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. 2018 Jan 12;13(1):e0191203. doi: 10.1371/journal.pone.0191203

Table 6. LC-MS analysis data of 90%MeOH III—HPLC fraction.

HPLC Fraction NO. Rt (min) m/z Ion Form Estimated Molecule Formula Annotation
11 n.d.
32 1.62 314.139 [M+H]+ C18H19NO4 ?
32 1.62 177.054 [M+H]+ C10H8O3 7-Hydroxy-4-methylcoumarin
32 1.70 163.036 [M+H]+ C9H6O3 4-Hydroxycoumarin
32 1.86 289.072 [M+H]+ C15H12O6 Eriodictyol
37 2.13 177.049 [M+H]+ C5H8N2O5 ?
37 2.44 273.073 [M+H]+ C15H12O5 Naringenin
37 2.57 177.049 [M+H]+ C10H8O3 4-Metoxycoumarin
44 3.58 181.0636 [M+H]+ C13H8O 9-Fluorenone
49 4.15 195.139 [M+H]+ C12H18O2 Fatty acid derivative
49 4.39 339.181 [M-H]- C18H28O6 Fatty acid derivative
49 5.67 230.249 [M+H]+ C14H31NO Xestoaminol C
52 4.75 355.248 [M-H]- C20H36O5 Fatty acid derivative
52 4.86 355.248 [M-H]- C20H36O5 Fatty acid derivative
54 5.11 357.262 [M-H]- C20H38O5 Fatty acid derivative
54 5.18 n.i.
54 5.45 329.233 [M-H]- C18H34O5 Oxylipin
54 5.45 445.150 [M-H]- C23H26O9 Flavonoid
61 6.66 311.222 [M-H]- C18H32O4 Oxylipin
61 6.82 357.262 [M-H]- C20H38O5 Fatty acid derivative
61 6.89 309.207 [M-H]- C18H30O4 Oxylipin
65 7.74 333.205 [M+H]+ C20H28O4 Fatty acid derivative
65 7.74 309.202 [M-H]- C18H30O4 13-HpOTrE
65 7.82 291.196 [M-H]- C18H28O3 9-oxo-OTA
70 9.02 293.208 [M-H]- C18H30O3 9-oxo-(EZ)-ODA
70 9.32 293.208 [M-H]- C18H30O3 9-oxo-(EE)-ODA
76 10.48 261.224 [M+H]+ C18H28O Fatty acid derivative
76 10.48 225.223 [M+H]+ C15H28O Fatty acid derivative
76 10.82 261.224 [M+H]+ C18H28O Fatty acid derivative
82 12.32 263.238 [M+H]+ C18H30O Isoprenoid
88 13.83 429.286 [M-H]- C23H42O7 ?
88 14.12 437.291 [M-H]- C25H42O6 Isoprenoid
93 15.00 253.232 [M-H]- C16H32O2 Palmitic acid

n.d.; not ditected

n.i.; not identified parent ion

?; not annotated from database