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

Table 3. LC-MS analysis data of Hexane III—HPLC fraction.

HPLC Fraction NO. Rt (min) m/z Ion Form Estimated Molecule Formula Annotation
5 n.d.
13 n.d.
20 n.d.
32 n.d.
44 n.d.
58 n.d.
65 7.72 291.190 [M-H]- C18H28O3 13-oxo-OTA
65 7.82 291.190 [M-H]- C18H28O3 9-oxo-OTA
65 10.45 n.i.
70 8.99 293.211 [M-H]- C18H30O3 9-oxo-(EZ)-ODA
78 11.15 297.243 [M-H]- C18H34O3 Fatty acid derivative
82 12.13 277.213 [M-H]- C18H30O2 Linolenic acid
82 12.29 n.i.
82 13.64 279.231 [M-H]- C18H32O2 Linoleic acid
87 13.53 n.i.
87 13.67 279.231 [M-H]- C18H32O2 Linoleic acid
87 13.84 n.i.
93 14.95 255.230 [M-H]- C16H32O2 Palmitic acid
93 15.31 635.290 [M-H]- C31H40N8O7 ?
100 15.95 n.i.

n.d.; not ditected

n.i.; not identified parent ion

?; not annotated from database