"sequence","ID","PeakName","mainGroup","subGroup","RetTime","Area","RelArea","RW"
"20210421","CM","1,3-dione-4-Cyclopentene","Al","Al",NA,NA,NA,"CM"
"20210421","CM","1,2-Cyclopentanedione","Al","Al",NA,NA,NA,"CM"
"20210421","CM","3-methyl-2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"CM"
"20210421","CM","3-methyl-1,2-Cyclopentanedione","Al","Al",NA,NA,NA,"CM"
"20210421","CM","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"CM"
"20210421","CM","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"CM"
"20210421","CM","3-Buten-2-ol","Al","Al",NA,NA,NA,"CM"
"20210421","CM","Octanoic acid","Al","Al",NA,NA,NA,"CM"
"20210421","CM","5-methyl-1-Undecene","Al","Al",24.318,246007,2.2,"CM"
"20210421","CM","Neophytadiene","Al","Al",25.904,60720,0.54,"CM"
"20210421","CM","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",26.039,44443,0.4,"CM"
"20210421","CM","Hexadecanoic acid methyl ester","Al","Al",26.934,24278,0.22,"CM"
"20210421","CM","n-Hexadecanoic acid","Al","Al",NA,NA,NA,"CM"
"20210421","CM","Decene","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Decane","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Nonene","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Nonane","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Undecene","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Undecane","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Dodecene","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Dodecane","Al","alkane/alkene",15.145,60365,0.54,"CM"
"20210421","CM","Tridecene","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Tridecane","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Tetradecene","Al","alkane/alkene",18.522,84961,0.76,"CM"
"20210421","CM","Tetradecane","Al","alkane/alkene",18.721,182107,1.63,"CM"
"20210421","CM","Pentadecene","Al","alkane/alkene",20.334,71132,0.64,"CM"
"20210421","CM","Pentadecane","Al","alkane/alkene",20.516,263098,2.35,"CM"
"20210421","CM","Hexadecene","Al","alkane/alkene",22.044,120457,1.08,"CM"
"20210421","CM","Hexadecane","Al","alkane/alkene",22.214,211794,1.89,"CM"
"20210421","CM","Heptadecene","Al","alkane/alkene",23.67,148631,1.33,"CM"
"20210421","CM","Heptadecane","Al","alkane/alkene",23.826,223507,2,"CM"
"20210421","CM","Octadecene","Al","alkane/alkene",25.21,133776,1.19,"CM"
"20210421","CM","Octadecane","Al","alkane/alkene",25.355,291589,2.6,"CM"
"20210421","CM","Nonadecene","Al","alkane/alkene",26.679,138155,1.23,"CM"
"20210421","CM","Nonadecane","Al","alkane/alkene",26.811,267123,2.39,"CM"
"20210421","CM","Eicosene","Al","alkane/alkene",28.075,152992,1.37,"CM"
"20210421","CM","Eicosane","Al","alkane/alkene",NA,NA,NA,"CM"
"20210421","CM","Heneicosene","Al","alkane/alkene",29.412,187321,1.67,"CM"
"20210421","CM","Heneicosane","Al","alkane/alkene",29.529,341858,3.05,"CM"
"20210421","CM","Docosene","Al","alkane/alkene",30.696,182711,1.63,"CM"
"20210421","CM","Docosane","Al","alkane/alkene",30.802,384395,3.43,"CM"
"20210421","CM","Tricosene","Al","alkane/alkene",31.924,215724,1.93,"CM"
"20210421","CM","Tricosane","Al","alkane/alkene",32.024,443017,3.96,"CM"
"20210421","CM","Tetracosene","Al","alkane/alkene",33.102,249935,2.23,"CM"
"20210421","CM","Tetracosane","Al","alkane/alkene",33.195,552206,4.93,"CM"
"20210421","CM","p-Xylene","B","B",7.145,12896,0.12,"CM"
"20210421","CM","Styrene","B","B",NA,NA,NA,"CM"
"20210421","CM","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"CM"
"20210421","CM","1,2,4-trimethyl benzene","B","B",NA,NA,NA,"CM"
"20210421","CM","Phenylethyl Alcohol","B","B",NA,NA,NA,"CM"
"20210421","CM","Benzocycloheptatriene","B","B",16.423,23309,0.21,"CM"
"20210421","CM","3,4,5-Trimethoxytoluene","B","B",18.138,3392,0.03,"CM"
"20210421","CM","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",23.071,43668,0.39,"CM"
"20210421","CM","Furaneol","Bf","Bf",NA,NA,NA,"CM"
"20210421","CM","6-Methoxy-3-methylbenzofuran","Bf","Bf",19.663,56007,0.5,"CM"
"20210421","CM","Guaiacol","Lg","LG",11.898,329305,2.94,"CM"
"20210421","CM","Creosol","Lg","LG",14.179,68792,0.61,"CM"
"20210421","CM","4-ethylguaiacol","Lg","LG",15.953,67719,0.6,"CM"
"20210421","CM","4-Vinylguaiacol","Lg","LG",16.595,220475,1.97,"CM"
"20210421","CM","3-methoxy-5-methylphenol","Lg","LG",NA,NA,NA,"CM"
"20210421","CM","Eugenol","Lg","LG",17.464,24468,0.22,"CM"
"20210421","CM","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"CM"
"20210421","CM","4-Propylguaiacol","Lg","LG",17.693,10893,0.1,"CM"
"20210421","CM","Vanillin","Lg","LG",18.105,66007,0.59,"CM"
"20210421","CM","cis-Isoeugenol","Lg","LG",18.409,13387,0.12,"CM"
"20210421","CM","trans-Isoeugenol","Lg","LG",19.176,94314,0.84,"CM"
"20210421","CM","Acetovanillone","Lg","LG",19.672,208162,1.86,"CM"
"20210421","CM","Guaiacylacetone","Lg","LG",20.402,84069,0.75,"CM"
"20210421","CM","4-Butylguaiacol","Lg","LG",NA,NA,NA,"CM"
"20210421","CM","cis-Coniferylalcohol","Lg","LG",NA,NA,NA,"CM"
"20210421","CM","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"CM"
"20210421","CM","trans-Coniferylalcohol","Lg","LG",NA,NA,NA,"CM"
"20210421","CM","o-Cresol","Lg","LH",11.388,26846,0.24,"CM"
"20210421","CM","p-m-Cresol","Lg","LH",11.858,685537,6.12,"CM"
"20210421","CM","2,4-dimethylphenol","Lg","LH",13.36,148799,1.33,"CM"
"20210421","CM","4-ethylphenol","Lg","LH",13.78,157959,1.41,"CM"
"20210421","CM","4-vinylphenol","Lg","LH",NA,NA,NA,"CM"
"20210421","CM","Hydroquinone","Lg","LH",NA,NA,NA,"CM"
"20210421","CM","4-propenylphenol","Lg","LH",NA,NA,NA,"CM"
"20210421","CM","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"CM"
"20210421","CM","Syringol","Lg","LS",17.16,191054,1.71,"CM"
"20210421","CM","4-methyl syringol","Lg","LS",18.969,62938,0.56,"CM"
"20210421","CM","4-ethylsyringol","Lg","LS",20.391,31926,0.29,"CM"
"20210421","CM","4-Vinylsyringol","Lg","LS",21.018,303782,2.71,"CM"
"20210421","CM","4-Allylsyringol","Lg","LS",21.678,26443,0.24,"CM"
"20210421","CM","Homosyringaldehyde","Lg","LS",NA,NA,NA,"CM"
"20210421","CM","Syringaldehyde","Lg","LS",22.459,124822,1.11,"CM"
"20210421","CM","cis-4-Propenylsyringol","Lg","LS",22.473,18155,0.16,"CM"
"20210421","CM","trans-4-Propenylsyringol","Lg","LS",23.267,152207,1.36,"CM"
"20210421","CM","Acetosyringone","Lg","LS",23.631,229267,2.05,"CM"
"20210421","CM","Syringylacetone","Lg","LS",24.171,118378,1.06,"CM"
"20210421","CM","Syringyl vinyl ketone","Lg","LS",25.052,35685,0.32,"CM"
"20210421","CM","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"CM"
"20210421","CM","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"CM"
"20210421","CM","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"CM"
"20210421","CM","trans-Sinapylalcohol","Lg","LS",27.414,35269,0.32,"CM"
"20210421","CM","3-methyl-1H-Pyrrole","N","N",NA,NA,NA,"CM"
"20210421","CM","Isoamyl cyanide","N","N",NA,NA,NA,"CM"
"20210421","CM","2-methyl-1H-Pyrrole","N","N",NA,NA,NA,"CM"
"20210421","CM","3-methyl-Pyridine","N","N",NA,NA,NA,"CM"
"20210421","CM","Butanedioic acid","N","N",NA,NA,NA,"CM"
"20210421","CM","1H-Pyrrole-2,5-dione","N","N",NA,NA,NA,"CM"
"20210421","CM","Indole","N","N",16.083,582054,5.2,"CM"
"20210421","CM","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.543,71362,0.64,"CM"
"20210421","CM","3-Isobutyl-2,5-piperazinedione","N","N",NA,NA,NA,"CM"
"20210421","CM","Cyclo(L-prolyl-L-valine)","N","N",24.575,31292,0.28,"CM"
"20210421","CM","Pyrimethanil","N","N",NA,NA,NA,"CM"
"20210421","CM","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.327,125451,1.12,"CM"
"20210421","CM","3-phenylmethyl-2,5-Piperazinedione","N","N",29.416,192445,1.72,"CM"
"20210421","CM","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.473,226691,2.02,"CM"
"20210421","CM","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",NA,NA,NA,"CM"
"20210421","CM","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",NA,NA,NA,"CM"
"20210421","CM","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",NA,NA,NA,"CM"
"20210421","CM","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",NA,NA,NA,"CM"
"20210421","CM","methyl-1H-Indole","Other","Other",17.894,350845,3.13,"CM"
"20210421","CM","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",NA,NA,NA,"CM"
"20210421","CM","Maltol","PAH","PAH",NA,NA,NA,"CM"
"20210421","CM","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.156,40037,0.36,"CM"
"20210421","CM","2,3-Anhydro-d-mannosan","PAH","PAH",NA,NA,NA,"CM"
"20210421","CM","2-Naphthalenol","PAH","PAH",NA,NA,NA,"CM"
"20210421","CM","Phenol","Ph","Ph",9.905,240434,2.15,"CM"
"20210421","CM","2-ethyl Phenol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","2,3-dimethyl- 3-Phenol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","Catechol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","3-methoxy catechol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","4-methyl-1,2-Benzenediol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","Orcinol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","2,6-Dimethoxyhydroquinone","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",NA,NA,NA,"CM"
"20210421","CM","2-Furanmethanol","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","2(5H)-Furanone","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","Furan","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","5-methyl-2-Furancarboxaldehyde","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","D-Allose","Ps","Ps",19.318,131811,1.18,"CM"
"20210421","CM","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"CM"
"20210421","CM","Furfural","Te","Te",NA,NA,NA,"CM"
"20210421","CM","Limonene","Te","Te",10.921,19494,0.17,"CM"
"20210421","CM","Phytane","Te","Te",19.894,77738,0.69,"CM"
"20210421","CM","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",27.151,148060,1.32,"CM"
"20210421","KC1","1,3-dione-4-Cyclopentene","Al","Al",6.993,103286,0.18,"KC"
"20210421","KC1","1,2-Cyclopentanedione","Al","Al",7.99,1572037,2.7,"KC"
"20210421","KC1","3-methyl-2-Cyclopenten-1-one","Al","Al",8.896,155771,0.27,"KC"
"20210421","KC1","3-methyl-1,2-Cyclopentanedione","Al","Al",10.396,632555,1.09,"KC"
"20210421","KC1","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.689,115877,0.2,"KC"
"20210421","KC1","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"KC"
"20210421","KC1","3-Buten-2-ol","Al","Al",11.386,1480471,2.55,"KC"
"20210421","KC1","Octanoic acid","Al","Al",NA,NA,NA,"KC"
"20210421","KC1","5-methyl-1-Undecene","Al","Al",24.471,534651,0.92,"KC"
"20210421","KC1","Neophytadiene","Al","Al",26.06,2937599,5.05,"KC"
"20210421","KC1","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",NA,NA,NA,"KC"
"20210421","KC1","Hexadecanoic acid methyl ester","Al","Al",27.087,38586,0.07,"KC"
"20210421","KC1","n-Hexadecanoic acid","Al","Al",NA,NA,NA,"KC"
"20210421","KC1","Decene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Decane","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Nonene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Nonane","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Undecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Undecane","Al","alkane/alkene",13.142,817918,1.41,"KC"
"20210421","KC1","Dodecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Dodecane","Al","alkane/alkene",15.147,104508,0.18,"KC"
"20210421","KC1","Tridecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Tridecane","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Tetradecene","Al","alkane/alkene",18.668,184725,0.32,"KC"
"20210421","KC1","Tetradecane","Al","alkane/alkene",18.867,591861,1.02,"KC"
"20210421","KC1","Pentadecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Pentadecane","Al","alkane/alkene",20.661,793424,1.36,"KC"
"20210421","KC1","Hexadecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC1","Hexadecane","Al","alkane/alkene",22.364,303422,0.52,"KC"
"20210421","KC1","Heptadecene","Al","alkane/alkene",23.706,74048,0.13,"KC"
"20210421","KC1","Heptadecane","Al","alkane/alkene",23.975,312265,0.54,"KC"
"20210421","KC1","Octadecene","Al","alkane/alkene",25.366,172587,0.3,"KC"
"20210421","KC1","Octadecane","Al","alkane/alkene",25.507,278129,0.48,"KC"
"20210421","KC1","Nonadecene","Al","alkane/alkene",26.832,96186,0.17,"KC"
"20210421","KC1","Nonadecane","Al","alkane/alkene",26.965,355052,0.61,"KC"
"20210421","KC1","Eicosene","Al","alkane/alkene",28.23,83131,0.14,"KC"
"20210421","KC1","Eicosane","Al","alkane/alkene",28.353,327107,0.56,"KC"
"20210421","KC1","Heneicosene","Al","alkane/alkene",29.569,80187,0.14,"KC"
"20210421","KC1","Heneicosane","Al","alkane/alkene",29.687,471937,0.81,"KC"
"20210421","KC1","Docosene","Al","alkane/alkene",30.852,148226,0.25,"KC"
"20210421","KC1","Docosane","Al","alkane/alkene",30.96,384513,0.66,"KC"
"20210421","KC1","Tricosene","Al","alkane/alkene",32.018,230913,0.4,"KC"
"20210421","KC1","Tricosane","Al","alkane/alkene",32.184,333847,0.57,"KC"
"20210421","KC1","Tetracosene","Al","alkane/alkene",33.272,78231,0.13,"KC"
"20210421","KC1","Tetracosane","Al","alkane/alkene",33.362,267029,0.46,"KC"
"20210421","KC1","p-Xylene","B","B",7.21,517023,0.89,"KC"
"20210421","KC1","Styrene","B","B",7.633,563372,0.97,"KC"
"20210421","KC1","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"KC"
"20210421","KC1","1,2,4-trimethyl benzene","B","B",10.89,64424,0.11,"KC"
"20210421","KC1","Phenylethyl Alcohol","B","B",NA,NA,NA,"KC"
"20210421","KC1","Benzocycloheptatriene","B","B",16.546,120263,0.21,"KC"
"20210421","KC1","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"KC"
"20210421","KC1","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"KC"
"20210421","KC1","Furaneol","Bf","Bf",NA,NA,NA,"KC"
"20210421","KC1","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"KC"
"20210421","KC1","Guaiacol","Lg","LG",11.947,639372,1.1,"KC"
"20210421","KC1","Creosol","Lg","LG",14.252,107419,0.18,"KC"
"20210421","KC1","4-ethylguaiacol","Lg","LG",15.934,39582,0.07,"KC"
"20210421","KC1","4-Vinylguaiacol","Lg","LG",16.682,658089,1.13,"KC"
"20210421","KC1","3-methoxy-5-methylphenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","Eugenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","4-Propylguaiacol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","Vanillin","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","cis-Isoeugenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","trans-Isoeugenol","Lg","LG",19.28,25169,0.04,"KC"
"20210421","KC1","Acetovanillone","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","Guaiacylacetone","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","4-Butylguaiacol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","cis-Coniferylalcohol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"KC"
"20210421","KC1","trans-Coniferylalcohol","Lg","LG",23.93,97183,0.17,"KC"
"20210421","KC1","o-Cresol","Lg","LH",NA,NA,NA,"KC"
"20210421","KC1","p-m-Cresol","Lg","LH",11.798,3593706,6.18,"KC"
"20210421","KC1","2,4-dimethylphenol","Lg","LH",13.381,319309,0.55,"KC"
"20210421","KC1","4-ethylphenol","Lg","LH",13.733,2508703,4.32,"KC"
"20210421","KC1","4-vinylphenol","Lg","LH",14.73,5241084,9.02,"KC"
"20210421","KC1","Hydroquinone","Lg","LH",NA,NA,NA,"KC"
"20210421","KC1","4-propenylphenol","Lg","LH",NA,NA,NA,"KC"
"20210421","KC1","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"KC"
"20210421","KC1","Syringol","Lg","LS",17.223,306596,0.53,"KC"
"20210421","KC1","4-methyl syringol","Lg","LS",19.068,78436,0.13,"KC"
"20210421","KC1","4-ethylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","4-Vinylsyringol","Lg","LS",21.138,120664,0.21,"KC"
"20210421","KC1","4-Allylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","Homosyringaldehyde","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","Syringaldehyde","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","cis-4-Propenylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","trans-4-Propenylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","Acetosyringone","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","Syringylacetone","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","trans-Sinapylalcohol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC1","3-methyl-1H-Pyrrole","N","N",6.275,395444,0.68,"KC"
"20210421","KC1","Isoamyl cyanide","N","N",NA,NA,NA,"KC"
"20210421","KC1","2-methyl-1H-Pyrrole","N","N",6.535,323817,0.56,"KC"
"20210421","KC1","3-methyl-Pyridine","N","N",6.816,200796,0.35,"KC"
"20210421","KC1","Butanedioic acid","N","N",NA,NA,NA,"KC"
"20210421","KC1","1H-Pyrrole-2,5-dione","N","N",9.433,83769,0.14,"KC"
"20210421","KC1","Indole","N","N",16.111,7735407,13.31,"KC"
"20210421","KC1","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.502,931922,1.6,"KC"
"20210421","KC1","3-Isobutyl-2,5-piperazinedione","N","N",23.708,554137,0.95,"KC"
"20210421","KC1","Cyclo(L-prolyl-L-valine)","N","N",24.688,274296,0.47,"KC"
"20210421","KC1","Pyrimethanil","N","N",NA,NA,NA,"KC"
"20210421","KC1","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.443,1856172,3.19,"KC"
"20210421","KC1","3-phenylmethyl-2,5-Piperazinedione","N","N",29.492,626315,1.08,"KC"
"20210421","KC1","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.612,721867,1.24,"KC"
"20210421","KC1","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.533,128409,0.22,"KC"
"20210421","KC1","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.124,59451,0.1,"KC"
"20210421","KC1","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.475,598312,1.03,"KC"
"20210421","KC1","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",NA,NA,NA,"KC"
"20210421","KC1","methyl-1H-Indole","Other","Other",17.97,3691186,6.35,"KC"
"20210421","KC1","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",NA,NA,NA,"KC"
"20210421","KC1","Maltol","PAH","PAH",12.297,242701,0.42,"KC"
"20210421","KC1","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.188,392026,0.67,"KC"
"20210421","KC1","2,3-Anhydro-d-mannosan","PAH","PAH",NA,NA,NA,"KC"
"20210421","KC1","2-Naphthalenol","PAH","PAH",20.314,46100,0.08,"KC"
"20210421","KC1","Phenol","Ph","Ph",9.782,1549786,2.67,"KC"
"20210421","KC1","2-ethyl Phenol","Ph","Ph",13.143,269079,0.46,"KC"
"20210421","KC1","2,3-dimethyl- 3-Phenol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC1","Catechol","Ph","Ph",14.474,1096194,1.89,"KC"
"20210421","KC1","3-methoxy catechol","Ph","Ph",15.629,411690,0.71,"KC"
"20210421","KC1","4-methyl-1,2-Benzenediol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC1","Orcinol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC1","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC1","2,6-Dimethoxyhydroquinone","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC1","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC1","2-Furanmethanol","Ps","Ps",6.677,146385,0.25,"KC"
"20210421","KC1","2(5H)-Furanone","Ps","Ps",7.352,977269,1.68,"KC"
"20210421","KC1","Furan","Ps","Ps",7.867,3341013,5.75,"KC"
"20210421","KC1","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.977,175412,0.3,"KC"
"20210421","KC1","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.517,9350,0.02,"KC"
"20210421","KC1","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.168,52593,0.09,"KC"
"20210421","KC1","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"KC"
"20210421","KC1","D-Allose","Ps","Ps",19.273,1064401,1.83,"KC"
"20210421","KC1","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"KC"
"20210421","KC1","Furfural","Te","Te",6.032,503001,0.87,"KC"
"20210421","KC1","Limonene","Te","Te",11.053,357390,0.61,"KC"
"20210421","KC1","Phytane","Te","Te",19.897,256453,0.44,"KC"
"20210421","KC1","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",NA,NA,NA,"KC"
"20210421","KC2","1,3-dione-4-Cyclopentene","Al","Al",6.995,118067,0.21,"KC"
"20210421","KC2","1,2-Cyclopentanedione","Al","Al",7.975,1847478,3.29,"KC"
"20210421","KC2","3-methyl-2-Cyclopenten-1-one","Al","Al",8.882,170676,0.3,"KC"
"20210421","KC2","3-methyl-1,2-Cyclopentanedione","Al","Al",10.382,768329,1.37,"KC"
"20210421","KC2","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.684,118791,0.21,"KC"
"20210421","KC2","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"KC"
"20210421","KC2","3-Buten-2-ol","Al","Al",11.374,1673635,2.98,"KC"
"20210421","KC2","Octanoic acid","Al","Al",NA,NA,NA,"KC"
"20210421","KC2","5-methyl-1-Undecene","Al","Al",24.457,532478,0.95,"KC"
"20210421","KC2","Neophytadiene","Al","Al",26.048,2603273,4.63,"KC"
"20210421","KC2","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",NA,NA,NA,"KC"
"20210421","KC2","Hexadecanoic acid methyl ester","Al","Al",27.074,38452,0.07,"KC"
"20210421","KC2","n-Hexadecanoic acid","Al","Al",NA,NA,NA,"KC"
"20210421","KC2","Decene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Decane","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Nonene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Nonane","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Undecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Undecane","Al","alkane/alkene",13.142,757561,1.35,"KC"
"20210421","KC2","Dodecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Dodecane","Al","alkane/alkene",15.133,126522,0.23,"KC"
"20210421","KC2","Tridecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Tridecane","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Tetradecene","Al","alkane/alkene",18.654,161995,0.29,"KC"
"20210421","KC2","Tetradecane","Al","alkane/alkene",18.851,577275,1.03,"KC"
"20210421","KC2","Pentadecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Pentadecane","Al","alkane/alkene",20.648,708079,1.26,"KC"
"20210421","KC2","Hexadecene","Al","alkane/alkene",NA,NA,NA,"KC"
"20210421","KC2","Hexadecane","Al","alkane/alkene",22.35,274994,0.49,"KC"
"20210421","KC2","Heptadecene","Al","alkane/alkene",23.665,116619,0.21,"KC"
"20210421","KC2","Heptadecane","Al","alkane/alkene",23.961,258498,0.46,"KC"
"20210421","KC2","Octadecene","Al","alkane/alkene",25.349,174241,0.31,"KC"
"20210421","KC2","Octadecane","Al","alkane/alkene",25.494,274337,0.49,"KC"
"20210421","KC2","Nonadecene","Al","alkane/alkene",26.729,85133,0.15,"KC"
"20210421","KC2","Nonadecane","Al","alkane/alkene",26.953,338090,0.6,"KC"
"20210421","KC2","Eicosene","Al","alkane/alkene",28.219,89571,0.16,"KC"
"20210421","KC2","Eicosane","Al","alkane/alkene",28.341,305984,0.54,"KC"
"20210421","KC2","Heneicosene","Al","alkane/alkene",29.558,72641,0.13,"KC"
"20210421","KC2","Heneicosane","Al","alkane/alkene",29.676,482449,0.86,"KC"
"20210421","KC2","Docosene","Al","alkane/alkene",30.84,125561,0.22,"KC"
"20210421","KC2","Docosane","Al","alkane/alkene",30.949,402524,0.72,"KC"
"20210421","KC2","Tricosene","Al","alkane/alkene",32.007,239519,0.43,"KC"
"20210421","KC2","Tricosane","Al","alkane/alkene",32.174,296266,0.53,"KC"
"20210421","KC2","Tetracosene","Al","alkane/alkene",33.256,73617,0.13,"KC"
"20210421","KC2","Tetracosane","Al","alkane/alkene",33.348,234760,0.42,"KC"
"20210421","KC2","p-Xylene","B","B",7.201,519466,0.92,"KC"
"20210421","KC2","Styrene","B","B",7.623,629971,1.12,"KC"
"20210421","KC2","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"KC"
"20210421","KC2","1,2,4-trimethyl benzene","B","B",10.885,61775,0.11,"KC"
"20210421","KC2","Phenylethyl Alcohol","B","B",NA,NA,NA,"KC"
"20210421","KC2","Benzocycloheptatriene","B","B",16.531,82667,0.15,"KC"
"20210421","KC2","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"KC"
"20210421","KC2","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"KC"
"20210421","KC2","Furaneol","Bf","Bf",NA,NA,NA,"KC"
"20210421","KC2","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"KC"
"20210421","KC2","Guaiacol","Lg","LG",11.933,641618,1.14,"KC"
"20210421","KC2","Creosol","Lg","LG",14.238,96852,0.17,"KC"
"20210421","KC2","4-ethylguaiacol","Lg","LG",15.917,42681,0.08,"KC"
"20210421","KC2","4-Vinylguaiacol","Lg","LG",16.67,654982,1.17,"KC"
"20210421","KC2","3-methoxy-5-methylphenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","Eugenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","4-Propylguaiacol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","Vanillin","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","cis-Isoeugenol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","trans-Isoeugenol","Lg","LG",19.263,26241,0.05,"KC"
"20210421","KC2","Acetovanillone","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","Guaiacylacetone","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","4-Butylguaiacol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","cis-Coniferylalcohol","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"KC"
"20210421","KC2","trans-Coniferylalcohol","Lg","LG",23.919,92243,0.16,"KC"
"20210421","KC2","o-Cresol","Lg","LH",NA,NA,NA,"KC"
"20210421","KC2","p-m-Cresol","Lg","LH",11.794,3287534,5.85,"KC"
"20210421","KC2","2,4-dimethylphenol","Lg","LH",13.362,222134,0.4,"KC"
"20210421","KC2","4-ethylphenol","Lg","LH",13.731,2079085,3.7,"KC"
"20210421","KC2","4-vinylphenol","Lg","LH",14.718,4865158,8.66,"KC"
"20210421","KC2","Hydroquinone","Lg","LH",NA,NA,NA,"KC"
"20210421","KC2","4-propenylphenol","Lg","LH",NA,NA,NA,"KC"
"20210421","KC2","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"KC"
"20210421","KC2","Syringol","Lg","LS",17.209,354959,0.63,"KC"
"20210421","KC2","4-methyl syringol","Lg","LS",19.053,78608,0.14,"KC"
"20210421","KC2","4-ethylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","4-Vinylsyringol","Lg","LS",21.122,120877,0.22,"KC"
"20210421","KC2","4-Allylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","Homosyringaldehyde","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","Syringaldehyde","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","cis-4-Propenylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","trans-4-Propenylsyringol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","Acetosyringone","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","Syringylacetone","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","trans-Sinapylalcohol","Lg","LS",NA,NA,NA,"KC"
"20210421","KC2","3-methyl-1H-Pyrrole","N","N",6.261,413283,0.74,"KC"
"20210421","KC2","Isoamyl cyanide","N","N",NA,NA,NA,"KC"
"20210421","KC2","2-methyl-1H-Pyrrole","N","N",6.516,333846,0.59,"KC"
"20210421","KC2","3-methyl-Pyridine","N","N",6.799,184178,0.33,"KC"
"20210421","KC2","Butanedioic acid","N","N",NA,NA,NA,"KC"
"20210421","KC2","1H-Pyrrole-2,5-dione","N","N",9.413,87741,0.16,"KC"
"20210421","KC2","Indole","N","N",16.095,7006978,12.47,"KC"
"20210421","KC2","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.482,781817,1.39,"KC"
"20210421","KC2","3-Isobutyl-2,5-piperazinedione","N","N",23.697,529035,0.94,"KC"
"20210421","KC2","Cyclo(L-prolyl-L-valine)","N","N",24.672,261572,0.47,"KC"
"20210421","KC2","Pyrimethanil","N","N",NA,NA,NA,"KC"
"20210421","KC2","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.433,1720822,3.06,"KC"
"20210421","KC2","3-phenylmethyl-2,5-Piperazinedione","N","N",29.466,648770,1.15,"KC"
"20210421","KC2","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.596,1090110,1.94,"KC"
"20210421","KC2","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.521,183820,0.33,"KC"
"20210421","KC2","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.11,53851,0.1,"KC"
"20210421","KC2","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.473,662127,1.18,"KC"
"20210421","KC2","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",NA,NA,NA,"KC"
"20210421","KC2","methyl-1H-Indole","Other","Other",17.956,3218070,5.73,"KC"
"20210421","KC2","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",NA,NA,NA,"KC"
"20210421","KC2","Maltol","PAH","PAH",12.278,282714,0.5,"KC"
"20210421","KC2","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.174,432883,0.77,"KC"
"20210421","KC2","2,3-Anhydro-d-mannosan","PAH","PAH",14.507,39656,0.07,"KC"
"20210421","KC2","2-Naphthalenol","PAH","PAH",20.301,33963,0.06,"KC"
"20210421","KC2","Phenol","Ph","Ph",9.779,1983763,3.53,"KC"
"20210421","KC2","2-ethyl Phenol","Ph","Ph",13.124,218880,0.39,"KC"
"20210421","KC2","2,3-dimethyl- 3-Phenol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC2","Catechol","Ph","Ph",14.458,892800,1.59,"KC"
"20210421","KC2","3-methoxy catechol","Ph","Ph",15.627,362319,0.64,"KC"
"20210421","KC2","4-methyl-1,2-Benzenediol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC2","Orcinol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC2","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC2","2,6-Dimethoxyhydroquinone","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC2","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",NA,NA,NA,"KC"
"20210421","KC2","2-Furanmethanol","Ps","Ps",6.665,155680,0.28,"KC"
"20210421","KC2","2(5H)-Furanone","Ps","Ps",7.336,994673,1.77,"KC"
"20210421","KC2","Furan","Ps","Ps",7.855,3100859,5.52,"KC"
"20210421","KC2","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.97,151536,0.27,"KC"
"20210421","KC2","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.498,7046,0.01,"KC"
"20210421","KC2","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.161,61910,0.11,"KC"
"20210421","KC2","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"KC"
"20210421","KC2","D-Allose","Ps","Ps",19.271,1201718,2.14,"KC"
"20210421","KC2","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"KC"
"20210421","KC2","Furfural","Te","Te",6.017,587022,1.04,"KC"
"20210421","KC2","Limonene","Te","Te",11.041,366542,0.65,"KC"
"20210421","KC2","Phytane","Te","Te",19.883,238838,0.43,"KC"
"20210421","KC2","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",NA,NA,NA,"KC"
"20210421","RF1","1,3-dione-4-Cyclopentene","Al","Al",6.941,626854,0.34,"RF"
"20210421","RF1","1,2-Cyclopentanedione","Al","Al",7.959,5665706,3.09,"RF"
"20210421","RF1","3-methyl-2-Cyclopenten-1-one","Al","Al",8.859,397638,0.22,"RF"
"20210421","RF1","3-methyl-1,2-Cyclopentanedione","Al","Al",10.37,1333249,0.73,"RF"
"20210421","RF1","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.674,230823,0.13,"RF"
"20210421","RF1","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"RF"
"20210421","RF1","3-Buten-2-ol","Al","Al",11.366,3189496,1.74,"RF"
"20210421","RF1","Octanoic acid","Al","Al",13.931,1043537,0.57,"RF"
"20210421","RF1","5-methyl-1-Undecene","Al","Al",24.463,146197,0.08,"RF"
"20210421","RF1","Neophytadiene","Al","Al",NA,NA,NA,"RF"
"20210421","RF1","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",26.176,169374,0.09,"RF"
"20210421","RF1","Hexadecanoic acid methyl ester","Al","Al",NA,NA,NA,"RF"
"20210421","RF1","n-Hexadecanoic acid","Al","Al",27.517,215869,0.12,"RF"
"20210421","RF1","Decene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Decane","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Nonene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Nonane","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Undecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Undecane","Al","alkane/alkene",13.161,1631866,0.89,"RF"
"20210421","RF1","Dodecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Dodecane","Al","alkane/alkene",15.117,1021508,0.56,"RF"
"20210421","RF1","Tridecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Tridecane","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Tetradecene","Al","alkane/alkene",18.654,206509,0.11,"RF"
"20210421","RF1","Tetradecane","Al","alkane/alkene",18.855,1024397,0.56,"RF"
"20210421","RF1","Pentadecene","Al","alkane/alkene",20.361,156801,0.09,"RF"
"20210421","RF1","Pentadecane","Al","alkane/alkene",20.65,1846797,1.01,"RF"
"20210421","RF1","Hexadecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Hexadecane","Al","alkane/alkene",22.18,137400,0.07,"RF"
"20210421","RF1","Heptadecene","Al","alkane/alkene",23.673,35728,0.02,"RF"
"20210421","RF1","Heptadecane","Al","alkane/alkene",23.963,1649231,0.9,"RF"
"20210421","RF1","Octadecene","Al","alkane/alkene",25.349,134130,0.07,"RF"
"20210421","RF1","Octadecane","Al","alkane/alkene",25.496,621154,0.34,"RF"
"20210421","RF1","Nonadecene","Al","alkane/alkene",26.82,158588,0.09,"RF"
"20210421","RF1","Nonadecane","Al","alkane/alkene",26.955,1129815,0.62,"RF"
"20210421","RF1","Eicosene","Al","alkane/alkene",28.223,166945,0.09,"RF"
"20210421","RF1","Eicosane","Al","alkane/alkene",28.346,783743,0.43,"RF"
"20210421","RF1","Heneicosene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF1","Heneicosane","Al","alkane/alkene",29.564,93338,0.05,"RF"
"20210421","RF1","Docosene","Al","alkane/alkene",30.847,181355,0.1,"RF"
"20210421","RF1","Docosane","Al","alkane/alkene",30.953,1010424,0.55,"RF"
"20210421","RF1","Tricosene","Al","alkane/alkene",32.047,949388,0.52,"RF"
"20210421","RF1","Tricosane","Al","alkane/alkene",32.177,5663243,3.09,"RF"
"20210421","RF1","Tetracosene","Al","alkane/alkene",33.258,220641,0.12,"RF"
"20210421","RF1","Tetracosane","Al","alkane/alkene",33.353,1020088,0.56,"RF"
"20210421","RF1","p-Xylene","B","B",7.2,177802,0.1,"RF"
"20210421","RF1","Styrene","B","B",7.614,488948,0.27,"RF"
"20210421","RF1","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"RF"
"20210421","RF1","1,2,4-trimethyl benzene","B","B",10.864,165631,0.09,"RF"
"20210421","RF1","Phenylethyl Alcohol","B","B",12.455,247134,0.13,"RF"
"20210421","RF1","Benzocycloheptatriene","B","B",16.529,193245,0.11,"RF"
"20210421","RF1","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"RF"
"20210421","RF1","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"RF"
"20210421","RF1","Furaneol","Bf","Bf",11.628,226871,0.12,"RF"
"20210421","RF1","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"RF"
"20210421","RF1","Guaiacol","Lg","LG",11.928,234481,0.13,"RF"
"20210421","RF1","Creosol","Lg","LG",14.233,83653,0.05,"RF"
"20210421","RF1","4-ethylguaiacol","Lg","LG",15.898,293863,0.16,"RF"
"20210421","RF1","4-Vinylguaiacol","Lg","LG",16.664,446900,0.24,"RF"
"20210421","RF1","3-methoxy-5-methylphenol","Lg","LG",16.711,209797,0.11,"RF"
"20210421","RF1","Eugenol","Lg","LG",17.546,427473,0.23,"RF"
"20210421","RF1","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","4-Propylguaiacol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","Vanillin","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","cis-Isoeugenol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","trans-Isoeugenol","Lg","LG",19.254,133693,0.07,"RF"
"20210421","RF1","Acetovanillone","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","Guaiacylacetone","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","4-Butylguaiacol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","cis-Coniferylalcohol","Lg","LG",22.856,30861,0.02,"RF"
"20210421","RF1","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"RF"
"20210421","RF1","trans-Coniferylalcohol","Lg","LG",23.894,180969,0.1,"RF"
"20210421","RF1","o-Cresol","Lg","LH",NA,NA,NA,"RF"
"20210421","RF1","p-m-Cresol","Lg","LH",11.758,13598393,7.42,"RF"
"20210421","RF1","2,4-dimethylphenol","Lg","LH",13.367,834263,0.46,"RF"
"20210421","RF1","4-ethylphenol","Lg","LH",13.723,3277336,1.79,"RF"
"20210421","RF1","4-vinylphenol","Lg","LH",14.708,2938001,1.6,"RF"
"20210421","RF1","Hydroquinone","Lg","LH",15.691,10957063,5.98,"RF"
"20210421","RF1","4-propenylphenol","Lg","LH",NA,NA,NA,"RF"
"20210421","RF1","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"RF"
"20210421","RF1","Syringol","Lg","LS",17.199,245875,0.13,"RF"
"20210421","RF1","4-methyl syringol","Lg","LS",19.048,70835,0.04,"RF"
"20210421","RF1","4-ethylsyringol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","4-Vinylsyringol","Lg","LS",21.115,395567,0.22,"RF"
"20210421","RF1","4-Allylsyringol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","Homosyringaldehyde","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","Syringaldehyde","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","cis-4-Propenylsyringol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","trans-4-Propenylsyringol","Lg","LS",23.375,154828,0.08,"RF"
"20210421","RF1","Acetosyringone","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","Syringylacetone","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"RF"
"20210421","RF1","trans-Sinapylalcohol","Lg","LS",27.486,79822,0.04,"RF"
"20210421","RF1","3-methyl-1H-Pyrrole","N","N",6.237,1157424,0.63,"RF"
"20210421","RF1","Isoamyl cyanide","N","N",NA,NA,NA,"RF"
"20210421","RF1","2-methyl-1H-Pyrrole","N","N",6.504,417884,0.23,"RF"
"20210421","RF1","3-methyl-Pyridine","N","N",6.776,280400,0.15,"RF"
"20210421","RF1","Butanedioic acid","N","N",NA,NA,NA,"RF"
"20210421","RF1","1H-Pyrrole-2,5-dione","N","N",NA,NA,NA,"RF"
"20210421","RF1","Indole","N","N",16.087,4586822,2.5,"RF"
"20210421","RF1","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",NA,NA,NA,"RF"
"20210421","RF1","3-Isobutyl-2,5-piperazinedione","N","N",NA,NA,NA,"RF"
"20210421","RF1","Cyclo(L-prolyl-L-valine)","N","N",24.712,143781,0.08,"RF"
"20210421","RF1","Pyrimethanil","N","N",NA,NA,NA,"RF"
"20210421","RF1","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.461,850790,0.46,"RF"
"20210421","RF1","3-phenylmethyl-2,5-Piperazinedione","N","N",29.515,714495,0.39,"RF"
"20210421","RF1","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.628,668093,0.36,"RF"
"20210421","RF1","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.51,235796,0.13,"RF"
"20210421","RF1","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.072,2141033,1.17,"RF"
"20210421","RF1","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.411,1647276,0.9,"RF"
"20210421","RF1","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14,1248892,0.68,"RF"
"20210421","RF1","methyl-1H-Indole","Other","Other",17.941,2048717,1.12,"RF"
"20210421","RF1","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.45,25267192,13.78,"RF"
"20210421","RF1","Maltol","PAH","PAH",12.257,740892,0.4,"RF"
"20210421","RF1","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.17,1122632,0.61,"RF"
"20210421","RF1","2,3-Anhydro-d-mannosan","PAH","PAH",14.502,35747,0.02,"RF"
"20210421","RF1","2-Naphthalenol","PAH","PAH",20.272,219552,0.12,"RF"
"20210421","RF1","Phenol","Ph","Ph",9.754,8570951,4.68,"RF"
"20210421","RF1","2-ethyl Phenol","Ph","Ph",NA,NA,NA,"RF"
"20210421","RF1","2,3-dimethyl- 3-Phenol","Ph","Ph",14.274,98959,0.05,"RF"
"20210421","RF1","Catechol","Ph","Ph",14.368,8424583,4.6,"RF"
"20210421","RF1","3-methoxy catechol","Ph","Ph",15.599,407646,0.22,"RF"
"20210421","RF1","4-methyl-1,2-Benzenediol","Ph","Ph",16.229,893622,0.49,"RF"
"20210421","RF1","Orcinol","Ph","Ph",17.698,1350940,0.74,"RF"
"20210421","RF1","1,2,3-Benzenetriol","Ph","Ph",17.905,22997404,12.55,"RF"
"20210421","RF1","2,6-Dimethoxyhydroquinone","Ph","Ph",22.44,294341,0.16,"RF"
"20210421","RF1","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",NA,NA,NA,"RF"
"20210421","RF1","2-Furanmethanol","Ps","Ps",6.629,1250441,0.68,"RF"
"20210421","RF1","2(5H)-Furanone","Ps","Ps",7.283,2396351,1.31,"RF"
"20210421","RF1","Furan","Ps","Ps",7.869,787780,0.43,"RF"
"20210421","RF1","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.911,1720369,0.94,"RF"
"20210421","RF1","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.479,656747,0.36,"RF"
"20210421","RF1","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.133,796315,0.43,"RF"
"20210421","RF1","5-Hydroxymethylfurfural","Ps","Ps",14.626,1348608,0.74,"RF"
"20210421","RF1","D-Allose","Ps","Ps",19.311,9383374,5.12,"RF"
"20210421","RF1","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"RF"
"20210421","RF1","Furfural","Te","Te",6.003,1497737,0.82,"RF"
"20210421","RF1","Limonene","Te","Te",11.04,91121,0.05,"RF"
"20210421","RF1","Phytane","Te","Te",NA,NA,NA,"RF"
"20210421","RF1","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",27.307,7845563,4.28,"RF"
"20210421","RF2","1,3-dione-4-Cyclopentene","Al","Al",6.958,528040,0.39,"RF"
"20210421","RF2","1,2-Cyclopentanedione","Al","Al",7.966,5077451,3.7,"RF"
"20210421","RF2","3-methyl-2-Cyclopenten-1-one","Al","Al",8.873,322564,0.24,"RF"
"20210421","RF2","3-methyl-1,2-Cyclopentanedione","Al","Al",10.377,1040427,0.76,"RF"
"20210421","RF2","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.68,159691,0.12,"RF"
"20210421","RF2","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"RF"
"20210421","RF2","3-Buten-2-ol","Al","Al",11.369,2883924,2.1,"RF"
"20210421","RF2","Octanoic acid","Al","Al",13.929,857840,0.63,"RF"
"20210421","RF2","5-methyl-1-Undecene","Al","Al",24.464,124124,0.09,"RF"
"20210421","RF2","Neophytadiene","Al","Al",NA,NA,NA,"RF"
"20210421","RF2","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",26.172,146523,0.11,"RF"
"20210421","RF2","Hexadecanoic acid methyl ester","Al","Al",NA,NA,NA,"RF"
"20210421","RF2","n-Hexadecanoic acid","Al","Al",27.517,172076,0.13,"RF"
"20210421","RF2","Decene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Decane","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Nonene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Nonane","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Undecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Undecane","Al","alkane/alkene",13.152,1480839,1.08,"RF"
"20210421","RF2","Dodecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Dodecane","Al","alkane/alkene",15.096,866092,0.63,"RF"
"20210421","RF2","Tridecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Tridecane","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Tetradecene","Al","alkane/alkene",18.657,219166,0.16,"RF"
"20210421","RF2","Tetradecane","Al","alkane/alkene",18.856,1037590,0.76,"RF"
"20210421","RF2","Pentadecene","Al","alkane/alkene",20.365,110482,0.08,"RF"
"20210421","RF2","Pentadecane","Al","alkane/alkene",20.653,1452707,1.06,"RF"
"20210421","RF2","Hexadecene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Hexadecane","Al","alkane/alkene",22.355,764804,0.56,"RF"
"20210421","RF2","Heptadecene","Al","alkane/alkene",23.675,89112,0.07,"RF"
"20210421","RF2","Heptadecane","Al","alkane/alkene",23.966,1440229,1.05,"RF"
"20210421","RF2","Octadecene","Al","alkane/alkene",25.355,108308,0.08,"RF"
"20210421","RF2","Octadecane","Al","alkane/alkene",25.498,507774,0.37,"RF"
"20210421","RF2","Nonadecene","Al","alkane/alkene",26.821,108070,0.08,"RF"
"20210421","RF2","Nonadecane","Al","alkane/alkene",26.956,888346,0.65,"RF"
"20210421","RF2","Eicosene","Al","alkane/alkene",28.229,170630,0.12,"RF"
"20210421","RF2","Eicosane","Al","alkane/alkene",28.349,626841,0.46,"RF"
"20210421","RF2","Heneicosene","Al","alkane/alkene",NA,NA,NA,"RF"
"20210421","RF2","Heneicosane","Al","alkane/alkene",29.679,2316806,1.69,"RF"
"20210421","RF2","Docosene","Al","alkane/alkene",30.848,150356,0.11,"RF"
"20210421","RF2","Docosane","Al","alkane/alkene",30.954,748075,0.55,"RF"
"20210421","RF2","Tricosene","Al","alkane/alkene",32.045,569654,0.42,"RF"
"20210421","RF2","Tricosane","Al","alkane/alkene",32.18,4608654,3.36,"RF"
"20210421","RF2","Tetracosene","Al","alkane/alkene",33.263,179076,0.13,"RF"
"20210421","RF2","Tetracosane","Al","alkane/alkene",33.355,768107,0.56,"RF"
"20210421","RF2","p-Xylene","B","B",7.215,106170,0.08,"RF"
"20210421","RF2","Styrene","B","B",7.619,358827,0.26,"RF"
"20210421","RF2","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"RF"
"20210421","RF2","1,2,4-trimethyl benzene","B","B",10.878,101598,0.07,"RF"
"20210421","RF2","Phenylethyl Alcohol","B","B",12.46,108963,0.08,"RF"
"20210421","RF2","Benzocycloheptatriene","B","B",16.541,137951,0.1,"RF"
"20210421","RF2","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"RF"
"20210421","RF2","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"RF"
"20210421","RF2","Furaneol","Bf","Bf",11.632,211209,0.15,"RF"
"20210421","RF2","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"RF"
"20210421","RF2","Guaiacol","Lg","LG",11.933,188418,0.14,"RF"
"20210421","RF2","Creosol","Lg","LG",14.239,63898,0.05,"RF"
"20210421","RF2","4-ethylguaiacol","Lg","LG",15.903,269641,0.2,"RF"
"20210421","RF2","4-Vinylguaiacol","Lg","LG",16.666,320876,0.23,"RF"
"20210421","RF2","3-methoxy-5-methylphenol","Lg","LG",16.721,109407,0.08,"RF"
"20210421","RF2","Eugenol","Lg","LG",17.547,116636,0.09,"RF"
"20210421","RF2","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","4-Propylguaiacol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","Vanillin","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","cis-Isoeugenol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","trans-Isoeugenol","Lg","LG",19.254,99690,0.07,"RF"
"20210421","RF2","Acetovanillone","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","Guaiacylacetone","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","4-Butylguaiacol","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","cis-Coniferylalcohol","Lg","LG",22.853,26372,0.02,"RF"
"20210421","RF2","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"RF"
"20210421","RF2","trans-Coniferylalcohol","Lg","LG",23.895,205345,0.15,"RF"
"20210421","RF2","o-Cresol","Lg","LH",NA,NA,NA,"RF"
"20210421","RF2","p-m-Cresol","Lg","LH",11.763,10168666,7.42,"RF"
"20210421","RF2","2,4-dimethylphenol","Lg","LH",13.355,707224,0.52,"RF"
"20210421","RF2","4-ethylphenol","Lg","LH",13.714,2278032,1.66,"RF"
"20210421","RF2","4-vinylphenol","Lg","LH",14.716,2164017,1.58,"RF"
"20210421","RF2","Hydroquinone","Lg","LH",15.712,7220653,5.27,"RF"
"20210421","RF2","4-propenylphenol","Lg","LH",NA,NA,NA,"RF"
"20210421","RF2","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"RF"
"20210421","RF2","Syringol","Lg","LS",17.2,194462,0.14,"RF"
"20210421","RF2","4-methyl syringol","Lg","LS",19.059,65482,0.05,"RF"
"20210421","RF2","4-ethylsyringol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","4-Vinylsyringol","Lg","LS",21.12,345706,0.25,"RF"
"20210421","RF2","4-Allylsyringol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","Homosyringaldehyde","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","Syringaldehyde","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","cis-4-Propenylsyringol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","trans-4-Propenylsyringol","Lg","LS",23.376,131377,0.1,"RF"
"20210421","RF2","Acetosyringone","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","Syringylacetone","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"RF"
"20210421","RF2","trans-Sinapylalcohol","Lg","LS",27.487,88029,0.06,"RF"
"20210421","RF2","3-methyl-1H-Pyrrole","N","N",6.249,807216,0.59,"RF"
"20210421","RF2","Isoamyl cyanide","N","N",NA,NA,NA,"RF"
"20210421","RF2","2-methyl-1H-Pyrrole","N","N",6.516,320291,0.23,"RF"
"20210421","RF2","3-methyl-Pyridine","N","N",6.797,192829,0.14,"RF"
"20210421","RF2","Butanedioic acid","N","N",NA,NA,NA,"RF"
"20210421","RF2","1H-Pyrrole-2,5-dione","N","N",9.308,579759,0.42,"RF"
"20210421","RF2","Indole","N","N",16.097,3420148,2.5,"RF"
"20210421","RF2","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",NA,NA,NA,"RF"
"20210421","RF2","3-Isobutyl-2,5-piperazinedione","N","N",NA,NA,NA,"RF"
"20210421","RF2","Cyclo(L-prolyl-L-valine)","N","N",24.705,108427,0.08,"RF"
"20210421","RF2","Pyrimethanil","N","N",NA,NA,NA,"RF"
"20210421","RF2","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.46,675812,0.49,"RF"
"20210421","RF2","3-phenylmethyl-2,5-Piperazinedione","N","N",29.506,255154,0.19,"RF"
"20210421","RF2","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.625,481172,0.35,"RF"
"20210421","RF2","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.512,169021,0.12,"RF"
"20210421","RF2","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.076,1901909,1.39,"RF"
"20210421","RF2","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.409,1253966,0.91,"RF"
"20210421","RF2","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14.007,1106406,0.81,"RF"
"20210421","RF2","methyl-1H-Indole","Other","Other",17.949,1583702,1.16,"RF"
"20210421","RF2","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.43,24755871,18.06,"RF"
"20210421","RF2","Maltol","PAH","PAH",12.262,565071,0.41,"RF"
"20210421","RF2","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.172,850561,0.62,"RF"
"20210421","RF2","2,3-Anhydro-d-mannosan","PAH","PAH",14.5,24961,0.02,"RF"
"20210421","RF2","2-Naphthalenol","PAH","PAH",20.28,186849,0.14,"RF"
"20210421","RF2","Phenol","Ph","Ph",9.761,2284879,1.67,"RF"
"20210421","RF2","2-ethyl Phenol","Ph","Ph",NA,NA,NA,"RF"
"20210421","RF2","2,3-dimethyl- 3-Phenol","Ph","Ph",14.281,185967,0.14,"RF"
"20210421","RF2","Catechol","Ph","Ph",14.385,5717918,4.17,"RF"
"20210421","RF2","3-methoxy catechol","Ph","Ph",15.618,276522,0.2,"RF"
"20210421","RF2","4-methyl-1,2-Benzenediol","Ph","Ph",16.239,930866,0.68,"RF"
"20210421","RF2","Orcinol","Ph","Ph",17.72,928482,0.68,"RF"
"20210421","RF2","1,2,3-Benzenetriol","Ph","Ph",17.946,8578870,6.26,"RF"
"20210421","RF2","2,6-Dimethoxyhydroquinone","Ph","Ph",22.448,115175,0.08,"RF"
"20210421","RF2","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",NA,NA,NA,"RF"
"20210421","RF2","2-Furanmethanol","Ps","Ps",6.636,1003343,0.73,"RF"
"20210421","RF2","2(5H)-Furanone","Ps","Ps",7.298,2076667,1.52,"RF"
"20210421","RF2","Furan","Ps","Ps",7.893,454131,0.33,"RF"
"20210421","RF2","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.92,1398133,1.02,"RF"
"20210421","RF2","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.482,630557,0.46,"RF"
"20210421","RF2","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.138,739095,0.54,"RF"
"20210421","RF2","5-Hydroxymethylfurfural","Ps","Ps",14.614,1508391,1.1,"RF"
"20210421","RF2","D-Allose","Ps","Ps",19.295,7208627,5.26,"RF"
"20210421","RF2","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"RF"
"20210421","RF2","Furfural","Te","Te",6.001,1586505,1.16,"RF"
"20210421","RF2","Limonene","Te","Te",11.045,65734,0.05,"RF"
"20210421","RF2","Phytane","Te","Te",NA,NA,NA,"RF"
"20210421","RF2","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",27.308,5827824,4.25,"RF"
"20210421","RL1","1,3-dione-4-Cyclopentene","Al","Al",7.005,196610,0.16,"RL"
"20210421","RL1","1,2-Cyclopentanedione","Al","Al",7.971,3000645,2.42,"RL"
"20210421","RL1","3-methyl-2-Cyclopenten-1-one","Al","Al",8.882,202465,0.16,"RL"
"20210421","RL1","3-methyl-1,2-Cyclopentanedione","Al","Al",10.384,981037,0.79,"RL"
"20210421","RL1","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.677,148450,0.12,"RL"
"20210421","RL1","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"RL"
"20210421","RL1","3-Buten-2-ol","Al","Al",11.369,2380110,1.92,"RL"
"20210421","RL1","Octanoic acid","Al","Al",13.931,203812,0.16,"RL"
"20210421","RL1","5-methyl-1-Undecene","Al","Al",24.463,323710,0.26,"RL"
"20210421","RL1","Neophytadiene","Al","Al",26.057,3065236,2.48,"RL"
"20210421","RL1","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",26.19,728839,0.59,"RL"
"20210421","RL1","Hexadecanoic acid methyl ester","Al","Al",NA,NA,NA,"RL"
"20210421","RL1","n-Hexadecanoic acid","Al","Al",27.517,113479,0.09,"RL"
"20210421","RL1","Decene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Decane","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Nonene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Nonane","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Undecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Undecane","Al","alkane/alkene",13.126,1817792,1.47,"RL"
"20210421","RL1","Dodecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Dodecane","Al","alkane/alkene",15.091,458987,0.37,"RL"
"20210421","RL1","Tridecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Tridecane","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Tetradecene","Al","alkane/alkene",18.659,228183,0.18,"RL"
"20210421","RL1","Tetradecane","Al","alkane/alkene",18.857,309477,0.25,"RL"
"20210421","RL1","Pentadecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Pentadecane","Al","alkane/alkene",20.654,724352,0.59,"RL"
"20210421","RL1","Hexadecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL1","Hexadecane","Al","alkane/alkene",22.353,447609,0.36,"RL"
"20210421","RL1","Heptadecene","Al","alkane/alkene",23.656,438087,0.35,"RL"
"20210421","RL1","Heptadecane","Al","alkane/alkene",23.97,747930,0.6,"RL"
"20210421","RL1","Octadecene","Al","alkane/alkene",25.358,325754,0.26,"RL"
"20210421","RL1","Octadecane","Al","alkane/alkene",25.501,692524,0.56,"RL"
"20210421","RL1","Nonadecene","Al","alkane/alkene",26.827,341050,0.28,"RL"
"20210421","RL1","Nonadecane","Al","alkane/alkene",26.958,901192,0.73,"RL"
"20210421","RL1","Eicosene","Al","alkane/alkene",28.226,396303,0.32,"RL"
"20210421","RL1","Eicosane","Al","alkane/alkene",28.351,1107753,0.9,"RL"
"20210421","RL1","Heneicosene","Al","alkane/alkene",29.565,456850,0.37,"RL"
"20210421","RL1","Heneicosane","Al","alkane/alkene",29.682,1440992,1.16,"RL"
"20210421","RL1","Docosene","Al","alkane/alkene",30.852,592591,0.48,"RL"
"20210421","RL1","Docosane","Al","alkane/alkene",30.956,1948937,1.57,"RL"
"20210421","RL1","Tricosene","Al","alkane/alkene",32.082,936516,0.76,"RL"
"20210421","RL1","Tricosane","Al","alkane/alkene",32.183,1924997,1.56,"RL"
"20210421","RL1","Tetracosene","Al","alkane/alkene",33.263,893445,0.72,"RL"
"20210421","RL1","Tetracosane","Al","alkane/alkene",33.357,2805141,2.27,"RL"
"20210421","RL1","p-Xylene","B","B",7.203,389698,0.31,"RL"
"20210421","RL1","Styrene","B","B",7.63,423670,0.34,"RL"
"20210421","RL1","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"RL"
"20210421","RL1","1,2,4-trimethyl benzene","B","B",10.882,81415,0.07,"RL"
"20210421","RL1","Phenylethyl Alcohol","B","B",NA,NA,NA,"RL"
"20210421","RL1","Benzocycloheptatriene","B","B",16.536,49725,0.04,"RL"
"20210421","RL1","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"RL"
"20210421","RL1","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"RL"
"20210421","RL1","Furaneol","Bf","Bf",11.64,107369,0.09,"RL"
"20210421","RL1","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"RL"
"20210421","RL1","Guaiacol","Lg","LG",11.933,425483,0.34,"RL"
"20210421","RL1","Creosol","Lg","LG",14.241,125481,0.1,"RL"
"20210421","RL1","4-ethylguaiacol","Lg","LG",15.908,137736,0.11,"RL"
"20210421","RL1","4-Vinylguaiacol","Lg","LG",16.671,879865,0.71,"RL"
"20210421","RL1","3-methoxy-5-methylphenol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","Eugenol","Lg","LG",17.551,23573,0.02,"RL"
"20210421","RL1","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","4-Propylguaiacol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","Vanillin","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","cis-Isoeugenol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","trans-Isoeugenol","Lg","LG",19.259,207335,0.17,"RL"
"20210421","RL1","Acetovanillone","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","Guaiacylacetone","Lg","LG",20.451,153080,0.12,"RL"
"20210421","RL1","4-Butylguaiacol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","cis-Coniferylalcohol","Lg","LG",22.86,61316,0.05,"RL"
"20210421","RL1","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"RL"
"20210421","RL1","trans-Coniferylalcohol","Lg","LG",23.916,516919,0.42,"RL"
"20210421","RL1","o-Cresol","Lg","LH",NA,NA,NA,"RL"
"20210421","RL1","p-m-Cresol","Lg","LH",11.702,5885477,4.76,"RL"
"20210421","RL1","2,4-dimethylphenol","Lg","LH",13.355,421754,0.34,"RL"
"20210421","RL1","4-ethylphenol","Lg","LH",13.749,1791647,1.45,"RL"
"20210421","RL1","4-vinylphenol","Lg","LH",14.717,3973948,3.21,"RL"
"20210421","RL1","Hydroquinone","Lg","LH",15.723,6893399,5.57,"RL"
"20210421","RL1","4-propenylphenol","Lg","LH",NA,NA,NA,"RL"
"20210421","RL1","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"RL"
"20210421","RL1","Syringol","Lg","LS",17.204,766545,0.62,"RL"
"20210421","RL1","4-methyl syringol","Lg","LS",19.058,129012,0.1,"RL"
"20210421","RL1","4-ethylsyringol","Lg","LS",20.499,199930,0.16,"RL"
"20210421","RL1","4-Vinylsyringol","Lg","LS",21.119,1093937,0.88,"RL"
"20210421","RL1","4-Allylsyringol","Lg","LS",NA,NA,NA,"RL"
"20210421","RL1","Homosyringaldehyde","Lg","LS",NA,NA,NA,"RL"
"20210421","RL1","Syringaldehyde","Lg","LS",NA,NA,NA,"RL"
"20210421","RL1","cis-4-Propenylsyringol","Lg","LS",22.581,46665,0.04,"RL"
"20210421","RL1","trans-4-Propenylsyringol","Lg","LS",23.377,301136,0.24,"RL"
"20210421","RL1","Acetosyringone","Lg","LS",23.722,85132,0.07,"RL"
"20210421","RL1","Syringylacetone","Lg","LS",24.258,217263,0.18,"RL"
"20210421","RL1","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"RL"
"20210421","RL1","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"RL"
"20210421","RL1","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"RL"
"20210421","RL1","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"RL"
"20210421","RL1","trans-Sinapylalcohol","Lg","LS",27.486,216780,0.18,"RL"
"20210421","RL1","3-methyl-1H-Pyrrole","N","N",6.27,364621,0.29,"RL"
"20210421","RL1","Isoamyl cyanide","N","N",NA,NA,NA,"RL"
"20210421","RL1","2-methyl-1H-Pyrrole","N","N",6.527,257501,0.21,"RL"
"20210421","RL1","3-methyl-Pyridine","N","N",6.795,251084,0.2,"RL"
"20210421","RL1","Butanedioic acid","N","N",NA,NA,NA,"RL"
"20210421","RL1","1H-Pyrrole-2,5-dione","N","N",9.343,318760,0.26,"RL"
"20210421","RL1","Indole","N","N",16.09,8038900,6.5,"RL"
"20210421","RL1","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.639,1555538,1.26,"RL"
"20210421","RL1","3-Isobutyl-2,5-piperazinedione","N","N",23.824,1077252,0.87,"RL"
"20210421","RL1","Cyclo(L-prolyl-L-valine)","N","N",24.691,502552,0.41,"RL"
"20210421","RL1","Pyrimethanil","N","N",NA,NA,NA,"RL"
"20210421","RL1","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.443,2798771,2.26,"RL"
"20210421","RL1","3-phenylmethyl-2,5-Piperazinedione","N","N",29.513,698695,0.56,"RL"
"20210421","RL1","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.624,1095485,0.89,"RL"
"20210421","RL1","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.519,174673,0.14,"RL"
"20210421","RL1","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.093,174903,0.14,"RL"
"20210421","RL1","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.418,1056045,0.85,"RL"
"20210421","RL1","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14.037,228480,0.18,"RL"
"20210421","RL1","methyl-1H-Indole","Other","Other",17.95,4455649,3.6,"RL"
"20210421","RL1","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.4,22521449,18.2,"RL"
"20210421","RL1","Maltol","PAH","PAH",12.271,453234,0.37,"RL"
"20210421","RL1","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.17,593765,0.48,"RL"
"20210421","RL1","2,3-Anhydro-d-mannosan","PAH","PAH",14.507,19744,0.02,"RL"
"20210421","RL1","2-Naphthalenol","PAH","PAH",20.286,93047,0.08,"RL"
"20210421","RL1","Phenol","Ph","Ph",9.763,3817268,3.08,"RL"
"20210421","RL1","2-ethyl Phenol","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL1","2,3-dimethyl- 3-Phenol","Ph","Ph",14.293,51700,0.04,"RL"
"20210421","RL1","Catechol","Ph","Ph",14.396,3523189,2.85,"RL"
"20210421","RL1","3-methoxy catechol","Ph","Ph",15.615,283072,0.23,"RL"
"20210421","RL1","4-methyl-1,2-Benzenediol","Ph","Ph",16.267,56268,0.05,"RL"
"20210421","RL1","Orcinol","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL1","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL1","2,6-Dimethoxyhydroquinone","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL1","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",26.115,55133,0.04,"RL"
"20210421","RL1","2-Furanmethanol","Ps","Ps",6.662,309940,0.25,"RL"
"20210421","RL1","2(5H)-Furanone","Ps","Ps",7.349,1112426,0.9,"RL"
"20210421","RL1","Furan","Ps","Ps",7.869,2225074,1.8,"RL"
"20210421","RL1","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.941,616323,0.5,"RL"
"20210421","RL1","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.496,72426,0.06,"RL"
"20210421","RL1","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.145,152756,0.12,"RL"
"20210421","RL1","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"RL"
"20210421","RL1","D-Allose","Ps","Ps",19.273,3293054,2.66,"RL"
"20210421","RL1","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"RL"
"20210421","RL1","Furfural","Te","Te",6.013,919497,0.74,"RL"
"20210421","RL1","Limonene","Te","Te",11.05,2687695,2.17,"RL"
"20210421","RL1","Phytane","Te","Te",20.038,246745,0.2,"RL"
"20210421","RL1","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",27.309,729087,0.59,"RL"
"20210421","RL2","1,3-dione-4-Cyclopentene","Al","Al",6.991,202413,0.16,"RL"
"20210421","RL2","1,2-Cyclopentanedione","Al","Al",7.973,3094260,2.37,"RL"
"20210421","RL2","3-methyl-2-Cyclopenten-1-one","Al","Al",8.88,171316,0.13,"RL"
"20210421","RL2","3-methyl-1,2-Cyclopentanedione","Al","Al",10.384,918027,0.7,"RL"
"20210421","RL2","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.677,152065,0.12,"RL"
"20210421","RL2","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"RL"
"20210421","RL2","3-Buten-2-ol","Al","Al",11.371,2230535,1.71,"RL"
"20210421","RL2","Octanoic acid","Al","Al",13.925,115002,0.09,"RL"
"20210421","RL2","5-methyl-1-Undecene","Al","Al",24.464,309855,0.24,"RL"
"20210421","RL2","Neophytadiene","Al","Al",26.056,3020152,2.32,"RL"
"20210421","RL2","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",26.188,730417,0.56,"RL"
"20210421","RL2","Hexadecanoic acid methyl ester","Al","Al",NA,NA,NA,"RL"
"20210421","RL2","n-Hexadecanoic acid","Al","Al",27.513,93735,0.07,"RL"
"20210421","RL2","Decene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Decane","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Nonene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Nonane","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Undecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Undecane","Al","alkane/alkene",13.128,1801821,1.38,"RL"
"20210421","RL2","Dodecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Dodecane","Al","alkane/alkene",15.093,460818,0.35,"RL"
"20210421","RL2","Tridecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Tridecane","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Tetradecene","Al","alkane/alkene",18.659,206022,0.16,"RL"
"20210421","RL2","Tetradecane","Al","alkane/alkene",18.858,404948,0.31,"RL"
"20210421","RL2","Pentadecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Pentadecane","Al","alkane/alkene",20.653,685547,0.53,"RL"
"20210421","RL2","Hexadecene","Al","alkane/alkene",NA,NA,NA,"RL"
"20210421","RL2","Hexadecane","Al","alkane/alkene",22.358,447391,0.34,"RL"
"20210421","RL2","Heptadecene","Al","alkane/alkene",23.668,506532,0.39,"RL"
"20210421","RL2","Heptadecane","Al","alkane/alkene",23.971,690846,0.53,"RL"
"20210421","RL2","Octadecene","Al","alkane/alkene",25.357,310940,0.24,"RL"
"20210421","RL2","Octadecane","Al","alkane/alkene",25.503,679237,0.52,"RL"
"20210421","RL2","Nonadecene","Al","alkane/alkene",26.826,324952,0.25,"RL"
"20210421","RL2","Nonadecane","Al","alkane/alkene",26.96,887508,0.68,"RL"
"20210421","RL2","Eicosene","Al","alkane/alkene",28.224,449152,0.34,"RL"
"20210421","RL2","Eicosane","Al","alkane/alkene",28.351,1141952,0.88,"RL"
"20210421","RL2","Heneicosene","Al","alkane/alkene",29.565,454548,0.35,"RL"
"20210421","RL2","Heneicosane","Al","alkane/alkene",29.683,1379765,1.06,"RL"
"20210421","RL2","Docosene","Al","alkane/alkene",30.85,587223,0.45,"RL"
"20210421","RL2","Docosane","Al","alkane/alkene",30.958,1871636,1.43,"RL"
"20210421","RL2","Tricosene","Al","alkane/alkene",32.082,879365,0.67,"RL"
"20210421","RL2","Tricosane","Al","alkane/alkene",32.182,1871285,1.43,"RL"
"20210421","RL2","Tetracosene","Al","alkane/alkene",33.265,840918,0.64,"RL"
"20210421","RL2","Tetracosane","Al","alkane/alkene",33.358,2672218,2.05,"RL"
"20210421","RL2","p-Xylene","B","B",7.204,370278,0.28,"RL"
"20210421","RL2","Styrene","B","B",7.626,416344,0.32,"RL"
"20210421","RL2","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"RL"
"20210421","RL2","1,2,4-trimethyl benzene","B","B",10.89,97468,0.07,"RL"
"20210421","RL2","Phenylethyl Alcohol","B","B",NA,NA,NA,"RL"
"20210421","RL2","Benzocycloheptatriene","B","B",16.541,82608,0.06,"RL"
"20210421","RL2","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"RL"
"20210421","RL2","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"RL"
"20210421","RL2","Furaneol","Bf","Bf",11.639,92651,0.07,"RL"
"20210421","RL2","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"RL"
"20210421","RL2","Guaiacol","Lg","LG",11.934,420984,0.32,"RL"
"20210421","RL2","Creosol","Lg","LG",14.241,112015,0.09,"RL"
"20210421","RL2","4-ethylguaiacol","Lg","LG",15.91,145254,0.11,"RL"
"20210421","RL2","4-Vinylguaiacol","Lg","LG",16.668,882029,0.68,"RL"
"20210421","RL2","3-methoxy-5-methylphenol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL2","Eugenol","Lg","LG",17.549,22182,0.02,"RL"
"20210421","RL2","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL2","4-Propylguaiacol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL2","Vanillin","Lg","LG",18.118,47334,0.04,"RL"
"20210421","RL2","cis-Isoeugenol","Lg","LG",18.501,32131,0.02,"RL"
"20210421","RL2","trans-Isoeugenol","Lg","LG",19.262,196409,0.15,"RL"
"20210421","RL2","Acetovanillone","Lg","LG",NA,NA,NA,"RL"
"20210421","RL2","Guaiacylacetone","Lg","LG",20.452,150780,0.12,"RL"
"20210421","RL2","4-Butylguaiacol","Lg","LG",NA,NA,NA,"RL"
"20210421","RL2","cis-Coniferylalcohol","Lg","LG",22.861,60967,0.05,"RL"
"20210421","RL2","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"RL"
"20210421","RL2","trans-Coniferylalcohol","Lg","LG",23.907,559759,0.43,"RL"
"20210421","RL2","o-Cresol","Lg","LH",NA,NA,NA,"RL"
"20210421","RL2","p-m-Cresol","Lg","LH",11.698,5598258,4.29,"RL"
"20210421","RL2","2,4-dimethylphenol","Lg","LH",13.363,457001,0.35,"RL"
"20210421","RL2","4-ethylphenol","Lg","LH",13.735,1720028,1.32,"RL"
"20210421","RL2","4-vinylphenol","Lg","LH",14.72,3876889,2.97,"RL"
"20210421","RL2","Hydroquinone","Lg","LH",15.724,7317011,5.61,"RL"
"20210421","RL2","4-propenylphenol","Lg","LH",NA,NA,NA,"RL"
"20210421","RL2","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"RL"
"20210421","RL2","Syringol","Lg","LS",17.207,504574,0.39,"RL"
"20210421","RL2","4-methyl syringol","Lg","LS",19.059,101338,0.08,"RL"
"20210421","RL2","4-ethylsyringol","Lg","LS",20.504,109146,0.08,"RL"
"20210421","RL2","4-Vinylsyringol","Lg","LS",21.12,1023648,0.78,"RL"
"20210421","RL2","4-Allylsyringol","Lg","LS",21.656,29936,0.02,"RL"
"20210421","RL2","Homosyringaldehyde","Lg","LS",NA,NA,NA,"RL"
"20210421","RL2","Syringaldehyde","Lg","LS",NA,NA,NA,"RL"
"20210421","RL2","cis-4-Propenylsyringol","Lg","LS",22.584,34893,0.03,"RL"
"20210421","RL2","trans-4-Propenylsyringol","Lg","LS",23.378,236621,0.18,"RL"
"20210421","RL2","Acetosyringone","Lg","LS",23.723,91026,0.07,"RL"
"20210421","RL2","Syringylacetone","Lg","LS",24.263,173474,0.13,"RL"
"20210421","RL2","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"RL"
"20210421","RL2","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"RL"
"20210421","RL2","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"RL"
"20210421","RL2","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"RL"
"20210421","RL2","trans-Sinapylalcohol","Lg","LS",27.487,184219,0.14,"RL"
"20210421","RL2","3-methyl-1H-Pyrrole","N","N",6.268,402563,0.31,"RL"
"20210421","RL2","Isoamyl cyanide","N","N",NA,NA,NA,"RL"
"20210421","RL2","2-methyl-1H-Pyrrole","N","N",6.521,248935,0.19,"RL"
"20210421","RL2","3-methyl-Pyridine","N","N",6.79,219282,0.17,"RL"
"20210421","RL2","Butanedioic acid","N","N",NA,NA,NA,"RL"
"20210421","RL2","1H-Pyrrole-2,5-dione","N","N",9.338,305833,0.23,"RL"
"20210421","RL2","Indole","N","N",16.094,8134381,6.24,"RL"
"20210421","RL2","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.65,1580950,1.21,"RL"
"20210421","RL2","3-Isobutyl-2,5-piperazinedione","N","N",23.827,1176439,0.9,"RL"
"20210421","RL2","Cyclo(L-prolyl-L-valine)","N","N",24.693,550352,0.42,"RL"
"20210421","RL2","Pyrimethanil","N","N",NA,NA,NA,"RL"
"20210421","RL2","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.443,2852000,2.19,"RL"
"20210421","RL2","3-phenylmethyl-2,5-Piperazinedione","N","N",29.506,1589707,1.22,"RL"
"20210421","RL2","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.624,1849148,1.42,"RL"
"20210421","RL2","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.519,171876,0.13,"RL"
"20210421","RL2","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.095,165642,0.13,"RL"
"20210421","RL2","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.426,887159,0.68,"RL"
"20210421","RL2","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14.03,223934,0.17,"RL"
"20210421","RL2","methyl-1H-Indole","Other","Other",17.949,4390719,3.37,"RL"
"20210421","RL2","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.465,28826384,22.1,"RL"
"20210421","RL2","Maltol","PAH","PAH",12.273,449185,0.34,"RL"
"20210421","RL2","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.172,558289,0.43,"RL"
"20210421","RL2","2,3-Anhydro-d-mannosan","PAH","PAH",14.505,14818,0.01,"RL"
"20210421","RL2","2-Naphthalenol","PAH","PAH",20.289,96809,0.07,"RL"
"20210421","RL2","Phenol","Ph","Ph",9.763,3855291,2.96,"RL"
"20210421","RL2","2-ethyl Phenol","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL2","2,3-dimethyl- 3-Phenol","Ph","Ph",14.284,80794,0.06,"RL"
"20210421","RL2","Catechol","Ph","Ph",14.406,3367912,2.58,"RL"
"20210421","RL2","3-methoxy catechol","Ph","Ph",15.611,273069,0.21,"RL"
"20210421","RL2","4-methyl-1,2-Benzenediol","Ph","Ph",16.288,77265,0.06,"RL"
"20210421","RL2","Orcinol","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL2","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL2","2,6-Dimethoxyhydroquinone","Ph","Ph",NA,NA,NA,"RL"
"20210421","RL2","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",26.113,58282,0.04,"RL"
"20210421","RL2","2-Furanmethanol","Ps","Ps",6.662,296377,0.23,"RL"
"20210421","RL2","2(5H)-Furanone","Ps","Ps",7.341,1127530,0.86,"RL"
"20210421","RL2","Furan","Ps","Ps",7.867,2373536,1.82,"RL"
"20210421","RL2","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.944,586227,0.45,"RL"
"20210421","RL2","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.494,72361,0.06,"RL"
"20210421","RL2","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.145,151110,0.12,"RL"
"20210421","RL2","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"RL"
"20210421","RL2","D-Allose","Ps","Ps",19.271,3277920,2.51,"RL"
"20210421","RL2","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"RL"
"20210421","RL2","Furfural","Te","Te",6.016,948425,0.73,"RL"
"20210421","RL2","Limonene","Te","Te",11.048,2571413,1.97,"RL"
"20210421","RL2","Phytane","Te","Te",20.043,282724,0.22,"RL"
"20210421","RL2","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",27.31,606442,0.46,"RL"
"20210421","RS1","1,3-dione-4-Cyclopentene","Al","Al",6.964,554263,0.31,"RS"
"20210421","RS1","1,2-Cyclopentanedione","Al","Al",7.966,9574293,5.31,"RS"
"20210421","RS1","3-methyl-2-Cyclopenten-1-one","Al","Al",8.859,579598,0.32,"RS"
"20210421","RS1","3-methyl-1,2-Cyclopentanedione","Al","Al",10.37,2486451,1.38,"RS"
"20210421","RS1","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.675,251829,0.14,"RS"
"20210421","RS1","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"RS"
"20210421","RS1","3-Buten-2-ol","Al","Al",11.366,8400378,4.66,"RS"
"20210421","RS1","Octanoic acid","Al","Al",13.915,218458,0.12,"RS"
"20210421","RS1","5-methyl-1-Undecene","Al","Al",24.459,163147,0.09,"RS"
"20210421","RS1","Neophytadiene","Al","Al",26.05,227411,0.13,"RS"
"20210421","RS1","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",26.178,83527,0.05,"RS"
"20210421","RS1","Hexadecanoic acid methyl ester","Al","Al",27.078,40638,0.02,"RS"
"20210421","RS1","n-Hexadecanoic acid","Al","Al",NA,NA,NA,"RS"
"20210421","RS1","Decene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Decane","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Nonene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Nonane","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Undecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Undecane","Al","alkane/alkene",13.156,1972637,1.09,"RS"
"20210421","RS1","Dodecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Dodecane","Al","alkane/alkene",15.103,971679,0.54,"RS"
"20210421","RS1","Tridecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Tridecane","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Tetradecene","Al","alkane/alkene",18.652,187560,0.1,"RS"
"20210421","RS1","Tetradecane","Al","alkane/alkene",18.85,282066,0.16,"RS"
"20210421","RS1","Pentadecene","Al","alkane/alkene",20.357,63550,0.04,"RS"
"20210421","RS1","Pentadecane","Al","alkane/alkene",20.648,492578,0.27,"RS"
"20210421","RS1","Hexadecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Hexadecane","Al","alkane/alkene",22.348,283813,0.16,"RS"
"20210421","RS1","Heptadecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS1","Heptadecane","Al","alkane/alkene",23.961,374962,0.21,"RS"
"20210421","RS1","Octadecene","Al","alkane/alkene",25.351,168963,0.09,"RS"
"20210421","RS1","Octadecane","Al","alkane/alkene",25.493,384533,0.21,"RS"
"20210421","RS1","Nonadecene","Al","alkane/alkene",26.821,203140,0.11,"RS"
"20210421","RS1","Nonadecane","Al","alkane/alkene",26.955,453220,0.25,"RS"
"20210421","RS1","Eicosene","Al","alkane/alkene",28.223,221042,0.12,"RS"
"20210421","RS1","Eicosane","Al","alkane/alkene",28.344,569012,0.32,"RS"
"20210421","RS1","Heneicosene","Al","alkane/alkene",29.56,274049,0.15,"RS"
"20210421","RS1","Heneicosane","Al","alkane/alkene",29.676,693603,0.38,"RS"
"20210421","RS1","Docosene","Al","alkane/alkene",30.845,300965,0.17,"RS"
"20210421","RS1","Docosane","Al","alkane/alkene",30.953,1018433,0.56,"RS"
"20210421","RS1","Tricosene","Al","alkane/alkene",32.009,174031,0.1,"RS"
"20210421","RS1","Tricosane","Al","alkane/alkene",32.177,1126010,0.62,"RS"
"20210421","RS1","Tetracosene","Al","alkane/alkene",33.26,481279,0.27,"RS"
"20210421","RS1","Tetracosane","Al","alkane/alkene",33.353,1626931,0.9,"RS"
"20210421","RS1","p-Xylene","B","B",7.198,54911,0.03,"RS"
"20210421","RS1","Styrene","B","B",7.616,135770,0.08,"RS"
"20210421","RS1","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"RS"
"20210421","RS1","1,2,4-trimethyl benzene","B","B",NA,NA,NA,"RS"
"20210421","RS1","Phenylethyl Alcohol","B","B",NA,NA,NA,"RS"
"20210421","RS1","Benzocycloheptatriene","B","B",16.529,101870,0.06,"RS"
"20210421","RS1","3,4,5-Trimethoxytoluene","B","B",18.246,32424,0.02,"RS"
"20210421","RS1","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",23.181,119952,0.07,"RS"
"20210421","RS1","Furaneol","Bf","Bf",11.626,43800,0.02,"RS"
"20210421","RS1","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"RS"
"20210421","RS1","Guaiacol","Lg","LG",11.922,2650475,1.47,"RS"
"20210421","RS1","Creosol","Lg","LG",14.231,933787,0.52,"RS"
"20210421","RS1","4-ethylguaiacol","Lg","LG",15.896,397271,0.22,"RS"
"20210421","RS1","4-Vinylguaiacol","Lg","LG",16.656,4052393,2.25,"RS"
"20210421","RS1","3-methoxy-5-methylphenol","Lg","LG",16.716,330206,0.18,"RS"
"20210421","RS1","Eugenol","Lg","LG",17.539,244287,0.14,"RS"
"20210421","RS1","3,4-dimethoxy-Phenol","Lg","LG",17.585,430636,0.24,"RS"
"20210421","RS1","4-Propylguaiacol","Lg","LG",17.783,264104,0.15,"RS"
"20210421","RS1","Vanillin","Lg","LG",18.047,394099,0.22,"RS"
"20210421","RS1","cis-Isoeugenol","Lg","LG",18.489,178477,0.1,"RS"
"20210421","RS1","trans-Isoeugenol","Lg","LG",19.247,1646581,0.91,"RS"
"20210421","RS1","Acetovanillone","Lg","LG",19.677,426124,0.24,"RS"
"20210421","RS1","Guaiacylacetone","Lg","LG",20.437,1248996,0.69,"RS"
"20210421","RS1","4-Butylguaiacol","Lg","LG",NA,NA,NA,"RS"
"20210421","RS1","cis-Coniferylalcohol","Lg","LG",22.843,452147,0.25,"RS"
"20210421","RS1","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"RS"
"20210421","RS1","trans-Coniferylalcohol","Lg","LG",23.859,6678137,3.7,"RS"
"20210421","RS1","o-Cresol","Lg","LH",NA,NA,NA,"RS"
"20210421","RS1","p-m-Cresol","Lg","LH",11.787,3216172,1.78,"RS"
"20210421","RS1","2,4-dimethylphenol","Lg","LH",13.353,766704,0.42,"RS"
"20210421","RS1","4-ethylphenol","Lg","LH",13.747,1847915,1.02,"RS"
"20210421","RS1","4-vinylphenol","Lg","LH",14.717,1064809,0.59,"RS"
"20210421","RS1","Hydroquinone","Lg","LH",15.738,6351692,3.52,"RS"
"20210421","RS1","4-propenylphenol","Lg","LH",NA,NA,NA,"RS"
"20210421","RS1","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"RS"
"20210421","RS1","Syringol","Lg","LS",17.185,7816705,4.33,"RS"
"20210421","RS1","4-methyl syringol","Lg","LS",19.042,2137426,1.18,"RS"
"20210421","RS1","4-ethylsyringol","Lg","LS",20.489,1994670,1.11,"RS"
"20210421","RS1","4-Vinylsyringol","Lg","LS",21.108,11920708,6.61,"RS"
"20210421","RS1","4-Allylsyringol","Lg","LS",21.772,611641,0.34,"RS"
"20210421","RS1","Homosyringaldehyde","Lg","LS",21.944,394026,0.22,"RS"
"20210421","RS1","Syringaldehyde","Lg","LS",22.482,942119,0.52,"RS"
"20210421","RS1","cis-4-Propenylsyringol","Lg","LS",22.574,486822,0.27,"RS"
"20210421","RS1","trans-4-Propenylsyringol","Lg","LS",23.366,3942144,2.18,"RS"
"20210421","RS1","Acetosyringone","Lg","LS",23.705,1021727,0.57,"RS"
"20210421","RS1","Syringylacetone","Lg","LS",24.249,3269982,1.81,"RS"
"20210421","RS1","Syringyl vinyl ketone","Lg","LS",25.142,243273,0.13,"RS"
"20210421","RS1","cis-Sinapylalcohol","Lg","LS",26.417,442286,0.25,"RS"
"20210421","RS1","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"RS"
"20210421","RS1","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"RS"
"20210421","RS1","trans-Sinapylalcohol","Lg","LS",27.463,7088984,3.93,"RS"
"20210421","RS1","3-methyl-1H-Pyrrole","N","N",6.244,272677,0.15,"RS"
"20210421","RS1","Isoamyl cyanide","N","N",NA,NA,NA,"RS"
"20210421","RS1","2-methyl-1H-Pyrrole","N","N",6.513,159369,0.09,"RS"
"20210421","RS1","3-methyl-Pyridine","N","N",6.775,178857,0.1,"RS"
"20210421","RS1","Butanedioic acid","N","N",8.854,275534,0.15,"RS"
"20210421","RS1","1H-Pyrrole-2,5-dione","N","N",9.324,141843,0.08,"RS"
"20210421","RS1","Indole","N","N",16.092,1693424,0.94,"RS"
"20210421","RS1","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.647,169573,0.09,"RS"
"20210421","RS1","3-Isobutyl-2,5-piperazinedione","N","N",NA,NA,NA,"RS"
"20210421","RS1","Cyclo(L-prolyl-L-valine)","N","N",24.695,78719,0.04,"RS"
"20210421","RS1","Pyrimethanil","N","N",NA,NA,NA,"RS"
"20210421","RS1","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.462,418761,0.23,"RS"
"20210421","RS1","3-phenylmethyl-2,5-Piperazinedione","N","N",29.508,332875,0.18,"RS"
"20210421","RS1","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.615,354541,0.2,"RS"
"20210421","RS1","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.51,471927,0.26,"RS"
"20210421","RS1","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.081,381311,0.21,"RS"
"20210421","RS1","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.404,2540628,1.41,"RS"
"20210421","RS1","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14.009,659060,0.37,"RS"
"20210421","RS1","methyl-1H-Indole","Other","Other",17.944,934902,0.52,"RS"
"20210421","RS1","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.335,24892045,13.8,"RS"
"20210421","RS1","Maltol","PAH","PAH",12.262,625461,0.35,"RS"
"20210421","RS1","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.17,1130049,0.63,"RS"
"20210421","RS1","2,3-Anhydro-d-mannosan","PAH","PAH",14.498,195358,0.11,"RS"
"20210421","RS1","2-Naphthalenol","PAH","PAH",20.286,148858,0.08,"RS"
"20210421","RS1","Phenol","Ph","Ph",9.768,2164385,1.2,"RS"
"20210421","RS1","2-ethyl Phenol","Ph","Ph",NA,NA,NA,"RS"
"20210421","RS1","2,3-dimethyl- 3-Phenol","Ph","Ph",14.269,161094,0.09,"RS"
"20210421","RS1","Catechol","Ph","Ph",14.382,5952415,3.3,"RS"
"20210421","RS1","3-methoxy catechol","Ph","Ph",15.591,2184411,1.21,"RS"
"20210421","RS1","4-methyl-1,2-Benzenediol","Ph","Ph",16.248,337755,0.19,"RS"
"20210421","RS1","Orcinol","Ph","Ph",NA,NA,NA,"RS"
"20210421","RS1","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"RS"
"20210421","RS1","2,6-Dimethoxyhydroquinone","Ph","Ph",22.447,215926,0.12,"RS"
"20210421","RS1","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",26.105,252080,0.14,"RS"
"20210421","RS1","2-Furanmethanol","Ps","Ps",6.632,1716451,0.95,"RS"
"20210421","RS1","2(5H)-Furanone","Ps","Ps",7.276,4679549,2.59,"RS"
"20210421","RS1","Furan","Ps","Ps",7.857,1679041,0.93,"RS"
"20210421","RS1","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.922,1074550,0.6,"RS"
"20210421","RS1","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.482,170142,0.09,"RS"
"20210421","RS1","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.133,254877,0.14,"RS"
"20210421","RS1","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"RS"
"20210421","RS1","D-Allose","Ps","Ps",19.292,7747357,4.29,"RS"
"20210421","RS1","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"RS"
"20210421","RS1","Furfural","Te","Te",6.001,2508125,1.39,"RS"
"20210421","RS1","Limonene","Te","Te",11.041,37069,0.02,"RS"
"20210421","RS1","Phytane","Te","Te",NA,NA,NA,"RS"
"20210421","RS1","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",27.304,1963170,1.09,"RS"
"20210421","RS2","1,3-dione-4-Cyclopentene","Al","Al",6.974,478236,0.25,"RS"
"20210421","RS2","1,2-Cyclopentanedione","Al","Al",7.978,8207780,4.34,"RS"
"20210421","RS2","3-methyl-2-Cyclopenten-1-one","Al","Al",8.868,373582,0.2,"RS"
"20210421","RS2","3-methyl-1,2-Cyclopentanedione","Al","Al",10.382,2248890,1.19,"RS"
"20210421","RS2","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.688,240209,0.13,"RS"
"20210421","RS2","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"RS"
"20210421","RS2","3-Buten-2-ol","Al","Al",11.376,7853985,4.15,"RS"
"20210421","RS2","Octanoic acid","Al","Al",13.933,500904,0.26,"RS"
"20210421","RS2","5-methyl-1-Undecene","Al","Al",24.471,259273,0.14,"RS"
"20210421","RS2","Neophytadiene","Al","Al",26.058,225666,0.12,"RS"
"20210421","RS2","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",26.193,95189,0.05,"RS"
"20210421","RS2","Hexadecanoic acid methyl ester","Al","Al",27.082,48719,0.03,"RS"
"20210421","RS2","n-Hexadecanoic acid","Al","Al",NA,NA,NA,"RS"
"20210421","RS2","Decene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Decane","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Nonene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Nonane","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Undecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Undecane","Al","alkane/alkene",13.163,2250899,1.19,"RS"
"20210421","RS2","Dodecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Dodecane","Al","alkane/alkene",15.123,848050,0.45,"RS"
"20210421","RS2","Tridecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Tridecane","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Tetradecene","Al","alkane/alkene",18.664,213848,0.11,"RS"
"20210421","RS2","Tetradecane","Al","alkane/alkene",18.86,391424,0.21,"RS"
"20210421","RS2","Pentadecene","Al","alkane/alkene",20.376,71508,0.04,"RS"
"20210421","RS2","Pentadecane","Al","alkane/alkene",20.661,655849,0.35,"RS"
"20210421","RS2","Hexadecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Hexadecane","Al","alkane/alkene",22.36,359116,0.19,"RS"
"20210421","RS2","Heptadecene","Al","alkane/alkene",NA,NA,NA,"RS"
"20210421","RS2","Heptadecane","Al","alkane/alkene",23.973,704535,0.37,"RS"
"20210421","RS2","Octadecene","Al","alkane/alkene",25.363,237113,0.13,"RS"
"20210421","RS2","Octadecane","Al","alkane/alkene",25.507,513311,0.27,"RS"
"20210421","RS2","Nonadecene","Al","alkane/alkene",26.828,300227,0.16,"RS"
"20210421","RS2","Nonadecane","Al","alkane/alkene",26.965,655262,0.35,"RS"
"20210421","RS2","Eicosene","Al","alkane/alkene",28.231,331847,0.18,"RS"
"20210421","RS2","Eicosane","Al","alkane/alkene",28.358,859251,0.45,"RS"
"20210421","RS2","Heneicosene","Al","alkane/alkene",29.57,412398,0.22,"RS"
"20210421","RS2","Heneicosane","Al","alkane/alkene",29.683,1061059,0.56,"RS"
"20210421","RS2","Docosene","Al","alkane/alkene",30.857,454403,0.24,"RS"
"20210421","RS2","Docosane","Al","alkane/alkene",30.963,1671801,0.88,"RS"
"20210421","RS2","Tricosene","Al","alkane/alkene",32.018,118361,0.06,"RS"
"20210421","RS2","Tricosane","Al","alkane/alkene",32.186,1860329,0.98,"RS"
"20210421","RS2","Tetracosene","Al","alkane/alkene",33.27,837177,0.44,"RS"
"20210421","RS2","Tetracosane","Al","alkane/alkene",33.362,3076722,1.63,"RS"
"20210421","RS2","p-Xylene","B","B",7.207,60354,0.03,"RS"
"20210421","RS2","Styrene","B","B",7.63,148190,0.08,"RS"
"20210421","RS2","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"RS"
"20210421","RS2","1,2,4-trimethyl benzene","B","B",NA,NA,NA,"RS"
"20210421","RS2","Phenylethyl Alcohol","B","B",NA,NA,NA,"RS"
"20210421","RS2","Benzocycloheptatriene","B","B",16.545,134404,0.07,"RS"
"20210421","RS2","3,4,5-Trimethoxytoluene","B","B",18.262,24673,0.01,"RS"
"20210421","RS2","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",23.193,108640,0.06,"RS"
"20210421","RS2","Furaneol","Bf","Bf",11.638,69274,0.04,"RS"
"20210421","RS2","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"RS"
"20210421","RS2","Guaiacol","Lg","LG",11.936,2655819,1.4,"RS"
"20210421","RS2","Creosol","Lg","LG",14.245,802914,0.42,"RS"
"20210421","RS2","4-ethylguaiacol","Lg","LG",15.912,376089,0.2,"RS"
"20210421","RS2","4-Vinylguaiacol","Lg","LG",16.666,3899737,2.06,"RS"
"20210421","RS2","3-methoxy-5-methylphenol","Lg","LG",16.734,325995,0.17,"RS"
"20210421","RS2","Eugenol","Lg","LG",17.552,258631,0.14,"RS"
"20210421","RS2","3,4-dimethoxy-Phenol","Lg","LG",17.603,374064,0.2,"RS"
"20210421","RS2","4-Propylguaiacol","Lg","LG",17.801,272953,0.14,"RS"
"20210421","RS2","Vanillin","Lg","LG",18.052,366648,0.19,"RS"
"20210421","RS2","cis-Isoeugenol","Lg","LG",18.503,185721,0.1,"RS"
"20210421","RS2","trans-Isoeugenol","Lg","LG",19.259,1612267,0.85,"RS"
"20210421","RS2","Acetovanillone","Lg","LG",19.698,396653,0.21,"RS"
"20210421","RS2","Guaiacylacetone","Lg","LG",20.452,1361576,0.72,"RS"
"20210421","RS2","4-Butylguaiacol","Lg","LG",NA,NA,NA,"RS"
"20210421","RS2","cis-Coniferylalcohol","Lg","LG",22.851,490632,0.26,"RS"
"20210421","RS2","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"RS"
"20210421","RS2","trans-Coniferylalcohol","Lg","LG",23.871,7158163,3.78,"RS"
"20210421","RS2","o-Cresol","Lg","LH",NA,NA,NA,"RS"
"20210421","RS2","p-m-Cresol","Lg","LH",11.806,3393251,1.79,"RS"
"20210421","RS2","2,4-dimethylphenol","Lg","LH",13.398,754994,0.4,"RS"
"20210421","RS2","4-ethylphenol","Lg","LH",13.735,2066114,1.09,"RS"
"20210421","RS2","4-vinylphenol","Lg","LH",14.727,1305331,0.69,"RS"
"20210421","RS2","Hydroquinone","Lg","LH",15.733,6305043,3.33,"RS"
"20210421","RS2","4-propenylphenol","Lg","LH",NA,NA,NA,"RS"
"20210421","RS2","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"RS"
"20210421","RS2","Syringol","Lg","LS",17.199,7637131,4.04,"RS"
"20210421","RS2","4-methyl syringol","Lg","LS",19.056,1957577,1.04,"RS"
"20210421","RS2","4-ethylsyringol","Lg","LS",20.503,1984933,1.05,"RS"
"20210421","RS2","4-Vinylsyringol","Lg","LS",21.12,11155401,5.9,"RS"
"20210421","RS2","4-Allylsyringol","Lg","LS",21.786,597686,0.32,"RS"
"20210421","RS2","Homosyringaldehyde","Lg","LS",21.958,377188,0.2,"RS"
"20210421","RS2","Syringaldehyde","Lg","LS",22.496,916736,0.48,"RS"
"20210421","RS2","cis-4-Propenylsyringol","Lg","LS",22.588,467105,0.25,"RS"
"20210421","RS2","trans-4-Propenylsyringol","Lg","LS",23.38,3800406,2.01,"RS"
"20210421","RS2","Acetosyringone","Lg","LS",23.72,936965,0.5,"RS"
"20210421","RS2","Syringylacetone","Lg","LS",24.261,2992370,1.58,"RS"
"20210421","RS2","Syringyl vinyl ketone","Lg","LS",25.156,232998,0.12,"RS"
"20210421","RS2","cis-Sinapylalcohol","Lg","LS",26.429,473323,0.25,"RS"
"20210421","RS2","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"RS"
"20210421","RS2","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"RS"
"20210421","RS2","trans-Sinapylalcohol","Lg","LS",27.477,7729349,4.09,"RS"
"20210421","RS2","3-methyl-1H-Pyrrole","N","N",6.26,288148,0.15,"RS"
"20210421","RS2","Isoamyl cyanide","N","N",NA,NA,NA,"RS"
"20210421","RS2","2-methyl-1H-Pyrrole","N","N",6.525,159814,0.08,"RS"
"20210421","RS2","3-methyl-Pyridine","N","N",6.797,137609,0.07,"RS"
"20210421","RS2","Butanedioic acid","N","N",8.865,228565,0.12,"RS"
"20210421","RS2","1H-Pyrrole-2,5-dione","N","N",9.345,134787,0.07,"RS"
"20210421","RS2","Indole","N","N",16.108,1616321,0.85,"RS"
"20210421","RS2","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",NA,NA,NA,"RS"
"20210421","RS2","3-Isobutyl-2,5-piperazinedione","N","N",NA,NA,NA,"RS"
"20210421","RS2","Cyclo(L-prolyl-L-valine)","N","N",24.705,79930,0.04,"RS"
"20210421","RS2","Pyrimethanil","N","N",NA,NA,NA,"RS"
"20210421","RS2","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.473,460568,0.24,"RS"
"20210421","RS2","3-phenylmethyl-2,5-Piperazinedione","N","N",NA,NA,NA,"RS"
"20210421","RS2","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.633,297315,0.16,"RS"
"20210421","RS2","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.521,421401,0.22,"RS"
"20210421","RS2","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.095,357546,0.19,"RS"
"20210421","RS2","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.416,2343209,1.24,"RS"
"20210421","RS2","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14.026,571817,0.3,"RS"
"20210421","RS2","methyl-1H-Indole","Other","Other",17.96,1029442,0.54,"RS"
"20210421","RS2","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.373,32617881,17.25,"RS"
"20210421","RS2","Maltol","PAH","PAH",12.28,570085,0.3,"RS"
"20210421","RS2","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.181,1079222,0.57,"RS"
"20210421","RS2","2,3-Anhydro-d-mannosan","PAH","PAH",NA,NA,NA,"RS"
"20210421","RS2","2-Naphthalenol","PAH","PAH",20.293,152281,0.08,"RS"
"20210421","RS2","Phenol","Ph","Ph",9.777,2946876,1.56,"RS"
"20210421","RS2","2-ethyl Phenol","Ph","Ph",NA,NA,NA,"RS"
"20210421","RS2","2,3-dimethyl- 3-Phenol","Ph","Ph",14.288,360325,0.19,"RS"
"20210421","RS2","Catechol","Ph","Ph",14.378,7217196,3.82,"RS"
"20210421","RS2","3-methoxy catechol","Ph","Ph",15.601,1949778,1.03,"RS"
"20210421","RS2","4-methyl-1,2-Benzenediol","Ph","Ph",16.255,654813,0.35,"RS"
"20210421","RS2","Orcinol","Ph","Ph",NA,NA,NA,"RS"
"20210421","RS2","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"RS"
"20210421","RS2","2,6-Dimethoxyhydroquinone","Ph","Ph",22.454,153836,0.08,"RS"
"20210421","RS2","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",26.119,209563,0.11,"RS"
"20210421","RS2","2-Furanmethanol","Ps","Ps",6.643,1378903,0.73,"RS"
"20210421","RS2","2(5H)-Furanone","Ps","Ps",7.292,4097555,2.17,"RS"
"20210421","RS2","Furan","Ps","Ps",7.874,1135152,0.6,"RS"
"20210421","RS2","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.936,1003547,0.53,"RS"
"20210421","RS2","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.496,120656,0.06,"RS"
"20210421","RS2","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.151,213632,0.11,"RS"
"20210421","RS2","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"RS"
"20210421","RS2","D-Allose","Ps","Ps",19.296,7801994,4.13,"RS"
"20210421","RS2","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"RS"
"20210421","RS2","Furfural","Te","Te",6.001,2713805,1.43,"RS"
"20210421","RS2","Limonene","Te","Te",11.048,33701,0.02,"RS"
"20210421","RS2","Phytane","Te","Te",NA,NA,NA,"RS"
"20210421","RS2","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",27.224,9857,0.01,"RS"
"20210421","TC1","1,3-dione-4-Cyclopentene","Al","Al",6.976,291526,0.33,"TC"
"20210421","TC1","1,2-Cyclopentanedione","Al","Al",7.971,3938823,4.46,"TC"
"20210421","TC1","3-methyl-2-Cyclopenten-1-one","Al","Al",8.873,197000,0.22,"TC"
"20210421","TC1","3-methyl-1,2-Cyclopentanedione","Al","Al",10.384,1559704,1.77,"TC"
"20210421","TC1","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.684,185442,0.21,"TC"
"20210421","TC1","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"TC"
"20210421","TC1","3-Buten-2-ol","Al","Al",11.374,2930717,3.32,"TC"
"20210421","TC1","Octanoic acid","Al","Al",NA,NA,NA,"TC"
"20210421","TC1","5-methyl-1-Undecene","Al","Al",24.468,387119,0.44,"TC"
"20210421","TC1","Neophytadiene","Al","Al",26.06,2944162,3.33,"TC"
"20210421","TC1","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",NA,NA,NA,"TC"
"20210421","TC1","Hexadecanoic acid methyl ester","Al","Al",27.085,67269,0.08,"TC"
"20210421","TC1","n-Hexadecanoic acid","Al","Al",NA,NA,NA,"TC"
"20210421","TC1","Decene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Decane","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Nonene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Nonane","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Undecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Undecane","Al","alkane/alkene",13.173,1482610,1.68,"TC"
"20210421","TC1","Dodecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Dodecane","Al","alkane/alkene",15.152,521767,0.59,"TC"
"20210421","TC1","Tridecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Tridecane","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Tetradecene","Al","alkane/alkene",18.666,132699,0.15,"TC"
"20210421","TC1","Tetradecane","Al","alkane/alkene",18.864,354521,0.4,"TC"
"20210421","TC1","Pentadecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Pentadecane","Al","alkane/alkene",20.659,549640,0.62,"TC"
"20210421","TC1","Hexadecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Hexadecane","Al","alkane/alkene",22.197,102600,0.12,"TC"
"20210421","TC1","Heptadecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC1","Heptadecane","Al","alkane/alkene",23.973,217419,0.25,"TC"
"20210421","TC1","Octadecene","Al","alkane/alkene",25.357,107632,0.12,"TC"
"20210421","TC1","Octadecane","Al","alkane/alkene",25.507,218337,0.25,"TC"
"20210421","TC1","Nonadecene","Al","alkane/alkene",26.83,67157,0.08,"TC"
"20210421","TC1","Nonadecane","Al","alkane/alkene",26.964,289856,0.33,"TC"
"20210421","TC1","Eicosene","Al","alkane/alkene",28.23,89692,0.1,"TC"
"20210421","TC1","Eicosane","Al","alkane/alkene",28.351,275037,0.31,"TC"
"20210421","TC1","Heneicosene","Al","alkane/alkene",29.569,54472,0.06,"TC"
"20210421","TC1","Heneicosane","Al","alkane/alkene",29.688,374511,0.42,"TC"
"20210421","TC1","Docosene","Al","alkane/alkene",30.85,125725,0.14,"TC"
"20210421","TC1","Docosane","Al","alkane/alkene",30.961,279043,0.32,"TC"
"20210421","TC1","Tricosene","Al","alkane/alkene",32.018,372030,0.42,"TC"
"20210421","TC1","Tricosane","Al","alkane/alkene",32.184,218948,0.25,"TC"
"20210421","TC1","Tetracosene","Al","alkane/alkene",33.268,68313,0.08,"TC"
"20210421","TC1","Tetracosane","Al","alkane/alkene",33.36,191834,0.22,"TC"
"20210421","TC1","p-Xylene","B","B",7.205,444174,0.5,"TC"
"20210421","TC1","Styrene","B","B",7.628,524307,0.59,"TC"
"20210421","TC1","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"TC"
"20210421","TC1","1,2,4-trimethyl benzene","B","B",NA,NA,NA,"TC"
"20210421","TC1","Phenylethyl Alcohol","B","B",NA,NA,NA,"TC"
"20210421","TC1","Benzocycloheptatriene","B","B",16.538,105196,0.12,"TC"
"20210421","TC1","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"TC"
"20210421","TC1","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"TC"
"20210421","TC1","Furaneol","Bf","Bf",NA,NA,NA,"TC"
"20210421","TC1","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"TC"
"20210421","TC1","Guaiacol","Lg","LG",11.935,1366558,1.55,"TC"
"20210421","TC1","Creosol","Lg","LG",14.245,115442,0.13,"TC"
"20210421","TC1","4-ethylguaiacol","Lg","LG",15.917,115074,0.13,"TC"
"20210421","TC1","4-Vinylguaiacol","Lg","LG",16.67,2073204,2.35,"TC"
"20210421","TC1","3-methoxy-5-methylphenol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC1","Eugenol","Lg","LG",17.554,79093,0.09,"TC"
"20210421","TC1","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC1","4-Propylguaiacol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC1","Vanillin","Lg","LG",18.078,186529,0.21,"TC"
"20210421","TC1","cis-Isoeugenol","Lg","LG",18.51,44244,0.05,"TC"
"20210421","TC1","trans-Isoeugenol","Lg","LG",19.266,251946,0.29,"TC"
"20210421","TC1","Acetovanillone","Lg","LG",NA,NA,NA,"TC"
"20210421","TC1","Guaiacylacetone","Lg","LG",20.456,230393,0.26,"TC"
"20210421","TC1","4-Butylguaiacol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC1","cis-Coniferylalcohol","Lg","LG",22.87,63171,0.07,"TC"
"20210421","TC1","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"TC"
"20210421","TC1","trans-Coniferylalcohol","Lg","LG",23.923,686216,0.78,"TC"
"20210421","TC1","o-Cresol","Lg","LH",NA,NA,NA,"TC"
"20210421","TC1","p-m-Cresol","Lg","LH",11.799,6051736,6.85,"TC"
"20210421","TC1","2,4-dimethylphenol","Lg","LH",13.365,635683,0.72,"TC"
"20210421","TC1","4-ethylphenol","Lg","LH",13.733,5307393,6.01,"TC"
"20210421","TC1","4-vinylphenol","Lg","LH",14.748,3039832,3.44,"TC"
"20210421","TC1","Hydroquinone","Lg","LH",NA,NA,NA,"TC"
"20210421","TC1","4-propenylphenol","Lg","LH",NA,NA,NA,"TC"
"20210421","TC1","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"TC"
"20210421","TC1","Syringol","Lg","LS",17.207,925135,1.05,"TC"
"20210421","TC1","4-methyl syringol","Lg","LS",19.063,130394,0.15,"TC"
"20210421","TC1","4-ethylsyringol","Lg","LS",20.506,188977,0.21,"TC"
"20210421","TC1","4-Vinylsyringol","Lg","LS",21.124,1578974,1.79,"TC"
"20210421","TC1","4-Allylsyringol","Lg","LS",21.791,67094,0.08,"TC"
"20210421","TC1","Homosyringaldehyde","Lg","LS",NA,NA,NA,"TC"
"20210421","TC1","Syringaldehyde","Lg","LS",22.503,55960,0.06,"TC"
"20210421","TC1","cis-4-Propenylsyringol","Lg","LS",22.586,53149,0.06,"TC"
"20210421","TC1","trans-4-Propenylsyringol","Lg","LS",23.382,364042,0.41,"TC"
"20210421","TC1","Acetosyringone","Lg","LS",23.725,270689,0.31,"TC"
"20210421","TC1","Syringylacetone","Lg","LS",24.265,288675,0.33,"TC"
"20210421","TC1","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"TC"
"20210421","TC1","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"TC"
"20210421","TC1","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"TC"
"20210421","TC1","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"TC"
"20210421","TC1","trans-Sinapylalcohol","Lg","LS",27.486,417968,0.47,"TC"
"20210421","TC1","3-methyl-1H-Pyrrole","N","N",6.273,503999,0.57,"TC"
"20210421","TC1","Isoamyl cyanide","N","N",NA,NA,NA,"TC"
"20210421","TC1","2-methyl-1H-Pyrrole","N","N",6.523,414291,0.47,"TC"
"20210421","TC1","3-methyl-Pyridine","N","N",6.799,296597,0.34,"TC"
"20210421","TC1","Butanedioic acid","N","N",NA,NA,NA,"TC"
"20210421","TC1","1H-Pyrrole-2,5-dione","N","N",9.373,147416,0.17,"TC"
"20210421","TC1","Indole","N","N",16.101,9267348,10.49,"TC"
"20210421","TC1","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.536,1542326,1.75,"TC"
"20210421","TC1","3-Isobutyl-2,5-piperazinedione","N","N",23.739,940920,1.06,"TC"
"20210421","TC1","Cyclo(L-prolyl-L-valine)","N","N",24.686,436489,0.49,"TC"
"20210421","TC1","Pyrimethanil","N","N",NA,NA,NA,"TC"
"20210421","TC1","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.441,2473827,2.8,"TC"
"20210421","TC1","3-phenylmethyl-2,5-Piperazinedione","N","N",29.503,625782,0.71,"TC"
"20210421","TC1","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.622,951039,1.08,"TC"
"20210421","TC1","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.521,367738,0.42,"TC"
"20210421","TC1","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.102,355356,0.4,"TC"
"20210421","TC1","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.426,1542381,1.75,"TC"
"20210421","TC1","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14.044,110024,0.12,"TC"
"20210421","TC1","methyl-1H-Indole","Other","Other",17.96,6047945,6.84,"TC"
"20210421","TC1","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.429,936411,1.06,"TC"
"20210421","TC1","Maltol","PAH","PAH",12.273,706431,0.8,"TC"
"20210421","TC1","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.179,1274567,1.44,"TC"
"20210421","TC1","2,3-Anhydro-d-mannosan","PAH","PAH",14.51,146610,0.17,"TC"
"20210421","TC1","2-Naphthalenol","PAH","PAH",NA,NA,NA,"TC"
"20210421","TC1","Phenol","Ph","Ph",9.779,2547125,2.88,"TC"
"20210421","TC1","2-ethyl Phenol","Ph","Ph",13.13,484980,0.55,"TC"
"20210421","TC1","2,3-dimethyl- 3-Phenol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC1","Catechol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC1","3-methoxy catechol","Ph","Ph",15.638,116872,0.13,"TC"
"20210421","TC1","4-methyl-1,2-Benzenediol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC1","Orcinol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC1","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC1","2,6-Dimethoxyhydroquinone","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC1","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC1","2-Furanmethanol","Ps","Ps",6.657,326457,0.37,"TC"
"20210421","TC1","2(5H)-Furanone","Ps","Ps",7.321,1716647,1.94,"TC"
"20210421","TC1","Furan","Ps","Ps",7.874,1474254,1.67,"TC"
"20210421","TC1","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.941,555373,0.63,"TC"
"20210421","TC1","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.498,108781,0.12,"TC"
"20210421","TC1","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.161,312023,0.35,"TC"
"20210421","TC1","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"TC"
"20210421","TC1","D-Allose","Ps","Ps",19.301,4752627,5.38,"TC"
"20210421","TC1","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"TC"
"20210421","TC1","Furfural","Te","Te",6.001,1618273,1.83,"TC"
"20210421","TC1","Limonene","Te","Te",11.045,799023,0.9,"TC"
"20210421","TC1","Phytane","Te","Te",19.894,208805,0.24,"TC"
"20210421","TC1","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",NA,NA,NA,"TC"
"20210421","TC2","1,3-dione-4-Cyclopentene","Al","Al",6.981,296358,0.37,"TC"
"20210421","TC2","1,2-Cyclopentanedione","Al","Al",7.976,3772970,4.67,"TC"
"20210421","TC2","3-methyl-2-Cyclopenten-1-one","Al","Al",8.882,214167,0.27,"TC"
"20210421","TC2","3-methyl-1,2-Cyclopentanedione","Al","Al",10.385,1384515,1.72,"TC"
"20210421","TC2","2,3-dimethyl-2-Cyclopenten-1-one","Al","Al",10.685,125828,0.16,"TC"
"20210421","TC2","2-dhydroxy-3,4-dimethyl- 2-Cyclopenten-1-one","Al","Al",NA,NA,NA,"TC"
"20210421","TC2","3-Buten-2-ol","Al","Al",11.378,2760468,3.42,"TC"
"20210421","TC2","Octanoic acid","Al","Al",NA,NA,NA,"TC"
"20210421","TC2","5-methyl-1-Undecene","Al","Al",24.471,392605,0.49,"TC"
"20210421","TC2","Neophytadiene","Al","Al",26.06,2525803,3.13,"TC"
"20210421","TC2","3,7,11,15-Tetramethylhexadec-2-ene","Al","Al",NA,NA,NA,"TC"
"20210421","TC2","Hexadecanoic acid methyl ester","Al","Al",27.086,62777,0.08,"TC"
"20210421","TC2","n-Hexadecanoic acid","Al","Al",NA,NA,NA,"TC"
"20210421","TC2","Decene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Decane","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Nonene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Nonane","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Undecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Undecane","Al","alkane/alkene",13.169,1585321,1.96,"TC"
"20210421","TC2","Dodecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Dodecane","Al","alkane/alkene",15.152,520362,0.64,"TC"
"20210421","TC2","Tridecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Tridecane","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Tetradecene","Al","alkane/alkene",18.666,131007,0.16,"TC"
"20210421","TC2","Tetradecane","Al","alkane/alkene",18.865,348721,0.43,"TC"
"20210421","TC2","Pentadecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Pentadecane","Al","alkane/alkene",20.66,550356,0.68,"TC"
"20210421","TC2","Hexadecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Hexadecane","Al","alkane/alkene",22.364,255029,0.32,"TC"
"20210421","TC2","Heptadecene","Al","alkane/alkene",NA,NA,NA,"TC"
"20210421","TC2","Heptadecane","Al","alkane/alkene",23.975,218937,0.27,"TC"
"20210421","TC2","Octadecene","Al","alkane/alkene",25.366,125447,0.16,"TC"
"20210421","TC2","Octadecane","Al","alkane/alkene",25.506,248032,0.31,"TC"
"20210421","TC2","Nonadecene","Al","alkane/alkene",26.826,73005,0.09,"TC"
"20210421","TC2","Nonadecane","Al","alkane/alkene",26.965,271621,0.34,"TC"
"20210421","TC2","Eicosene","Al","alkane/alkene",28.231,105182,0.13,"TC"
"20210421","TC2","Eicosane","Al","alkane/alkene",28.356,266242,0.33,"TC"
"20210421","TC2","Heneicosene","Al","alkane/alkene",29.572,52187,0.06,"TC"
"20210421","TC2","Heneicosane","Al","alkane/alkene",29.692,373756,0.46,"TC"
"20210421","TC2","Docosene","Al","alkane/alkene",30.855,127018,0.16,"TC"
"20210421","TC2","Docosane","Al","alkane/alkene",30.963,366390,0.45,"TC"
"20210421","TC2","Tricosene","Al","alkane/alkene",32.021,316653,0.39,"TC"
"20210421","TC2","Tricosane","Al","alkane/alkene",32.187,280325,0.35,"TC"
"20210421","TC2","Tetracosene","Al","alkane/alkene",33.27,57271,0.07,"TC"
"20210421","TC2","Tetracosane","Al","alkane/alkene",33.362,191792,0.24,"TC"
"20210421","TC2","p-Xylene","B","B",7.208,409122,0.51,"TC"
"20210421","TC2","Styrene","B","B",7.631,418662,0.52,"TC"
"20210421","TC2","1-ethyl-3-methyl- Benzene","B","B",NA,NA,NA,"TC"
"20210421","TC2","1,2,4-trimethyl benzene","B","B",NA,NA,NA,"TC"
"20210421","TC2","Phenylethyl Alcohol","B","B",NA,NA,NA,"TC"
"20210421","TC2","Benzocycloheptatriene","B","B",16.539,85703,0.11,"TC"
"20210421","TC2","3,4,5-Trimethoxytoluene","B","B",NA,NA,NA,"TC"
"20210421","TC2","2-Allyl-1,4-dimethoxy-3-methyl-benzene","B","B",NA,NA,NA,"TC"
"20210421","TC2","Furaneol","Bf","Bf",NA,NA,NA,"TC"
"20210421","TC2","6-Methoxy-3-methylbenzofuran","Bf","Bf",NA,NA,NA,"TC"
"20210421","TC2","Guaiacol","Lg","LG",11.94,1073065,1.33,"TC"
"20210421","TC2","Creosol","Lg","LG",14.248,93339,0.12,"TC"
"20210421","TC2","4-ethylguaiacol","Lg","LG",15.922,115661,0.14,"TC"
"20210421","TC2","4-Vinylguaiacol","Lg","LG",16.676,1920416,2.38,"TC"
"20210421","TC2","3-methoxy-5-methylphenol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC2","Eugenol","Lg","LG",17.561,66610,0.08,"TC"
"20210421","TC2","3,4-dimethoxy-Phenol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC2","4-Propylguaiacol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC2","Vanillin","Lg","LG",18.083,147843,0.18,"TC"
"20210421","TC2","cis-Isoeugenol","Lg","LG",18.506,40414,0.05,"TC"
"20210421","TC2","trans-Isoeugenol","Lg","LG",19.271,255274,0.32,"TC"
"20210421","TC2","Acetovanillone","Lg","LG",NA,NA,NA,"TC"
"20210421","TC2","Guaiacylacetone","Lg","LG",20.463,230429,0.29,"TC"
"20210421","TC2","4-Butylguaiacol","Lg","LG",NA,NA,NA,"TC"
"20210421","TC2","cis-Coniferylalcohol","Lg","LG",22.867,61688,0.08,"TC"
"20210421","TC2","trans-Coniferylaldehyde","Lg","LG",NA,NA,NA,"TC"
"20210421","TC2","trans-Coniferylalcohol","Lg","LG",23.902,733105,0.91,"TC"
"20210421","TC2","o-Cresol","Lg","LH",NA,NA,NA,"TC"
"20210421","TC2","p-m-Cresol","Lg","LH",11.804,5211952,6.46,"TC"
"20210421","TC2","2,4-dimethylphenol","Lg","LH",13.369,472742,0.59,"TC"
"20210421","TC2","4-ethylphenol","Lg","LH",13.736,4449287,5.51,"TC"
"20210421","TC2","4-vinylphenol","Lg","LH",14.753,2723307,3.37,"TC"
"20210421","TC2","Hydroquinone","Lg","LH",NA,NA,NA,"TC"
"20210421","TC2","4-propenylphenol","Lg","LH",NA,NA,NA,"TC"
"20210421","TC2","4-hydroxybenzaldehyde","Lg","LH",NA,NA,NA,"TC"
"20210421","TC2","Syringol","Lg","LS",17.212,925433,1.15,"TC"
"20210421","TC2","4-methyl syringol","Lg","LS",19.066,126653,0.16,"TC"
"20210421","TC2","4-ethylsyringol","Lg","LS",20.509,180049,0.22,"TC"
"20210421","TC2","4-Vinylsyringol","Lg","LS",21.127,1554398,1.93,"TC"
"20210421","TC2","4-Allylsyringol","Lg","LS",21.795,62840,0.08,"TC"
"20210421","TC2","Homosyringaldehyde","Lg","LS",NA,NA,NA,"TC"
"20210421","TC2","Syringaldehyde","Lg","LS",22.513,66315,0.08,"TC"
"20210421","TC2","cis-4-Propenylsyringol","Lg","LS",22.592,54078,0.07,"TC"
"20210421","TC2","trans-4-Propenylsyringol","Lg","LS",23.385,343554,0.43,"TC"
"20210421","TC2","Acetosyringone","Lg","LS",23.727,210840,0.26,"TC"
"20210421","TC2","Syringylacetone","Lg","LS",24.265,278787,0.35,"TC"
"20210421","TC2","Syringyl vinyl ketone","Lg","LS",NA,NA,NA,"TC"
"20210421","TC2","cis-Sinapylalcohol","Lg","LS",NA,NA,NA,"TC"
"20210421","TC2","trans-Coniferylacetate","Lg","LS",NA,NA,NA,"TC"
"20210421","TC2","trans-Sinapaldehyde","Lg","LS",NA,NA,NA,"TC"
"20210421","TC2","trans-Sinapylalcohol","Lg","LS",27.485,492567,0.61,"TC"
"20210421","TC2","3-methyl-1H-Pyrrole","N","N",6.275,427670,0.53,"TC"
"20210421","TC2","Isoamyl cyanide","N","N",NA,NA,NA,"TC"
"20210421","TC2","2-methyl-1H-Pyrrole","N","N",6.523,374138,0.46,"TC"
"20210421","TC2","3-methyl-Pyridine","N","N",6.792,272223,0.34,"TC"
"20210421","TC2","Butanedioic acid","N","N",NA,NA,NA,"TC"
"20210421","TC2","1H-Pyrrole-2,5-dione","N","N",9.371,141832,0.18,"TC"
"20210421","TC2","Indole","N","N",16.107,7845670,9.72,"TC"
"20210421","TC2","Hexahydro-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",23.512,1233523,1.53,"TC"
"20210421","TC2","3-Isobutyl-2,5-piperazinedione","N","N",23.737,735324,0.91,"TC"
"20210421","TC2","Cyclo(L-prolyl-L-valine)","N","N",24.688,376781,0.47,"TC"
"20210421","TC2","Pyrimethanil","N","N",NA,NA,NA,"TC"
"20210421","TC2","5,10-Diethoxy--tetrahydro-dipyrrolo pyrazine (short)","N","N",26.441,2047682,2.54,"TC"
"20210421","TC2","3-phenylmethyl-2,5-Piperazinedione","N","N",29.496,979804,1.21,"TC"
"20210421","TC2","hexahydro-3-(phenylmethyl)-Pyrrolo[1,2-a]pyrazine-1,4-dione","N","N",31.619,1372282,1.7,"TC"
"20210421","TC2","3-ethyl-2-hydroxy-2-Cyclopenten-1-one","Other","Other",12.526,290469,0.36,"TC"
"20210421","TC2","2,3-dihydro-3,5-dihydroxy-6-methyl-4H-Pyran-4-one","Other","Other",13.105,337595,0.42,"TC"
"20210421","TC2","(S)-(+)-2',3'-Dideoxyribonolactone","Other","Other",13.426,1455619,1.8,"TC"
"20210421","TC2","3,5-dihydroxy-2-methyl-4H-Pyran-4-one","Other","Other",14.061,73672,0.09,"TC"
"20210421","TC2","methyl-1H-Indole","Other","Other",17.963,5020319,6.22,"TC"
"20210421","TC2","1,2,3,5-Cyclohexanetetrol, (1a,2ß,3a,5ß)-","Other","Other",21.423,714258,0.88,"TC"
"20210421","TC2","Maltol","PAH","PAH",12.276,678195,0.84,"TC"
"20210421","TC2","1,4:3,6-Dianhydro-a-d-glucopyranose","PAH","PAH",14.182,1235969,1.53,"TC"
"20210421","TC2","2,3-Anhydro-d-mannosan","PAH","PAH",14.512,113508,0.14,"TC"
"20210421","TC2","2-Naphthalenol","PAH","PAH",NA,NA,NA,"TC"
"20210421","TC2","Phenol","Ph","Ph",9.791,1733269,2.15,"TC"
"20210421","TC2","2-ethyl Phenol","Ph","Ph",13.131,377741,0.47,"TC"
"20210421","TC2","2,3-dimethyl- 3-Phenol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC2","Catechol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC2","3-methoxy catechol","Ph","Ph",15.641,89871,0.11,"TC"
"20210421","TC2","4-methyl-1,2-Benzenediol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC2","Orcinol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC2","1,2,3-Benzenetriol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC2","2,6-Dimethoxyhydroquinone","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC2","5-(3-Hydroxypropyl)-2,3-dimethoxyphenol","Ph","Ph",NA,NA,NA,"TC"
"20210421","TC2","2-Furanmethanol","Ps","Ps",6.663,327822,0.41,"TC"
"20210421","TC2","2(5H)-Furanone","Ps","Ps",7.324,1772110,2.2,"TC"
"20210421","TC2","Furan","Ps","Ps",7.877,1423541,1.76,"TC"
"20210421","TC2","5-methyl-2-Furancarboxaldehyde","Ps","Ps",8.946,535809,0.66,"TC"
"20210421","TC2","2,4-Dihydroxy-2,5-dimethyl-3(2H)-furan-3-one","Ps","Ps",9.499,108881,0.13,"TC"
"20210421","TC2","2,5-Dimethylfuran-3,4(2H,5H)-dione","Ps","Ps",11.161,247600,0.31,"TC"
"20210421","TC2","5-Hydroxymethylfurfural","Ps","Ps",NA,NA,NA,"TC"
"20210421","TC2","D-Allose","Ps","Ps",19.288,4863960,6.03,"TC"
"20210421","TC2","1,6-Anhydro-a-d-galactofuranose","Ps","Ps",NA,NA,NA,"TC"
"20210421","TC2","Furfural","Te","Te",6.009,1818034,2.25,"TC"
"20210421","TC2","Limonene","Te","Te",11.05,718918,0.89,"TC"
"20210421","TC2","Phytane","Te","Te",19.897,175000,0.22,"TC"
"20210421","TC2","Oxacycloheptadec-8-en-2-one, (8Z)-","Te","Te",NA,NA,NA,"TC"