From:  Antioxidant activity and metabolite profiling of the soft coral Sinularia sp. from Sabah, Malaysia, using FTIR, GC-MS, and LC-orbitrap-MS/MS

 List of bioactive compounds profile in the methanol extract of Sinularia sp. analyzed via negative ionization mode of liquid chromatography-orbitrap-tandem mass spectrometry (LC-orbitrap-MS/MS).

NoClassRetention time (min)Compound nameMolecular formulaMolecular weight (Da)Mass error (ppm)
1Amino acid derivative5.84DL-N-acetyltryptophanC13H14N2O3246.10–1.22
2Eicosanoid12.638S-Hydroxy-eicosatetraenoic acidC20H32O3320.23–0.55
312.9115-Keto-eicosatetraenoic acidC20H34O3322.25–0.72
4Fatty acid11.56(5Z,8S,9R,11Z,14Z)-8,9-Dihydroxy-5,11,14-icosatrienoic acidC20H34O4338.24–0.45
512.21γ-Linolenic acidC18H30O2278.22–1.49
612.3411,12-Epoxy-(5Z,8Z,11Z)-icosatrienoic acidC20H32O3320.23–0.84
712.67Docosahexaenoic acidC22H32O2328.23–0.97
814.18Eicosapentaenoic acidC20H30O2302.22–0.97
914.87Arachidonic acidC20H32O2304.23–0.95
10Peptide3.24LeucylprolineC11H20N2O3228.14–1.04
11Terpene14.41Juniperic acidC16H32O3272.23–0.54