## 3 Results and Discussion
### In Vivo Aroma Release
\begin{table}
\begin{tabular}{c c c c c c c} \hline
**Measured** & **Sum Formula** & **Tentative** & **Coffee A** & **Coffee B** & **Coffee E** & _p-Value_ \\
**Mass _m/z_ (Th)** & & **Identification** & **(ppbV)** & **(ppbV)** & **(ppbV)** & \\ \hline
33.033 & CH\({}_{5}\)O\({}^{+}\) & Methanol & 6157 \(\pm\) 1651 \({}^{\rm a}\) & 10,263 \(\pm\) 3610 \({}^{\rm b}\) & 11,102 \(\pm\) 2342 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
46.038 & C[13]CH\({}_{5}\)O\({}^{+}\) & \({}^{13}\)C isotope & 262 \(\pm\) 79 \({}^{\rm a}\) & 385 \(\pm\) 107 \({}^{\rm b}\) & 478 \(\pm\) 110 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
47.050 & C\({}_{2}\)H\({}_{7}\)O\({}^{+}\) & Ethanol & 32 \(\pm\) 8 \({}^{\rm a}\) & 51 \(\pm\) 14 \({}^{\rm b}\) & 52 \(\pm\) 9 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
71.087 & C\({}_{5}\)H\({}_{11}\)\({}^{+}\) & Terpene fragment & 15 \(\pm\) 5 \({}^{\rm a}\) & 31 \(\pm\) 9 \({}^{\rm b}\) & 37 \(\pm\) 9 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
84.088 & C\({}_{5}\)[13]CH\({}_{11}\)\({}^{+}\) & \({}^{13}\)C isotope fragment & 1.8 \(\pm\) 1.1 \({}^{\rm a}\) & 4.6 \(\pm\)1.2 \({}^{\rm b}\) & 5.8 \(\pm\) 0.8 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\  & & Methyl- & & & & \\
85.103 & C\({}_{6}\)H\({}_{13}\)\({}^{+}\) & butene/aldehyde & 4.5 \(\pm\) 2.4 \({}^{\rm a}\) & 4.8 \(\pm\) 3.7 \({}^{\rm a}\) & 13.9 \(\pm\) 6.1 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\  & & fragment & & & & \\
95.007 & C\({}_{2}\)H\({}_{7}\)S\({}_{2}\)\({}^{+}\) & Dimethyl-disulfide & 132 \(\pm\) 42 \({}^{\rm a}\) & 215 \(\pm\) 48 \({}^{\rm b}\) & 235 \(\pm\) 43 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
97.028 & C\({}_{5}\)H\({}_{5}\)O\({}_{2}\)\({}^{+}\) & Furfural & 2925 \(\pm\) 998 \({}^{\rm a}\) & 2461 \(\pm\) 850 \({}^{\rm a}\) & 5280 \(\pm\) 1111 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
101.060 & C\({}_{5}\)H\({}_{9}\)O\({}_{2}\)O\({}^{+}\) & Pentanedione/methyl- & 988 \(\pm\) 324 \({}^{\rm a}\) & 1504 \(\pm\) 524 \({}^{\rm b}\) & 1619 \(\pm\) 407 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\  & & tetrahydrofuran & 1641 \(\pm\) 554 \({}^{\rm a}\) & 2556 \(\pm\) 827 \({}^{\rm b}\) & 2579 \(\pm\) 491 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
111.044 & C\({}_{6}\)H\({}_{7}\)O\({}_{2}\)\({}^{+}\) & Aceptyl-furan/methyl- & 1641 \(\pm\) 554 \({}^{\rm a}\) & 2556 \(\pm\) 827 \({}^{\rm b}\) & 2579 \(\pm\) 491 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
127.150 & N.a. & N.a. & 0.6 \(\pm\) 0.3 \({}^{\rm a}\) & 0.8 \(\pm\) 0.4 \({}^{\rm a}\) & 2.3 \(\pm\) 0.8 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
135.117 & C\({}_{10}\)H\({}_{15}\)\({}^{+}\) & Terpene fragment & 1.7 \(\pm\) 0.6 \({}^{\rm a}\) & 2.8 \(\pm\) 0.8 \({}^{\rm b}\) & 5.4 \(\pm\) 1.2 \({}^{\rm c}\) & \(<\)10\({}^{-3}\) \\
137.134 & C\({}_{10}\)H\({}_{17}\)\({}^{+}\) & Various monoterpenes & 4.9 \(\pm\) 1.6 \({}^{\rm a}\) & 7.6 \(\pm\) 2.5 \({}^{\rm a}\) & 22.3 \(\pm\) 6.3 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\
153.131 & C\({}_{10}\)H\({}_{17}\)O\({}^{+}\) & Decadien & 3.1 \(\pm\) 1.0 \({}^{\rm a}\) & 7.2 \(\pm\) 1.6 \({}^{\rm b}\) & 11.4 \(\pm\) 2.1 \({}^{\rm c}\) & \(<\)10\({}^{-3}\) \\
157.124 & C\({}_{9}\)H\({}_{17}\)O\({}_{2}\)\({}^{+}\) & Hydroxy-nonenal & 0.7 \(\pm\) 0.2 \({}^{\rm a}\) & 1.8\(\pm\) 0.5 \({}^{\rm b}\) & 1.9 \(\pm\) 0.3 \({}^{\rm b}\) & \(<\)10\({}^{-3}\) \\ \hline \end{tabular}  
N.a.: Not annotated.  
\end{table} 
Table 2: Selected headspace mass peaks significant for discrimination (VIP \(>\) 1.5). Means and standard deviations are reported for each sample. _p_-values were obtained on the basis of one-way ANOVA and corrected, taking into account the false discovery rate. Superscript annotations are used to display differences between coffees; therefore, when two values are annotated by different letters, this denotes the pairwise statistically significant difference (Tukey’s HSD).