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 methanol extracts of Sinularia sp. analyzed via positive ionization mode of liquid chromatography-orbitrap-tandem mass spectrometry (LC-orbitrap-MS/MS).

NoClassRetention time (min)Compound nameMolecular formulaMolecular weight (Da)Mass error (ppm)
1Alkaloid0.57TrigonellineC7H7NO2137.040.27
21.69SalsolinolC10H13NO2179.090.56
33.946-MethoxyharmineC12H12N2O2216.090.7
43.97AnatabineC10H12N2160.101.4
54.33Harman-3-carboxylic acidC12H12N2O2216.090.97
64.58TryptolineC11H12N2172.101.44
721.47ConiineC8H17N127.131.03
8Amino acid derivative1.06L-pyroglutamic acidC5H7NO3129.041.51
95.84N-acetyltryptophanC13H14N2O3246.100.11
10Aromatic aldehyde6.074-IndolecarbaldehydeC9H7NO145.050.78
11Benzyl derivative10.07(2R)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutanoic acidC17H26O5310.170.1
12Carnitine derivative1.88PropionylcarnitineC10H19NO4217.130.78
13Complex lipid derivative10.382-{5-[2-({2-[5-(2-Hydroxybutyl)oxolan-2-yl]propanoyl}oxy)propyl]oxolan-2-yl}propanoic acidC21H36O7400.24–0.11
14Eicosanoid11.5315-Hydroxyeicosatetraenoic acidC20H32O3320.23–0.64
15Endocannabinoid14.082-Arachidonoyl glycerolC23H38O4378.270.12
16Fatty acid0.63Docosahexaenoic acidC22H32O2328.23–0.96
17Fatty acid amide8.30N-arachidonoyl-L-serineC23H37NO4391.27–1.31
188.925(6)-EET ethanolamideC22H37NO3363.270.4
1910.38OleamideC18H35NO281.27–0.42
2014.80HexadecanamideC16H33NO255.25–0.31
2115.65Stearoyl ethanolamideC20H41NO2327.31–1.09
2216.08StearamideC18H37NO283.280.19
2317.24ErucamideC22H43NO337.33–0.39
24Fatty acid derivative10.781,2-Dihydroxyheptadec-16-Yn-4-yl acetateC19H34O4326.24–0.51
25Fatty acid ester16.12Docosahexaenoic acid methyl esterC23H34O2342.250.97
2615.776Eicosapentaenoic acid methyl esterC21H32O2316.24–0.03
275.40HexanoylcarnitineC13H25NO4259.170.36
2811.57PalmitoylcarnitineC23H45NO4399.33–0.47
2921.984Ethyl palmitoleateC18H34O3304.24–0.34
3016.39Arachidonic acid methyl esterC21H34O2318.25–0.11
31Hormone3.98MelatoninC13H16N2O2232.120.11
32Phenethylamine derivative2.533-MethoxytyramineC9H13NO2167.090.77
33Phenolic compound11.016-GingerolC17H26O4294.18–0.63
34Pteridine derivative1.61BiopterinC9H11N5O3237.080.32
35Purine base2.31HypoxanthineC5H4N4O136.031.04
36Purine nucleoside2.33InosineC10H12N4O5268.080.65
37Pyrimidine base1.81ThymineC5H6N2O2126.041.43
38Pyrimidine derivative0.55DihydrothymineC5H8N2O2128.050.97
39Sphingolipid derivative10.072-Amino-1,3,4-octadecanetriolC18H39NO3317.29–0.41
4010.38Sphingosine (d18:1)C18H37NO2299.28–0.62
4111.37N,N-dimethylsphingosineC20H41NO2327.31–0.16
42Steroid11.68DolichosteroneC28H46O6462.33–0.67
4314.206β-HydroxytestosteroneC19H28O3304.20–0.56
44Terpenoid6.04Tetrahydroxyoctahydro-2H-oxecinoneC10H16O5216.09–0.09
45Vitamin derivative0.92Nicotinic acidC6H5NO2123.031.07
461.01NicotinamideC6H6N2O122.041.76
4715.44ErgocalciferolC28H44O396.330.01
4812.839-cis-RetinalC20H28O284.21–0.63