_maltose","1"
24,63.255,3.742,"D_maltose","1"
25,72.024,3.716,"D_maltose","1"
26,75.464,3.7,"D_maltose","1"
27,74.403,3.694,"D_maltose","1"
28,75.529,3.68,"D_maltose","1"
29,74.397,3.676,"D_maltose","1"
30,72.04,3.671,"D_maltose","1"
31,79.435,3.665,"D_maltose","1"
32,74.352,3.663,"D_maltose","1"
33,72.591,3.658,"D_maltose","1"
34,75.542,3.655,"D_maltose","1"
35,79.431,3.641,"D_maltose","1"
36,77.276,3.641,"D_maltose","1"
37,79.403,3.617,"D_maltose","1"
38,77.277,3.601,"D_maltose","1"
39,74.384,3.588,"D_maltose","1"
40,75.556,3.58,"D_maltose","1"
41,74.358,3.562,"D_maltose","1"
42,72.021,3.437,"D_maltose","1"
43,75.482,3.43,"D_maltose","1"
44,72.027,3.414,"D_maltose","1"
45,75.488,3.399,"D_maltose","1"
46,72.032,3.39,"D_maltose","1"
47,76.715,3.291,"D_maltose","1"
48,78.924,3.283,"D_maltose","1"
49,78.9,3.267,"D_maltose","1"
50,76.712,3.269,"D_maltose","1"
51,76.71,3.247,"D_maltose","1"
1,96.745,5.175,"D_mannose","1"
2,96.393,4.893,"D_mannose","1"
3,73.894,3.936,"D_mannose","1"
4,73.423,3.928,"D_mannose","1"
5,63.662,3.916,"D_mannose","1"
6,63.666,3.884,"D_mannose","1"
7,72.952,3.854,"D_mannose","1"
8,63.661,3.854,"D_mannose","1"
9,69.555,3.842,"D_mannose","1"
10,72.952,3.829,"D_mannose","1"
11,75.11,3.815,"D_mannose","1"
12,69.562,3.81,"D_mannose","1"
13,75.107,3.795,"D_mannose","1"
14,63.658,3.796,"D_mannose","1"
15,75.131,3.774,"D_mannose","1"
16,63.656,3.773,"D_mannose","1"
17,63.665,3.749,"D_mannose","1"
18,63.667,3.732,"D_mannose","1"
19,63.682,3.703,"D_mannose","1"
20,69.563,3.677,"D_mannose","1"
21,75.117,3.67,"D_mannose","1"
22,72.936,3.67,"D_mannose","1"
23,75.768,3.665,"D_mannose","1"
24,69.53,3.651,"D_mannose","1"
25,75.761,3.64,"D_mannose","1"
26,72.933,3.636,"D_mannose","1"
27,69.554,3.626,"D_mannose","1"
28,75.768,3.589,"D_mannose","1"
29,69.318,3.591,"D_mannose","1"
30,69.304,3.567,"D_mannose","1"
31,75.777,3.556,"D_mannose","1"
32,69.309,3.542,"D_mannose","1"
33,78.869,3.395,"D_mannose","1"
34,78.873,3.378,"D_mannose","1"
35,69.276,3.378,"D_mannose","1"
36,78.88,3.357,"D_mannose","1"
1,56.826,3.773,"D_ornithine","1"
2,41.574,3.067,"D_ornithine","1"
3,41.577,3.048,"D_ornithine","1"
4,41.579,3.03,"D_ornithine","1"
5,30.194,1.945,"D_ornithine","1"
6,30.194,1.927,"D_ornithine","1"
7,25.464,1.827,"D_ornithine","1"
8,25.46,1.809,"D_ornithine","1"
9,25.458,1.788,"D_ornithine","1"
10,25.462,1.774,"D_ornithine","1"
11,25.467,1.757,"D_ornithine","1"
12,25.467,1.724,"D_ornithine","1"
1,73.149,4.337,"D_psicose","1"
2,73.956,4.195,"D_psicose","1"
3,86.032,4.095,"D_psicose","1"
4,72.405,4.091,"D_psicose","1"
5,65.651,4.08,"D_psicose","1"
6,65.66,4.049,"D_psicose","1"
7,77.143,4.032,"D_psicose","1"
8,66.638,4.004,"D_psicose","1"
9,86.038,3.993,"D_psicose","1"
10,70.953,3.947,"D_psicose","1"
11,63.708,3.837,"D_psicose","1"
12,58.834,3.826,"D_psicose","1"
13,67.48,3.826,"D_psicose","1"
14,65.554,3.81,"D_psicose","1"
15,63.702,3.807,"D_psicose","1"
16,72.29,3.801,"D_psicose","1"
17,65.485,3.778,"D_psicose","1"
18,62.495,3.772,"D_psicose","1"
19,62.494,3.742,"D_psicose","1"
20,67.088,3.696,"D_psicose","1"
21,64.377,3.693,"D_psicose","1"
22,64.353,3.665,"D_psicose","1"
23,62.491,3.649,"D_psicose","1"
24,58.81,3.648,"D_psicose","1"
25,62.486,3.62,"D_psicose","1"
26,63.645,3.612,"D_psicose","1"
27,65.421,3.587,"D_psicose","1"
28,63.646,3.583,"D_psicose","1"
29,64.615,3.573,"D_psicose","1"
30,65.428,3.559,"D_psicose","1"
31,64.395,3.448,"D_psicose","1"
32,64.4,3.419,"D_psicose","1"
1,98.969,5.372,"D_ribose","1"
2,103.752,5.24,"D_ribose","1"
3,96.391,4.926,"D_ribose","1"
4,72.797,4.921,"D_ribose","1"
5,96.389,4.91,"D_ribose","1"
6,96.105,4.856,"D_ribose","1"
7,72.198,4.203,"D_ribose","1"
8,85.257,4.119,"D_ribose","1"
9,72.742,4.094,"D_ribose","1"
10,70.781,4.093,"D_ribose","1"
11,71.763,4.089,"D_ribose","1"
12,77.201,3.987,"D_ribose","1"
13,84.659,3.975,"D_ribose","1"
14,64.633,3.929,"D_ribose","1"
15,70.963,3.917,"D_ribose","1"
16,64.691,3.913,"D_ribose","1"
17,64.668,3.893,"D_ribose","1"
18,68.883,3.88,"D_ribose","1"
19,68.909,3.862,"D_ribose","1"
20,64.507,3.845,"D_ribose","1"
21,68.893,3.818,"D_ribose","1"
22,64.504,3.814,"D_ribose","1"
23,71.832,3.806,"D_ribose","1"
24,64.039,3.79,"D_ribose","1"
25,62.831,3.762,"D_ribose","1"
26,62.817,3.731,"D_ribose","1"
27,64.507,3.703,"D_ribose","1"
28,68.876,3.696,"D_ribose","1"
29,64.503,3.679,"D_ribose","1"
30,68.896,3.664,"D_ribose","1"
31,64.493,3.653,"D_ribose","1"
32,62.811,3.653,"D_ribose","1"
33,64.073,3.629,"D_ribose","1"
34,62.826,3.624,"D_ribose","1"
35,64.654,3.621,"D_ribose","1"
36,64.644,3.591,"D_ribose","1"
37,72.809,3.516,"D_ribose","1"
38,96.408,3.512,"D_ribose","1"
39,72.807,3.509,"D_ribose","1"
1,64.485,3.718,"D_sorbose","1"
2,66.171,3.707,"D_sorbose","1"
3,76.539,3.692,"D_sorbose","1"
4,66.172,3.678,"D_sorbose","1"
5,64.485,3.672,"D_sorbose","1"
6,76.533,3.669,"D_sorbose","1"
7,72.114,3.652,"D_sorbose","1"
8,76.535,3.646,"D_sorbose","1"
9,64.484,3.645,"D_sorbose","1"
10,72.12,3.621,"D_sorbose","1"
11,64.48,3.621,"D_sorbose","1"
12,72.12,3.596,"D_sorbose","1"
13,66.17,3.517,"D_sorbose","1"
14,73.068,3.5,"D_sorbose","1"
15,66.17,3.489,"D_sorbose","1"
16,73.07,3.477,"D_sorbose","1"
1,62.835,4.198,"D_tagatose","1"
2,62.84,4.166,"D_tagatose","1"
3,73.615,4.02,"D_tagatose","1"
4,66.405,3.939,"D_tagatose","1"
5,71.987,3.92,"D_tagatose","1"
6,72.503,3.894,"D_tagatose","1"
7,73.626,3.85,"D_tagatose","1"
8,69.07,3.851,"D_tagatose","1"
9,69.071,3.809,"D_tagatose","1"
10,64.949,3.764,"D_tagatose","1"
11,64.953,3.737,"D_tagatose","1"
12,66.593,3.732,"D_tagatose","1"
13,66.593,3.702,"D_tagatose","1"
14,66.209,3.679,"D_tagatose","1"
15,65.018,3.667,"D_tagatose","1"
16,64.954,3.643,"D_tagatose","1"
17,69.07,3.637,"D_tagatose","1"
18,64.954,3.623,"D_tagatose","1"
19,62.836,3.615,"D_tagatose","1"
20,62.836,3.584,"D_tagatose","1"
21,65.255,3.579,"D_tagatose","1"
22,65.304,3.562,"D_tagatose","1"
23,66.592,3.521,"D_tagatose","1"
24,66.592,3.491,"D_tagatose","1"
1,99.195,5.36,"D_talose","1"
2,97.312,5.271,"D_talose","1"
3,103.588,5.232,"D_talose","1"
4,96.837,4.809,"D_talose","1"
5,73.266,4.321,"D_talose","1"
6,73.32,4.176,"D_talose","1"
7,73.883,4.079,"D_talose","1"
8,85.147,4.075,"D_talose","1"
9,77.857,3.985,"D_talose","1"
10,72.316,3.917,"D_talose","1"
11,67.742,3.911,"D_talose","1"
12,84.513,3.902,"D_talose","1"
13,74.215,3.897,"D_talose","1"
14,73.38,3.842,"D_talose","1"
15,71.326,3.842,"D_talose","1"
16,63.946,3.825,"D_talose","1"
17,64.044,3.802,"D_talose","1"
18,73.739,3.779,"D_talose","1"
19,64.08,3.781,"D_talose","1"
20,74.482,3.767,"D_talose","1"
21,71.094,3.769,"D_talose","1"
22,65.42,3.734,"D_talose","1"
23,65.427,3.701,"D_talose","1"
24,65.474,3.644,"D_talose","1"
25,65.476,3.624,"D_talose","1"
26,78.343,3.615,"D_talose","1"
1,76.387,3.975,"D_threo_isocitric_acid","1"
2,51.837,3.977,"D_threo_isocitric_acid","1"
3,77.449,3.962,"D_threo_isocitric_acid","1"
4,77.123,3.962,"D_threo_isocitric_acid","1"
5,51.811,2.971,"D_threo_isocitric_acid","1"
6,51.81,2.961,"D_threo_isocitric_acid","1"
7,40.336,2.96,"D_threo_isocitric_acid","1"
8,40.342,2.534,"D_threo_isocitric_acid","1"
9,51.779,2.529,"D_threo_isocitric_acid","1"
10,40.338,2.514,"D_threo_isocitric_acid","1"
11,40.339,2.497,"D_threo_isocitric_acid","1"
12,51.807,2.488,"D_threo_isocitric_acid","1"
13,40.337,2.476,"D_threo_isocitric_acid","1"
14,40.341,2.439,"D_threo_isocitric_acid","1"
15,51.799,2.433,"D_threo_isocitric_acid","1"
16,40.342,2.422,"D_threo_isocitric_acid","1"
17,40.344,2.403,"D_threo_isocitric_acid","1"
18,51.807,2.394,"D_threo_isocitric_acid","1"
19,40.343,2.383,"D_threo_isocitric_acid","1"
1,64.943,5.186,"D_xylose","1"
2,69.335,4.579,"D_xylose","1"
3,76.746,4.572,"D_xylose","1"
4,69.336,4.559,"D_xylose","1"
5,67.909,3.929,"D_xylose","1"
6,67.91,3.901,"D_xylose","1"
7,72.113,3.701,"D_xylose","1"
8,63.653,3.693,"D_xylose","1"
9,75.529,3.679,"D_xylose","1"
10,72.114,3.68,"D_xylose","1"
11,63.658,3.674,"D_xylose","1"
12,75.533,3.656,"D_xylose","1"
13,71.952,3.649,"D_xylose","1"
14,74.17,3.641,"D_xylose","1"
15,75.532,3.633,"D_xylose","1"
16,72.113,3.629,"D_xylose","1"
17,71.94,3.625,"D_xylose","1"
18,63.66,3.626,"D_xylose","1"
19,67.91,3.62,"D_xylose","1"
20,71.941,3.612,"D_xylose","1"
21,72.113,3.606,"D_xylose","1"
22,72.115,3.586,"D_xylose","1"
23,71.956,3.588,"D_xylose","1"
24,72.116,3.564,"D_xylose","1"
25,74.174,3.526,"D_xylose","1"
26,75.531,3.519,"D_xylose","1"
27,74.176,3.502,"D_xylose","1"
28,78.526,3.448,"D_xylose","1"
29,71.947,3.441,"D_xylose","1"
30,78.533,3.424,"D_xylose","1"
31,78.532,3.4,"D_xylose","1"
32,67.908,3.342,"D_xylose","1"
33,67.909,3.314,"D_xylose","1"
34,67.91,3.286,"D_xylose","1"
35,76.742,3.24,"D_xylose","1"
36,76.75,3.218,"D_xylose","1"
37,76.746,3.196,"D_xylose","1"
1,68.736,4.671,"D_xylulose","1"
2,68.738,4.622,"D_xylulose","1"
3,68.738,4.551,"D_xylulose","1"
4,68.738,4.503,"D_xylulose","1"
5,78.017,4.451,"D_xylulose","1"
6,77.566,4.379,"D_xylulose","1"
7,77.566,4.369,"D_xylulose","1"
8,78.545,4.274,"D_xylulose","1"
9,74.615,4.245,"D_xylulose","1"
10,74.618,4.224,"D_xylulose","1"
11,74.619,4.207,"D_xylulose","1"
12,72.518,4.205,"D_xylulose","1"
13,77.573,4.201,"D_xylulose","1"
14,72.516,4.185,"D_xylulose","1"
15,72.522,4.165,"D_xylulose","1"
16,83.188,4.079,"D_xylulose","1"
17,74.675,4.078,"D_xylulose","1"
18,78.912,4.045,"D_xylulose","1"
19,78.912,4.036,"D_xylulose","1"
20,74.618,3.901,"D_xylulose","1"
21,74.617,3.878,"D_xylulose","1"
22,65.123,3.717,"D_xylulose","1"
23,65.121,3.687,"D_xylulose","1"
24,64.567,3.674,"D_xylulose","1"
25,65.123,3.66,"D_xylulose","1"
26,64.568,3.651,"D_xylulose","1"
27,72.52,3.637,"D_xylulose","1"
28,65.689,3.63,"D_xylulose","1"
29,65.119,3.63,"D_xylulose","1"
30,72.519,3.62,"D_xylulose","1"
31,65.687,3.601,"D_xylulose","1"
32,65.688,3.576,"D_xylulose","1"
33,65.688,3.547,"D_xylulose","1"
1,128.294,5.962,"dehydro_proline","1"
2,71.125,4.89,"dehydro_proline","1"
3,55.099,4.265,"dehydro_proline","1"
4,55.102,4.228,"dehydro_proline","1"
5,55.102,4.145,"dehydro_proline","1"
6,55.105,4.106,"dehydro_proline","1"
1,68.087,4.544,"dihydroxyacetone_phosphate","1"
2,70.119,4.484,"dihydroxyacetone_phosphate","1"
3,70.143,4.469,"dihydroxyacetone_phosphate","1"
4,68.618,3.806,"dihydroxyacetone_phosphate","1"
5,68.673,3.786,"dihydroxyacetone_phosphate","1"
6,66.68,3.554,"dihydroxyacetone_phosphate","1"
1,105.051,4.595,"glyceraldehyde_3_phosphate","1"
2,67.315,3.972,"glyceraldehyde_3_phosphate","1"
3,67.322,3.949,"glyceraldehyde_3_phosphate","1"
4,67.316,3.839,"glyceraldehyde_3_phosphate","1"
5,66.819,3.829,"glyceraldehyde_3_phosphate","1"
6,67.331,3.822,"glyceraldehyde_3_phosphate","1"
7,66.803,3.81,"glyceraldehyde_3_phosphate","1"
8,67.347,3.802,"glyceraldehyde_3_phosphate","1"
9,66.816,3.791,"glyceraldehyde_3_phosphate","1"
10,67.353,3.783,"glyceraldehyde_3_phosphate","1"
11,66.824,3.773,"glyceraldehyde_3_phosphate","1"
12,74.126,3.767,"glyceraldehyde_3_phosphate","1"
13,67.384,3.734,"glyceraldehyde_3_phosphate","1"
14,66.805,3.734,"glyceraldehyde_3_phosphate","1"
15,66.795,3.716,"glyceraldehyde_3_phosphate","1"
16,67.381,3.714,"glyceraldehyde_3_phosphate","1"
17,67.364,3.696,"glyceraldehyde_3_phosphate","1"
18,66.797,3.697,"glyceraldehyde_3_phosphate","1"
19,66.789,3.678,"glyceraldehyde_3_phosphate","1"
20,66.784,3.665,"glyceraldehyde_3_phosphate","1"
21,17.103,1.232,"glyceraldehyde_3_phosphate","1"
22,17.114,1.221,"glyceraldehyde_3_phosphate","1"
1,103.716,5.256,"erythrose","1"
2,91.995,5.097,"erythrose","1"
3,73.067,4.394,"erythrose","1"
4,73.823,4.198,"erythrose","1"
5,78.979,4.026,"erythrose","1"
6,73.818,3.812,"erythrose","1"
7,73.827,3.786,"erythrose","1"
1,138.069,6.512,"fumaric_acid","1"
1,76.784,4.12,"gluconic_acid","1"
2,73.663,4.024,"gluconic_acid","1"
3,65.315,3.832,"gluconic_acid","1"
4,65.315,3.803,"gluconic_acid","1"
5,73.868,3.757,"gluconic_acid","1"
6,75.26,3.756,"gluconic_acid","1"
7,65.311,3.667,"gluconic_acid","1"
8,65.314,3.643,"gluconic_acid","1"
1,82.389,4.672,"gluconolactone","1"
2,75.705,4.58,"gluconolactone","1"
3,75.225,4.58,"gluconolactone","1"
4,84.165,4.231,"gluconolactone","1"
5,73.57,4.195,"gluconolactone","1"
6,73.568,4.177,"gluconolactone","1"
7,76.731,4.12,"gluconolactone","1"
8,73.029,4.085,"gluconolactone","1"
9,73.646,4.022,"gluconolactone","1"
10,62.644,3.95,"gluconolactone","1"
11,62.641,3.917,"gluconolactone","1"
12,75.294,3.878,"gluconolactone","1"
13,69.676,3.876,"gluconolactone","1"
14,62.641,3.865,"gluconolactone","1"
15,75.294,3.86,"gluconolactone","1"
16,69.676,3.859,"gluconolactone","1"
17,69.675,3.832,"gluconolactone","1"
18,65.324,3.83,"gluconolactone","1"
19,62.642,3.832,"gluconolactone","1"
20,65.316,3.802,"gluconolactone","1"
21,65.028,3.795,"gluconolactone","1"
22,75.25,3.754,"gluconolactone","1"
23,73.872,3.755,"gluconolactone","1"
24,65.32,3.665,"gluconolactone","1"
25,65.32,3.639,"gluconolactone","1"
1,96.547,5.453,"glucose_1_6_2p","1"
2,96.591,5.44,"glucose_1_6_2p","1"
3,64.946,4.811,"glucose_1_6_2p","1"
4,65.365,4.099,"glucose_1_6_2p","1"
5,65.373,4.078,"glucose_1_6_2p","1"
6,65.398,4.06,"glucose_1_6_2p","1"
7,74.36,3.954,"glucose_1_6_2p","1"
8,65.383,3.955,"glucose_1_6_2p","1"
9,74.361,3.928,"glucose_1_6_2p","1"
10,65.375,3.93,"glucose_1_6_2p","1"
11,75.349,3.804,"glucose_1_6_2p","1"
12,75.341,3.779,"glucose_1_6_2p","1"
13,75.352,3.755,"glucose_1_6_2p","1"
14,71.577,3.634,"glucose_1_6_2p","1"
15,71.583,3.609,"glucose_1_6_2p","1"
16,71.579,3.585,"glucose_1_6_2p","1"
17,75.026,3.532,"glucose_1_6_2p","1"
18,75.034,3.508,"glucose_1_6_2p","1"
1,96.337,5.454,"glucose_1P","1"
2,96.384,5.44,"glucose_1P","1"
3,62.442,4.805,"glucose_1P","1"
4,74.706,3.918,"glucose_1P","1"
5,74.708,3.905,"glucose_1P","1"
6,63.408,3.881,"glucose_1P","1"
7,63.409,3.851,"glucose_1P","1"
8,75.846,3.8,"glucose_1P","1"
9,75.849,3.775,"glucose_1P","1"
10,75.847,3.751,"glucose_1P","1"
11,63.41,3.755,"glucose_1P","1"
12,63.409,3.727,"glucose_1P","1"
13,74.906,3.487,"glucose_1P","1"
14,74.906,3.462,"glucose_1P","1"
15,72.448,3.414,"glucose_1P","1"
16,72.449,3.389,"glucose_1P","1"
17,72.451,3.365,"glucose_1P","1"
1,44.133,3.546,"glycine","1"
1,151.29,7.607,"guanine","4"
1,140.064,7.862,"guanosine","2"
2,90.665,5.86,"guanosine","2"
3,90.659,5.845,"guanosine","2"
4,75.974,4.76,"guanosine","2"
5,73.557,4.397,"guanosine","2"
6,88.531,4.252,"guanosine","2"
7,64.364,3.909,"guanosine","2"
8,64.354,3.877,"guanosine","2"
9,64.356,3.809,"guanosine","2"
10,64.353,3.778,"guanosine","2"
1,133.938,7.821,"hydroxybenzoic","1"
2,117.595,7.812,"hydroxybenzoic","1"
3,133.939,7.8,"hydroxybenzoic","1"
4,117.594,6.928,"hydroxybenzoic","1"
5,133.94,6.92,"hydroxybenzoic","1"
6,117.593,6.907,"hydroxybenzoic","1"
1,143.192,7.332,"hydroxycinnamic","1"
2,133.051,7.331,"hydroxycinnamic","1"
3,133.047,7.311,"hydroxycinnamic","1"
4,143.194,7.292,"hydroxycinnamic","1"
5,133.041,7.29,"hydroxycinnamic","1"
6,122.955,7.159,"hydroxycinnamic","1"
7,122.95,7.14,"hydroxycinnamic","1"
8,116.618,7.065,"hydroxycinnamic","1"
9,119.335,6.914,"hydroxycinnamic","1"
10,119.339,6.895,"hydroxycinnamic","1"
11,127.175,6.494,"hydroxycinnamic","1"
12,127.176,6.454,"hydroxycinnamic","1"
1,150.37,8.089,"hypoxanthine","2"
2,149.182,8.009,"hypoxanthine","2"
1,65.314,3.784,"i_erythritol","1"
2,65.315,3.756,"i_erythritol","1"
3,74.623,3.668,"i_erythritol","1"
4,65.31,3.637,"i_erythritol","1"
5,65.314,3.609,"i_erythritol","1"
1,137.781,8.113,"imidazole","1"
2,123.43,7.259,"imidazole","1"
1,123.375,7.659,"indole","5"
2,123.375,7.64,"indole","5"
3,113.676,7.377,"indole","5"
4,113.672,7.356,"indole","5"
5,124.622,7.213,"indole","5"
6,124.628,7.194,"indole","5"
7,124.619,7.174,"indole","5"
8,126.783,7.165,"indole","5"
9,122.451,7.137,"indole","5"
10,122.452,7.119,"indole","5"
11,122.453,7.1,"indole","5"
12,105.244,6.55,"indole","5"
1,142.883,8.314,"inosine","1"
2,148.917,8.192,"inosine","1"
3,91.108,6.072,"inosine","1"
4,91.107,6.065,"inosine","1"
5,76.779,4.755,"inosine","1"
6,73.097,4.443,"inosine","1"
7,88.277,4.281,"inosine","1"
8,64.029,3.944,"inosine","1"
9,64.025,3.913,"inosine","1"
10,64.02,3.865,"inosine","1"
11,64.021,3.834,"inosine","1"
1,53.195,3.798,"L_alanine","1"
2,53.196,3.781,"L_alanine","1"
3,53.203,3.763,"L_alanine","1"
4,53.192,3.746,"L_alanine","1"
5,18.839,1.48,"L_alanine","1"
6,53.224,1.47,"L_alanine","1"
7,18.836,1.462,"L_alanine","1"
1,57.032,3.765,"L_arginine","1"
2,43.2,3.258,"L_arginine","1"
3,26.575,3.255,"L_arginine","1"
4,43.2,3.243,"L_arginine","1"
6,26.607,3.238,"L_arginine","1"
7,43.199,3.226,"L_arginine","1"
8,30.302,1.92,"L_arginine","1"
9,30.3,1.902,"L_arginine","1"
10,26.576,1.908,"L_arginine","1"
11,26.577,1.727,"L_arginine","1"
12,26.578,1.708,"L_arginine","1"
13,26.585,1.687,"L_arginine","1"
14,26.592,1.664,"L_arginine","1"
15,26.59,1.648,"L_arginine","1"
1,54.002,3.993,"L_asparagine","1"
2,37.307,2.968,"L_asparagine","1"
3,37.305,2.925,"L_asparagine","1"
4,37.306,2.876,"L_asparagine","1"
5,37.306,2.857,"L_asparagine","1"
6,37.303,2.834,"L_asparagine","1"
7,37.306,2.815,"L_asparagine","1"
1,54.926,3.9,"L_aspartic_acid","1"
2,54.925,3.88,"L_aspartic_acid","1"
3,39.282,2.832,"L_aspartic_acid","1"
4,39.276,2.786,"L_aspartic_acid","1"
5,39.282,2.703,"L_aspartic_acid","1"
6,39.278,2.681,"L_aspartic_acid","1"
7,39.271,2.657,"L_aspartic_acid","1"
8,39.269,2.636,"L_aspartic_acid","1"
1,57.214,3.744,"L_citrulline","1"
2,41.932,3.137,"L_citrulline","1"
3,30.453,1.869,"L_citrulline","1"
4,30.456,1.816,"L_citrulline","1"
5,27.672,1.6,"L_citrulline","1"
6,27.672,1.579,"L_citrulline","1"
7,27.672,1.565,"L_citrulline","1"
8,27.671,1.549,"L_citrulline","1"
1,56.27,3.927,"L_cystathionine","1"
2,56.449,3.843,"L_cystathionine","1"
3,34.816,3.155,"L_cystathionine","1"
4,34.814,3.121,"L_cystathionine","1"
5,34.812,3.096,"L_cystathionine","1"
6,34.812,3.079,"L_cystathionine","1"
7,34.806,3.064,"L_cystathionine","1"
8,34.816,3.044,"L_cystathionine","1"
9,29.775,2.734,"L_cystathionine","1"
10,29.771,2.717,"L_cystathionine","1"
11,29.78,2.699,"L_cystathionine","1"
12,32.907,2.204,"L_cystathionine","1"
13,32.895,2.182,"L_cystathionine","1"
14,32.899,2.164,"L_cystathionine","1"
15,32.899,2.146,"L_cystathionine","1"
16,32.903,2.124,"L_cystathionine","1"
17,32.9,2.105,"L_cystathionine","1"
1,58.745,3.943,"L_cysteine","1"
2,27.692,3.102,"L_cysteine","1"
3,27.694,3.061,"L_cysteine","1"
4,27.693,3.048,"L_cysteine","1"
5,27.691,3.034,"L_cysteine","1"
6,27.689,2.995,"L_cysteine","1"
1,57.591,3.581,"L_cystine","2"
2,46.03,3.128,"L_cystine","2"
3,46.033,3.096,"L_cystine","2"
4,46.028,2.928,"L_cystine","2"
5,46.032,2.906,"L_cystine","2"
6,46.035,2.877,"L_cystine","2"
1,94.911,5.192,"L_fucose","1"
2,98.966,4.554,"L_fucose","1"
3,98.946,4.535,"L_fucose","1"
4,69.028,4.199,"L_fucose","1"
5,69.03,4.183,"L_fucose","1"
6,71.975,3.862,"L_fucose","1"
7,71.967,3.835,"L_fucose","1"
8,73.596,3.806,"L_fucose","1"
9,74.614,3.799,"L_fucose","1"
10,73.594,3.79,"L_fucose","1"
11,70.805,3.767,"L_fucose","1"
12,74.162,3.736,"L_fucose","1"
13,70.793,3.739,"L_fucose","1"
14,75.625,3.642,"L_fucose","1"
15,75.63,3.615,"L_fucose","1"
16,74.381,3.46,"L_fucose","1"
17,74.384,3.437,"L_fucose","1"
18,74.382,3.414,"L_fucose","1"
19,18.248,1.247,"L_fucose","1"
20,73.595,1.238,"L_fucose","1"
21,18.236,1.232,"L_fucose","1"
22,18.228,1.207,"L_fucose","1"
23,18.221,1.191,"L_fucose","1"
1,57.349,3.749,"L_glutamic_acid","1"
2,29.679,3.751,"L_glutamic_acid","1"
3,36.173,2.404,"L_glutamic_acid","1"
4,36.18,2.363,"L_glutamic_acid","1"
5,29.684,2.353,"L_glutamic_acid","1"
6,36.177,2.344,"L_glutamic_acid","1"
7,29.664,2.333,"L_glutamic_acid","1"
8,36.176,2.325,"L_glutamic_acid","1"
9,36.166,2.303,"L_glutamic_acid","1"
10,29.688,2.151,"L_glutamic_acid","1"
11,29.682,2.134,"L_glutamic_acid","1"
12,36.232,2.115,"L_glutamic_acid","1"
13,29.68,2.115,"L_glutamic_acid","1"
14,29.682,2.098,"L_glutamic_acid","1"
15,29.688,2.076,"L_glutamic_acid","1"
16,36.141,2.064,"L_glutamic_acid","1"
17,29.69,2.055,"L_glutamic_acid","1"
18,29.69,2.037,"L_glutamic_acid","1"
19,29.687,2.019,"L_glutamic_acid","1"
20,29.668,2.002,"L_glutamic_acid","1"
1,56.842,3.765,"L_glutamine","1"
2,33.53,2.448,"L_glutamine","1"
3,28.955,2.139,"L_glutamine","1"
4,28.954,2.121,"L_glutamine","1"
5,28.95,2.104,"L_glutamine","1"
1,138.985,7.797,"L_histidine","1"
2,119.806,7.081,"L_histidine","1"
3,119.553,7.062,"L_histidine","1"
4,57.468,3.982,"L_histidine","1"
5,30.763,3.251,"L_histidine","1"
6,30.772,3.216,"L_histidine","1"
7,30.749,3.153,"L_histidine","1"
8,57.438,3.147,"L_histidine","1"
9,30.791,3.133,"L_histidine","1"
10,30.84,3.115,"L_histidine","1"
11,30.841,3.095,"L_histidine","1"
1,56.075,3.846,"L_homoserine","1"
2,61.34,3.773,"L_homoserine","1"
3,34.893,2.179,"L_homoserine","1"
4,34.892,2.142,"L_homoserine","1"
5,34.89,2.129,"L_homoserine","1"
6,34.893,2.044,"L_homoserine","1"
7,34.892,2.027,"L_homoserine","1"
8,34.891,2.009,"L_homoserine","1"
9,34.892,1.992,"L_homoserine","1"
1,62.249,3.66,"L_isoleucine","1"
2,38.594,3.663,"L_isoleucine","1"
3,38.591,1.975,"L_isoleucine","1"
4,27.158,1.479,"L_isoleucine","1"
5,27.153,1.466,"L_isoleucine","1"
6,27.149,1.45,"L_isoleucine","1"
7,27.137,1.31,"L_isoleucine","1"
8,27.145,1.291,"L_isoleucine","1"
9,27.148,1.27,"L_isoleucine","1"
10,27.143,1.252,"L_isoleucine","1"
11,27.153,1.218,"L_isoleucine","1"
12,17.423,1.057,"L_isoleucine","1"
13,17.406,1.012,"L_isoleucine","1"
14,38.588,1.005,"L_isoleucine","1"
15,17.407,0.995,"L_isoleucine","1"
17,14.815,0.988,"L_isoleucine","1"
18,13.812,0.951,"L_isoleucine","1"
19,27.162,0.944,"L_isoleucine","1"
20,13.802,0.932,"L_isoleucine","1"
21,27.159,0.924,"L_isoleucine","1"
22,13.789,0.913,"L_isoleucine","1"
1,56.132,3.736,"L_leucine","1"
2,56.132,3.721,"L_leucine","1"
3,42.533,1.743,"L_leucine","1"
4,26.873,1.72,"L_leucine","1"
5,42.53,1.716,"L_leucine","1"
6,26.869,1.706,"L_leucine","1"
7,42.525,1.702,"L_leucine","1"
8,42.518,1.672,"L_leucine","1"
9,24.738,0.96,"L_leucine","1"
10,23.588,0.949,"L_leucine","1"
1,32.622,3.756,"L_lysine","1"
2,57.194,3.749,"L_lysine","1"
3,32.614,3.748,"L_lysine","1"
4,23.366,3.744,"L_lysine","1"
5,57.16,3.711,"L_lysine","1"
6,41.767,3.036,"L_lysine","1"
7,29.111,3.03,"L_lysine","1"
8,41.766,3.019,"L_lysine","1"
11,29.139,3.014,"L_lysine","1"
12,41.766,3.001,"L_lysine","1"
13,32.616,1.908,"L_lysine","1"
14,24.133,1.899,"L_lysine","1"
15,32.618,1.892,"L_lysine","1"
16,29.12,1.74,"L_lysine","1"
17,41.777,1.732,"L_lysine","1"
18,24.129,1.731,"L_lysine","1"
19,29.117,1.722,"L_lysine","1"
20,41.772,1.712,"L_lysine","1"
21,24.122,1.712,"L_lysine","1"
22,29.117,1.703,"L_lysine","1"
23,24.136,1.509,"L_lysine","1"
24,24.14,1.49,"L_lysine","1"
25,24.146,1.469,"L_lysine","1"
26,24.147,1.449,"L_lysine","1"
27,24.149,1.431,"L_lysine","1"
1,56.593,3.851,"L_methionine","1"
2,31.519,2.654,"L_methionine","1"
3,31.52,2.635,"L_methionine","1"
4,31.518,2.616,"L_methionine","1"
5,32.407,2.204,"L_methionine","1"
6,32.406,2.187,"L_methionine","1"
7,32.402,2.169,"L_methionine","1"
8,32.403,2.14,"L_methionine","1"
9,16.635,2.127,"L_methionine","1"
10,32.402,2.122,"L_methionine","1"
11,32.401,2.104,"L_methionine","1"
12,32.397,2.086,"L_methionine","1"
1,131.846,7.439,"L_phenylalanine","1"
2,131.839,7.42,"L_phenylalanine","1"
3,130.446,7.406,"L_phenylalanine","1"
4,131.825,7.403,"L_phenylalanine","1"
5,131.787,7.382,"L_phenylalanine","1"
6,130.434,7.382,"L_phenylalanine","1"
7,130.411,7.366,"L_phenylalanine","1"
8,130.38,7.349,"L_phenylalanine","1"
9,132.078,7.327,"L_phenylalanine","1"
10,132.067,7.309,"L_phenylalanine","1"
11,58.756,3.978,"L_phenylalanine","1"
12,39.124,3.298,"L_phenylalanine","1"
13,39.12,3.263,"L_phenylalanine","1"
14,39.12,3.142,"L_phenylalanine","1"
15,39.116,3.122,"L_phenylalanine","1"
16,39.095,3.108,"L_phenylalanine","1"
17,39.086,3.086,"L_phenylalanine","1"
1,63.917,4.137,"L_proline","1"
2,63.925,4.121,"L_proline","1"
3,63.922,4.103,"L_proline","1"
4,48.77,3.446,"L_proline","1"
5,48.772,3.401,"L_proline","1"
6,48.78,3.385,"L_proline","1"
7,48.767,3.357,"L_proline","1"
8,48.767,3.338,"L_proline","1"
9,48.767,3.324,"L_proline","1"
10,48.775,3.296,"L_proline","1"
11,31.675,2.388,"L_proline","1"
12,31.695,2.366,"L_proline","1"
13,31.685,2.336,"L_proline","1"
14,31.685,2.319,"L_proline","1"
15,31.692,2.09,"L_proline","1"
16,31.693,2.073,"L_proline","1"
17,31.694,2.057,"L_proline","1"
18,31.699,2.037,"L_proline","1"
19,26.45,2,"L_proline","1"
20,31.671,2,"L_proline","1"
21,26.454,1.994,"L_proline","1"
1,62.9,3.994,"L_serine","1"
2,62.894,3.958,"L_serine","1"
3,59.092,3.948,"L_serine","1"
4,62.886,3.91,"L_serine","1"
5,62.884,3.838,"L_serine","1"
6,59.092,3.831,"L_serine","1"
1,68.645,4.244,"L_threonine","1"
2,63.156,3.577,"L_threonine","1"
3,22.16,1.35,"L_threonine","1"
4,22.155,1.329,"L_threonine","1"
5,68.646,1.322,"L_threonine","1"
6,22.153,1.313,"L_threonine","1"
1,121.166,7.736,"L_tryptophan","1"
2,122.217,7.727,"L_tryptophan","1"
3,121.161,7.715,"L_tryptophan","1"
4,114.679,7.542,"L_tryptophan","1"
5,124.841,7.532,"L_tryptophan","1"
6,114.668,7.52,"L_tryptophan","1"
7,127.774,7.304,"L_tryptophan","1"
8,124.848,7.296,"L_tryptophan","1"
9,124.835,7.277,"L_tryptophan","1"
10,122.248,7.264,"L_tryptophan","1"
11,124.819,7.256,"L_tryptophan","1"
12,122.198,7.213,"L_tryptophan","1"
13,124.818,7.208,"L_tryptophan","1"
14,122.187,7.194,"L_tryptophan","1"
15,122.154,7.174,"L_tryptophan","1"
16,57.765,4.04,"L_tryptophan","1"
17,29.112,3.495,"L_tryptophan","1"
18,29.119,3.459,"L_tryptophan","1"
19,29.105,3.323,"L_tryptophan","1"
20,29.128,3.302,"L_tryptophan","1"
21,29.147,3.285,"L_tryptophan","1"
22,29.147,3.265,"L_tryptophan","1"
1,63.066,3.599,"L_valine","1"
2,31.807,2.274,"L_valine","1"
3,31.808,2.261,"L_valine","1"
4,20.649,1.044,"L_valine","1"
6,19.407,1.038,"L_valine","1"
7,31.813,1.035,"L_valine","1"
8,20.646,1.027,"L_valine","1"
9,19.444,1.017,"L_valine","1"
10,19.349,0.991,"L_valine","1"
11,31.807,0.983,"L_valine","1"
12,20.128,0.986,"L_valine","1"
13,19.343,0.974,"L_valine","1"
14,20.094,0.967,"L_valine","1"
15,18.474,0.967,"L_valine","1"
1,73.058,4.305,"L_malate","1"
2,73.053,4.279,"L_malate","1"
3,45.309,2.684,"L_malate","1"
4,45.307,2.645,"L_malate","1"
5,45.314,2.394,"L_malate","1"
6,45.305,2.366,"L_malate","1"
7,45.299,2.329,"L_malate","1"
1,65.922,3.874,"mannitol","1"
2,65.921,3.843,"mannitol","1"
3,71.935,3.803,"mannitol","1"
4,73.496,3.785,"mannitol","1"
5,71.934,3.78,"mannitol","1"
6,73.496,3.749,"mannitol","1"
7,73.494,3.728,"mannitol","1"
8,65.916,3.686,"mannitol","1"
9,65.916,3.674,"mannitol","1"
10,65.916,3.658,"mannitol","1"
11,65.917,3.645,"mannitol","1"
1,65.324,3.784,"meso_erythritol","1"
2,65.324,3.755,"meso_erythritol","1"
3,74.626,3.667,"meso_erythritol","1"
4,65.325,3.659,"meso_erythritol","1"
5,65.319,3.637,"meso_erythritol","1"
6,65.321,3.608,"meso_erythritol","1"
1,39.712,3.031,"methyl_oxobutanoic_acid","1"
2,39.712,3.013,"methyl_oxobutanoic_acid","1"
3,39.719,2.996,"methyl_oxobutanoic_acid","1"
4,39.684,2.979,"methyl_oxobutanoic_acid","1"
5,19.065,1.125,"methyl_oxobutanoic_acid","1"
6,39.719,1.117,"methyl_oxobutanoic_acid","1"
7,19.063,1.108,"methyl_oxobutanoic_acid","1"
8,18.345,0.895,"methyl_oxobutanoic_acid","1"
9,18.328,0.878,"methyl_oxobutanoic_acid","1"
1,72.884,4.001,"muco_inositol","1"
2,75.015,3.875,"muco_inositol","1"
3,75.013,3.869,"muco_inositol","1"
1,73.84,4.054,"myo_inositol","1"
2,75.125,4.052,"myo_inositol","1"
3,74.891,4.052,"myo_inositol","1"
4,75.102,3.639,"myo_inositol","1"
5,73.844,3.633,"myo_inositol","1"
6,75.108,3.616,"myo_inositol","1"
7,73.839,3.617,"myo_inositol","1"
8,73.839,3.6,"myo_inositol","1"
9,75.108,3.593,"myo_inositol","1"
10,73.839,3.535,"myo_inositol","1"
11,75.105,3.529,"myo_inositol","1"
12,73.84,3.51,"myo_inositol","1"
13,77.059,3.29,"myo_inositol","1"
14,77.054,3.269,"myo_inositol","1"
15,77.048,3.246,"myo_inositol","1"
1,95.834,5.117,"N_acetyl_D_mannosamine","1"
2,95.695,5.021,"N_acetyl_D_mannosamine","1"
3,56.798,4.444,"N_acetyl_D_mannosamine","1"
4,55.918,4.316,"N_acetyl_D_mannosamine","1"
5,71.563,4.058,"N_acetyl_D_mannosamine","1"
6,71.562,4.032,"N_acetyl_D_mannosamine","1"
7,63.077,3.899,"N_acetyl_D_mannosamine","1"
8,74.702,3.868,"N_acetyl_D_mannosamine","1"
9,63.08,3.869,"N_acetyl_D_mannosamine","1"
10,74.722,3.842,"N_acetyl_D_mannosamine","1"
11,63.09,3.839,"N_acetyl_D_mannosamine","1"
12,74.76,3.809,"N_acetyl_D_mannosamine","1"
13,63.082,3.792,"N_acetyl_D_mannosamine","1"
14,69.468,3.642,"N_acetyl_D_mannosamine","1"
15,69.474,3.618,"N_acetyl_D_mannosamine","1"
16,69.473,3.594,"N_acetyl_D_mannosamine","1"
17,69.208,3.543,"N_acetyl_D_mannosamine","1"
18,69.201,3.518,"N_acetyl_D_mannosamine","1"
19,69.208,3.492,"N_acetyl_D_mannosamine","1"
20,79.055,3.421,"N_acetyl_D_mannosamine","1"
21,79.053,3.397,"N_acetyl_D_mannosamine","1"
22,24.748,2.086,"N_acetyl_D_mannosamine","1"
23,24.623,2.047,"N_acetyl_D_mannosamine","1"
1,70.012,4.02,"N_acetylneuraminic_acid","1"
2,72.914,3.992,"N_acetylneuraminic_acid","1"
3,70.013,3.994,"N_acetylneuraminic_acid","1"
4,72.913,3.965,"N_acetylneuraminic_acid","1"
5,54.98,3.93,"N_acetylneuraminic_acid","1"
6,54.978,3.905,"N_acetylneuraminic_acid","1"
7,54.978,3.879,"N_acetylneuraminic_acid","1"
8,66.009,3.851,"N_acetylneuraminic_acid","1"
9,66.01,3.823,"N_acetylneuraminic_acid","1"
10,73.019,3.753,"N_acetylneuraminic_acid","1"
11,73.015,3.737,"N_acetylneuraminic_acid","1"
12,66.007,3.623,"N_acetylneuraminic_acid","1"
13,66.006,3.605,"N_acetylneuraminic_acid","1"
14,66.007,3.583,"N_acetylneuraminic_acid","1"
15,71.265,3.517,"N_acetylneuraminic_acid","1"
16,71.267,3.493,"N_acetylneuraminic_acid","1"
17,42.099,2.224,"N_acetylneuraminic_acid","1"
18,42.097,2.196,"N_acetylneuraminic_acid","1"
19,24.826,2.047,"N_acetylneuraminic_acid","1"
20,42.097,1.848,"N_acetylneuraminic_acid","1"
21,42.098,1.818,"N_acetylneuraminic_acid","1"
22,42.096,1.789,"N_acetylneuraminic_acid","1"
1,142.65,9.333,"NAD","1"
2,145.057,9.141,"NAD","1"
3,148.439,8.837,"NAD","1"
4,148.46,8.818,"NAD","1"
5,142.401,8.403,"NAD","1"
6,131.34,8.209,"NAD","1"
7,131.334,8.193,"NAD","1"
8,131.335,8.178,"NAD","1"
9,155.475,8.099,"NAD","1"
10,102.727,6.083,"NAD","1"
11,89.343,6.011,"NAD","1"
12,76.664,4.764,"NAD","1"
13,89.689,4.547,"NAD","1"
14,73.071,4.511,"NAD","1"
15,80.299,4.492,"NAD","1"
16,80.238,4.443,"NAD","1"
17,73.277,4.435,"NAD","1"
18,73.2,4.398,"NAD","1"
19,86.55,4.385,"NAD","1"
20,67.631,4.387,"NAD","1"
21,67.626,4.358,"NAD","1"
22,68.098,4.281,"NAD","1"
23,68.005,4.252,"NAD","1"
24,68.062,4.227,"NAD","1"
1,142.352,8.464,"NADH","1"
2,155.41,8.195,"NADH","1"
3,141.132,6.932,"NADH","1"
4,89.795,6.111,"NADH","1"
5,126.405,5.988,"NADH","1"
6,126.411,5.969,"NADH","1"
7,97.739,4.794,"NADH","1"
8,108.036,4.776,"NADH","1"
9,97.744,4.777,"NADH","1"
10,108.033,4.763,"NADH","1"
11,77.254,4.702,"NADH","1"
12,72.938,4.51,"NADH","1"
13,86.375,4.382,"NADH","1"
14,67.865,4.282,"NADH","1"
15,67.872,4.253,"NADH","1"
16,67.88,4.238,"NADH","1"
17,73.315,4.225,"NADH","1"
18,73.437,4.196,"NADH","1"
19,73.465,4.181,"NADH","1"
20,85.104,4.091,"NADH","1"
21,68.65,4.08,"NADH","1"
22,24.548,2.758,"NADH","1"
23,24.578,2.688,"NADH","1"
1,142.794,8.47,"NADPH","1"
2,155.385,8.226,"NADPH","1"
3,141.07,6.927,"NADPH","1"
4,89.519,6.207,"NADPH","1"
5,89.271,6.092,"NADPH","1"
6,126.472,5.97,"NADPH","1"
7,126.471,5.95,"NADPH","1"
8,78.94,4.987,"NADPH","1"
9,79.251,4.945,"NADPH","1"
10,108.01,4.797,"NADPH","1"
11,108.012,4.784,"NADPH","1"
12,97.694,4.769,"NADPH","1"
13,97.702,4.752,"NADPH","1"
14,72.734,4.593,"NADPH","1"
15,89.74,4.493,"NADPH","1"
16,85.648,4.382,"NADPH","1"
17,67.974,4.307,"NADPH","1"
18,67.973,4.28,"NADPH","1"
19,73.326,4.214,"NADPH","1"
20,67.974,4.207,"NADPH","1"
21,67.977,4.186,"NADPH","1"
22,73.466,4.177,"NADPH","1"
23,73.474,4.164,"NADPH","1"
24,85.131,4.056,"NADPH","1"
25,68.537,4.036,"NADPH","1"
26,24.608,2.809,"NADPH","1"
27,24.667,2.751,"NADPH","1"
1,151.745,8.931,"niacin","1"
2,153.147,8.599,"niacin","1"
3,140.399,8.251,"niacin","1"
4,140.4,8.232,"niacin","1"
5,126.652,7.511,"niacin","1"
1,151.812,8.67,"nicotine","1"
2,152.956,8.646,"nicotine","1"
3,139.987,8.064,"nicotine","1"
4,139.984,8.043,"nicotine","1"
5,127.626,7.616,"nicotine","1"
6,127.621,7.605,"nicotine","1"
7,72.406,4.443,"nicotine","1"
8,72.405,4.422,"nicotine","1"
9,72.407,4.399,"nicotine","1"
10,58.776,3.82,"nicotine","1"
11,58.778,3.807,"nicotine","1"
12,58.778,3.795,"nicotine","1"
13,58.773,3.352,"nicotine","1"
14,58.775,3.329,"nicotine","1"
15,58.777,3.304,"nicotine","1"
16,58.78,3.281,"nicotine","1"
17,40.93,2.75,"nicotine","1"
18,33.04,2.623,"nicotine","1"
19,33.067,2.607,"nicotine","1"
20,33.087,2.592,"nicotine","1"
21,33.089,2.579,"nicotine","1"
22,33.084,2.406,"nicotine","1"
23,33.106,2.381,"nicotine","1"
24,33.128,2.359,"nicotine","1"
25,24.215,2.301,"nicotine","1"
1,64.463,4.265,"O_succinyl_L_homoserine","1"
2,55.523,3.845,"O_succinyl_L_homoserine","1"
3,33.208,2.614,"O_succinyl_L_homoserine","1"
4,33.211,2.6,"O_succinyl_L_homoserine","1"
5,34.645,2.475,"O_succinyl_L_homoserine","1"
6,34.643,2.459,"O_succinyl_L_homoserine","1"
7,32.051,2.299,"O_succinyl_L_homoserine","1"
8,32.052,2.289,"O_succinyl_L_homoserine","1"
9,32.06,2.2,"O_succinyl_L_homoserine","1"
10,32.057,2.187,"O_succinyl_L_homoserine","1"
11,32.051,2.17,"O_succinyl_L_homoserine","1"
12,32.049,2.151,"O_succinyl_L_homoserine","1"
1,102.859,5.358,"phosphoenolpyruvic_acid","1"
2,102.857,5.179,"phosphoenolpyruvic_acid","1"
1,134.019,6.043,"prephenic_acid","1"
2,134.012,6.017,"prephenic_acid","1"
3,130.365,5.942,"prephenic_acid","1"
4,130.363,5.916,"prephenic_acid","1"
5,64.072,4.516,"prephenic_acid","1"
6,50.661,3.137,"prephenic_acid","1"
1,41.548,3.047,"putrescine","1"
2,26.607,1.763,"putrescine","1"
1,126.826,7.755,"pyridoxal_5_phosphate","1"
2,91.451,6.244,"pyridoxal_5_phosphate","1"
3,64.442,5.09,"pyridoxal_5_phosphate","1"
4,63.059,4.88,"pyridoxal_5_phosphate","1"
5,18.719,2.466,"pyridoxal_5_phosphate","1"
6,18.211,2.463,"pyridoxal_5_phosphate","1"
7,17.39,2.437,"pyridoxal_5_phosphate","1"
1,120.074,7.587,"pyridoxal","1"
2,102.038,6.562,"pyridoxal","1"
3,101.985,6.498,"pyridoxal","1"
4,72.515,5.266,"pyridoxal","1"
5,72.523,5.234,"pyridoxal","1"
6,72.526,5.078,"pyridoxal","1"
7,72.523,5.045,"pyridoxal","1"
8,17.492,2.477,"pyridoxal","1"
9,17.04,2.478,"pyridoxal","1"
1,126.003,7.649,"pyridoxamine_5_phosphate","1"
2,64.316,4.857,"pyridoxamine_5_phosphate","1"
3,64.352,4.843,"pyridoxamine_5_phosphate","1"
4,38.945,4.32,"pyridoxamine_5_phosphate","1"
6,17.747,2.467,"pyridoxamine_5_phosphate","1"
7,19.036,2.459,"pyridoxamine_5_phosphate","1"
1,126.661,7.613,"pyridoxamine","1"
2,126.438,7.462,"pyridoxamine","1"
4,61.836,4.706,"pyridoxamine","1"
5,39.233,4.305,"pyridoxamine","1"
6,39.79,4.265,"pyridoxamine","1"
8,17.433,2.468,"pyridoxamine","1"
9,18.114,2.465,"pyridoxamine","1"
10,17.317,2.433,"pyridoxamine","1"
11,18.154,2.321,"pyridoxamine","1"
1,29.164,2.366,"pyruvic_acid","1"
2,28.729,2.358,"pyruvic_acid","1"
3,27.892,1.476,"pyruvic_acid","1"
1,74.804,3.812,"adonitol","1"
2,65.076,3.813,"adonitol","1"
3,65.072,3.783,"adonitol","1"
4,74.894,3.687,"adonitol","1"
5,65.071,3.668,"adonitol","1"
6,65.07,3.645,"adonitol","1"
7,65.071,3.618,"adonitol","1"
1,142.649,8.336,"S_adenosylmethionine","1"
2,143.357,8.285,"S_adenosylmethionine","1"
3,155.551,8.221,"S_adenosylmethionine","1"
4,155.494,8.169,"S_adenosylmethionine","1"
5,91.794,6.105,"S_adenosylmethionine","1"
6,90.054,6.054,"S_adenosylmethionine","1"
7,75.287,4.961,"S_adenosylmethionine","1"
8,76.181,4.839,"S_adenosylmethionine","1"
9,75.451,4.612,"S_adenosylmethionine","1"
10,80.888,4.608,"S_adenosylmethionine","1"
11,81.456,4.604,"S_adenosylmethionine","1"
12,80.897,4.589,"S_adenosylmethionine","1"
13,75.069,4.429,"S_adenosylmethionine","1"
14,85.972,4.359,"S_adenosylmethionine","1"
15,46.963,4.097,"S_adenosylmethionine","1"
16,46.98,4.063,"S_adenosylmethionine","1"
17,80.922,4.051,"S_adenosylmethionine","1"
18,47.001,4.041,"S_adenosylmethionine","1"
19,46.963,3.995,"S_adenosylmethionine","1"
20,46.987,3.962,"S_adenosylmethionine","1"
21,46.99,3.928,"S_adenosylmethionine","1"
22,61.409,3.814,"S_adenosylmethionine","1"
23,55.685,3.779,"S_adenosylmethionine","1"
24,55.714,3.764,"S_adenosylmethionine","1"
25,60.201,3.691,"S_adenosylmethionine","1"
26,41.63,3.676,"S_adenosylmethionine","1"
27,60.206,3.672,"S_adenosylmethionine","1"
28,60.217,3.655,"S_adenosylmethionine","1"
29,41.619,3.65,"S_adenosylmethionine","1"
30,41.759,3.592,"S_adenosylmethionine","1"
31,41.663,3.52,"S_adenosylmethionine","1"
32,41.637,3.5,"S_adenosylmethionine","1"
33,41.633,3.486,"S_adenosylmethionine","1"
34,41.619,3.473,"S_adenosylmethionine","1"
35,41.62,3.451,"S_adenosylmethionine","1"
36,51.663,3.384,"S_adenosylmethionine","1"
37,47.263,3.182,"S_adenosylmethionine","1"
38,39.342,3.147,"S_adenosylmethionine","1"
39,49.652,3.139,"S_adenosylmethionine","1"
40,49.671,3.127,"S_adenosylmethionine","1"
41,26.122,3.016,"S_adenosylmethionine","1"
42,25.627,3.013,"S_adenosylmethionine","1"
43,38.594,2.996,"S_adenosylmethionine","1"
44,26.497,2.976,"S_adenosylmethionine","1"
45,38.601,2.96,"S_adenosylmethionine","1"
46,38.624,2.944,"S_adenosylmethionine","1"
47,28.457,2.33,"S_adenosylmethionine","1"
48,18.088,2.146,"S_adenosylmethionine","1"
49,19.569,1.211,"S_adenosylmethionine","1"
1,76.289,3.339,"scyllo_inositol","1"
1,133.207,6.431,"shikimic_acid","1"
2,68.985,4.39,"shikimic_acid","1"
3,69.523,3.986,"shikimic_acid","1"
4,69.527,3.97,"shikimic_acid","1"
5,74.741,3.709,"shikimic_acid","1"
6,74.744,3.686,"shikimic_acid","1"
7,35.369,2.787,"shikimic_acid","1"
8,35.371,2.742,"shikimic_acid","1"
9,35.373,2.221,"shikimic_acid","1"
10,35.374,2.203,"shikimic_acid","1"
11,35.376,2.176,"shikimic_acid","1"
12,35.365,2.157,"shikimic_acid","1"
1,75.64,3.838,"sorbitol","1"
2,72.35,3.837,"sorbitol","1"
3,65.515,3.838,"sorbitol","1"
4,65.517,3.807,"sorbitol","1"
5,73.678,3.769,"sorbitol","1"
6,65.116,3.746,"sorbitol","1"
7,65.115,3.716,"sorbitol","1"
8,65.514,3.666,"sorbitol","1"
9,73.781,3.654,"sorbitol","1"
10,65.516,3.65,"sorbitol","1"
11,73.787,3.633,"sorbitol","1"
12,65.515,3.624,"sorbitol","1"
13,65.118,3.629,"sorbitol","1"
14,65.116,3.602,"sorbitol","1"
1,47.263,3.182,"spermidine","1"
2,47.264,3.164,"spermidine","1"
3,47.265,3.145,"spermidine","1"
4,39.306,3.13,"spermidine","1"
5,49.767,3.123,"spermidine","1"
6,39.306,3.112,"spermidine","1"
7,39.307,3.093,"spermidine","1"
8,41.515,3.062,"spermidine","1"
9,41.517,3.047,"spermidine","1"
10,26.532,2.124,"spermidine","1"
11,26.532,2.106,"spermidine","1"
12,26.532,2.087,"spermidine","1"
13,25.498,1.786,"spermidine","1"
14,26.647,1.776,"spermidine","1"
1,40.704,2.848,"spermine","1"
2,48.344,2.83,"spermine","1"
3,40.704,2.831,"spermine","1"
4,48.344,2.813,"spermine","1"
5,40.705,2.814,"spermine","1"
6,48.345,2.795,"spermine","1"
7,50.465,2.776,"spermine","1"
8,30.832,1.81,"spermine","1"
9,30.834,1.793,"spermine","1"
10,30.835,1.776,"spermine","1"
11,27.695,1.607,"spermine","1"
1,36.897,2.398,"succinic_acid","1"
1,94.881,5.404,"sucrose","1"
2,79.091,4.22,"sucrose","1"
3,76.69,4.211,"sucrose","1"
4,79.086,4.197,"sucrose","1"
5,76.698,4.066,"sucrose","1"
6,76.696,4.044,"sucrose","1"
7,76.688,4.022,"sucrose","1"
8,84.057,3.885,"sucrose","1"
9,75.1,3.849,"sucrose","1"
10,84.061,3.815,"sucrose","1"
11,75.101,3.818,"sucrose","1"
12,65.061,3.815,"sucrose","1"
13,62.813,3.808,"sucrose","1"
14,75.264,3.78,"sucrose","1"
15,75.265,3.755,"sucrose","1"
16,75.268,3.73,"sucrose","1"
17,64.039,3.67,"sucrose","1"
18,73.762,3.563,"sucrose","1"
19,73.763,3.537,"sucrose","1"
20,71.898,3.486,"sucrose","1"
21,71.905,3.463,"sucrose","1"
22,71.912,3.439,"sucrose","1"
1,38.09,3.429,"taurine","1"
2,38.081,3.414,"taurine","1"
3,50.205,3.264,"taurine","1"
4,50.207,3.251,"taurine","1"
1,74.308,3.703,"threitol","1"
2,65.335,3.702,"threitol","1"
3,65.329,3.67,"threitol","1"
4,65.327,3.629,"threitol","1"
5,65.324,3.614,"threitol","1"
1,99.202,5.407,"threose","1"
2,104.728,5.249,"threose","1"
3,92.377,5.033,"threose","1"
4,92.379,5.018,"threose","1"
5,77.449,4.311,"threose","1"
6,77.701,4.227,"threose","1"
7,75.603,4.223,"threose","1"
8,73.078,4.205,"threose","1"
9,75.607,4.199,"threose","1"
10,77.7,4.196,"threose","1"
11,73.081,4.186,"threose","1"
12,73.076,4.174,"threose","1"
13,83.256,4.058,"threose","1"
14,78.767,4.048,"threose","1"
15,75.604,3.973,"threose","1"
16,75.601,3.949,"threose","1"
17,73.442,3.887,"threose","1"
18,73.08,3.67,"threose","1"
19,65.534,3.662,"threose","1"
20,73.082,3.645,"threose","1"
21,65.522,3.64,"threose","1"
22,75.827,3.471,"threose","1"
23,75.825,3.462,"threose","1"
1,72.776,4.66,"trans_4_hydroxy_L_proline","1"
2,62.533,4.361,"trans_4_hydroxy_L_proline","1"
3,62.532,4.338,"trans_4_hydroxy_L_proline","1"
4,62.533,4.315,"trans_4_hydroxy_L_proline","1"
5,55.649,3.492,"trans_4_hydroxy_L_proline","1"
6,55.652,3.46,"trans_4_hydroxy_L_proline","1"
7,55.65,3.371,"trans_4_hydroxy_L_proline","1"
8,55.651,3.338,"trans_4_hydroxy_L_proline","1"
9,40.145,2.455,"trans_4_hydroxy_L_proline","1"
10,40.149,2.423,"trans_4_hydroxy_L_proline","1"
11,40.146,2.4,"trans_4_hydroxy_L_proline","1"
12,40.145,2.181,"trans_4_hydroxy_L_proline","1"
13,40.144,2.151,"trans_4_hydroxy_L_proline","1"
14,40.144,2.121,"trans_4_hydroxy_L_proline","1"
1,130.417,7.623,"trans_cinnamic_acid","1"
2,130.415,7.607,"trans_cinnamic_acid","1"
3,131.7,7.45,"trans_cinnamic_acid","1"
4,132.328,7.432,"trans_cinnamic_acid","1"
5,131.697,7.433,"trans_cinnamic_acid","1"
6,143.563,7.409,"trans_cinnamic_acid","1"
7,132.329,7.399,"trans_cinnamic_acid","1"
8,143.563,7.368,"trans_cinnamic_acid","1"
9,126.831,6.536,"trans_cinnamic_acid","1"
10,126.831,6.496,"trans_cinnamic_acid","1"
1,95.918,5.188,"trehalose","1"
2,75.215,3.872,"trehalose","1"
3,63.228,3.87,"trehalose","1"
4,75.206,3.847,"trehalose","1"
5,74.922,3.838,"trehalose","1"
6,63.229,3.84,"trehalose","1"
7,74.892,3.821,"trehalose","1"
8,74.866,3.803,"trehalose","1"
9,74.861,3.775,"trehalose","1"
10,63.221,3.771,"trehalose","1"
11,63.226,3.745,"trehalose","1"
12,73.754,3.655,"trehalose","1"
13,75.214,3.644,"trehalose","1"
14,73.753,3.629,"trehalose","1"
15,72.387,3.466,"trehalose","1"
16,72.387,3.442,"trehalose","1"
17,72.387,3.418,"trehalose","1"
1,142.991,7.724,"xanthine","2"
1,140.071,7.87,"xanthosine","2"
2,90.673,5.868,"xanthosine","2"
3,90.667,5.854,"xanthosine","2"
4,75.979,4.773,"xanthosine","2"
5,73.567,4.407,"xanthosine","2"
6,88.538,4.262,"xanthosine","2"
7,64.367,3.918,"xanthosine","2"
8,64.361,3.887,"xanthosine","2"
9,64.364,3.819,"xanthosine","2"
10,64.361,3.787,"xanthosine","2"
1,74.631,3.796,"xylitol","1"
2,65.33,3.729,"xylitol","1"
3,65.328,3.698,"xylitol","1"
4,65.327,3.658,"xylitol","1"
5,65.326,3.64,"xylitol","1"
6,73.482,3.637,"xylitol","1"
7,65.325,3.612,"xylitol","1"