# Metabolite Profiling of _Christia__vevertilionis_ Leaf Metabolome via Molecular Network Approach
## 3 Results and Discussion
\begin{table}
\begin{tabular}{c c c c c c c c c} \hline
**Peak No.** & **RT** & **Compound Identification** & \begin{tabular}{c} **Molecular** \\ **Formula** \\ \end{tabular} & \
\begin{tabular}{c} **Precursor** \\ **Ion (fm/2)** \\ \end{tabular} & **Ion Type** & **Key Fragments (\(\sigma\)/2)** & **Area** &
\begin{tabular}{c} **Relative** \\ **Abundance (\%)** \\ \end{tabular} \\ \hline
**Hydrooxygen/samonic acid derivatives (Clusters G and R)** & & & & & & & & \\
24 & 4.71 & 3-oxo-2-5(-cheopyrananoyl-)pent-2-enyl]-cyclopentanacetic & C\({}_{83}\)H\({}_{32}\)O\({}_{40}\) & 406.207 & [M + NH\({}_{4}\)]\({}^{+}\) & 227, 209, 163 & & \\  
165 & & \\ \end{tabular}
\end{table} 
Table 1: _Cott._ \begin{table}
\begin{tabular}{l l l l l l l l l} \hline
**Peak** & **RT** & **Compound Identification** & **Molecular** & **Precursor** & **Ion (m/z)** & **Ion Type** & **Key Fragments (w/z)** & **Area** & **Relative** \\
**No.** & **(min)** & & & & & & & & & **Abundance (\%)** \\ \hline
**Carbonoids** & **(Cluster L)** & & & & & & & & \\
54 & 26.59 & Volaxanthin \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm H}\)\({}_{\rm o}\)O\({}_{\rm 4}\) & 601.425 & [M + H]\({}^{\rm a}\) & 583, 521, 221, 145, 119 & 2.6 \(\times\) 10\({}^{\rm b}\) & 0.04 \\
57 & 28.00 & \(\beta\)-apo-12\({}^{\rm a}\)-luteinal \({}^{\rm c}\) & C\({}_{\rm o}\)H\({}_{\rm o}\)\({}_{\rm o}\)O\({}_{\rm 2}\) & 367.263 & [M + H]\({}^{\rm a}\) & 349, 161, 145, 119 & 1.2 \(\times\) 10\({}^{\rm b}\) & 0.02 \\
58 & 28.00 & Annherzanthin \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm o}\)\({}_{\rm o}\)O\({}_{\rm 3}\) & 585.430 & [M + H]\({}^{\rm a}\) & 567, 549, 221, 145, 119 & 3.8 \(\times\) 10\({}^{\rm b}\) & 0.58 \\
59 & 28.02 & Lutein \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm o}\)\({}_{\rm o}\)O\({}_{\rm 2}\) & 568.428 & [M]\({}^{\rm a}\) & 430, 145, 135, 119 & 1.8 \(\times\) 10\({}^{\rm b}\) & 2.76 \\
**Miscellaneous compounds** & **(\"self-loop\" modes)** & & & & & & \\
**Organic acids** & & & & & & & \\
1 & 0.90 & D-Gluconic acid \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm o}\)\({}_{\rm 2}\)\({}_{\rm 7}\) & 195.050 & [M + H]\({}^{\rm a}\) & 177, 147, 129, 111 & 3.2 \(\times\) 10\({}^{\rm b}\) & 4.91 \\
**4** & 1.18 & Citric acid \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm o}\)\({}_{\rm o}\)\({}_{\rm 7}\) & 191.019 & [M + H]\({}^{\rm a}\) & 173, 129, 111 & 8.3 \(\times\) 10\({}^{\rm b}\) & 0.13 \\
**Nucleoside** & & & & & & & & \\
3 & 1.18 & Adenosine \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm o}\)\({}_{\rm 2}\)\({}_{\rm 8}\)\({}_{\rm 0}\)\({}_{\rm 4}\) & 268.104 & [M + H]\({}^{\rm a}\) & 136, 119 & 4.0 \(\times\) 10\({}^{\rm b}\) & 0.61 \\
**Amino acids** & & & & & & & & \\
5 & 1.21 & Tyrosine \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm 1}\)\({}_{\rm 1}\)\({}_{\rm 3}\)\({}_{\rm 0}\) & 182.081 & [M + H]\({}^{\rm a}\) & 165, 136, 119 & 6.8 \(\times\) 10\({}^{\rm b}\) & 0.10 \\
8 & 2.19 & Preylamine \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm 1}\)\({}_{\rm 1}\)\({}_{\rm 2}\)\({}_{\rm 6}\)\({}_{\rm 1}\)\({}_{\rm 0}\) & 166.086 & [M + H]\({}^{\rm a}\) & 120, 103 & 2.1 \(\times\) 10\({}^{\rm b}\) & 0.32 \\
12 & 3.21 & Tyyptophan \({}^{\rm b}\) & C\({}_{\rm o}\)H\({}_{\rm 1}\)\({}_{\rm 1}\)\({}_{\rm 2}\)\({}_{\rm 0}\) & 265.097 & [M + H]\({}^{\rm a}\) & 188, 159 & 1.8 \(\times\) 10\({}^{\rm b}\) & 0.28 \\ \hline \end{tabular}  
* Peak numbers correspond to the numbering of peaks that appear in total ion chromatograms (IC) (Figure 1a). \({}^{\rm a}\) Structural bit obtained from CSNPs spectral library matching \({}^{\rm b}\) MS/ MS spectra matched with published literature. \({}^{\rm a}\) Annotated based on diagnostic fragment ices. \({}^{\rm a}\) Relative candidate. \({}^{\rm c}\) Compounds previously reported in C. _copophilions_ according to [PERSON] [4]. \({}^{\rm a}\) Proposed new structures. Compounds in bold letters (Puls 28 and 47) were further isolated and elucidated by 1D and 2D NMR experiments.  
\end{table} 
Table 1: _Cont._