## 3 Results
\begin{table}
\begin{tabular}{c c c c c c c c c} \hline
**RT** & **Observed m/z** & **Theoretical m/z** & **Error [ppm]** & **Formula** & **MS/MS Fragmentation** & **Metabolite Name** & **Ontology** \\ \hline
2.78 & 164.0704 & 164.0717 & \(-\)7.92 & C\({}_{\rm H}\)\({}_{11}\)NO\({}_{2}\) & 72.0075, 100.0535, 167.0493, 164.0705 & Phenylalanine & Phenylalanine and derivatives \\
3.22 & 218.1029 & 218.1034 & \(-\)229 & C\({}_{\rm H}\)\({}_{27}\)NO\({}_{3}\) & 59.0125, 88.0400, 116.0703, 146.0810, & Pantothanate & Secondary alcohols \\
3.89 & 203.0818 & 203.0826 & \(-\)393 & C\({}_{\rm H}\)\({}_{23}\)NO\({}_{2}\) & 72.0074, 116.0490, 120.4684, 159.9914, & Typtophan & Indolyt carboxylic acids and \\
4.50 & 175.06 & 175.0612 & \(-\)6.85 & C\({}_{\rm H}\)\({}_{2}\)NO\({}_{3}\) & 85.0643, 115.0386, 131.0700, 157.0494, & 2-isopropylproximal acid & Hydroxy acids \\  & & & & & & & \\  & & & & & & & \\  & & & & & & & \\  & & & & & & & \\
5.38 & 179.0339 & 179.035 & 0.20 & C\({}_{\rm H}\)\({}_{0}\)O\({}_{4}\) & 135.047, 179.0337, & Caffeic acid & Hydroxycinamic acids \\  & & & & & & & & \\  & & & & & & & \\  & & & & & & & \\  & & & & & & & \\
5.84 & 415.1614 & 415.161 & 0.96 & C\({}_{\rm H}\)\({}_{2}\)O\({}_{10}\) & 113.0292, 131.035, 147.0284, & 3,4-dihydroxy-4 & \\  & & & & & & & \\  & & & & & & & \\  & & & & & & & \\
6.19 & 785.2514 & 785.251 & 0.51 & C\({}_{\rm H}\)\({}_{4}\)O\({}_{2}\) & 161.223, 461.1668, 623.1983 & Ethinoside & Phenylpropanoids \\
6.31 & 755.2402 & 785.2404 & \(-\)0.26 & C\({}_{\rm H}\)\({}_{4}\)H\({}_{4}\)O\({}_{3}\) & 161.0232, 47.157, 593.2087, & Lavandultilisoside & Phenylpropanoids \\  & & & & & & & \\
6.67 & 623.1978 & 623.1981 & \(-\)0.48 & C\({}_{\rm H}\)\({}_{4}\)O\({}_{3}\) & 161.0232, 315.098, 461.1667, & & Acteoside & Phenylpropanoids \\
6.71 & 217.1074 & 217.1082 & \(-\)3.68 & C\({}_{\rm H}\)\({}_{4}\)H\({}_{3}\)O\({}_{5}\) & 151.066, 171.106, 199.0986, & Hydrosybeac acid & Medium-chain hydroxy acids \\  & & & & & & & \\
6.92 & 163.0389 & 163.0401 & \(-\)7.36 & C\({}_{\rm H}\)\({}_{3}\)O\({}_{5}\) & 119.0487, 163.03388, & _trans_-4-Cumaric acid & Hydroxycinamic acids \\
7.08 & 623.1979 & 623.1981 & \(-\)0.32 & C\({}_{\rm H}\)\({}_{3}\)O\({}_{5}\) & 623.1996 & Isostecoside & Phenylpropanoids \\
7.19 & 637.2136 & 637.2127 & \(-\)1.41 & C\({}_{\rm H}\)\({}_{3}\)H\({}_{3}\)O\({}_{5}\) & 175.0390, 464.168, 637.2114 & Leucospecide & A & Prehyperonoids \\
7.39 & 187.0966 & 187.0976 & \(-\)5.34 & C\({}_{\rm H}\)\({}_{4}\)O\({}_{4}\) & 57.0839, 94.0461, 125.0956, 143.1062, & Azelic acid & Medium-chain fatty acids \\  & & & & & & & \\
9.82 & 329.2335 & 329.2333 & 0.61 & C\({}_{\rm H}\)\({}_{3}\)O\({}_{5}\) & 329.2333 & & (2)5.811-trihydroxyoctadec-9 & Long-chain fatty acids \\  & & & & & & & & \\
10.61 & 309.2074 & 309.2071 & 0.97 & C\({}_{\rm H}\)\({}_{3}\)H\({}_{3}\)O\({}_{5}\) & 177.0998, 171.1015, 251.1649, & FA 183+2O & Lincelic acids and derivatives \\
13.24 & 295.2278 & 295.2279 & \(-\)0.34 & C\({}_{\rm H}\)\({}_{3}\)H\({}_{3}\)O\({}_{3}\) & 171.1015, 257.6883, 295.2279 & 9-HODE & Lincelic acids and derivatives \\
14.77 & 297.2434 & 297.2435 & \(-\)0.34 & C\({}_{\rm H}\)\({}_{3}\)H\({}_{3}\)O\({}_{5}\) & 297.2434 & FA 181+1O & Lincelic acids and derivatives \\
14.91 & 297.2327 & 279.2329 & \(-\)0.72 & C\({}_{\rm H}\)\({}_{3}\)H\({}_{3}\)O\({}_{5}\) & 297.2434 & FA 181+1O & Lincelic acids and derivatives \\  & & & & & & & \\ \hline \end{tabular}
\end{table} 
Table 3: Main identified metabolites in callus of _Kickia elature_ (L.) Dumor using LC-MS/MS in negative ion mode.