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. 2020 Oct 22;25(21):4890. doi: 10.3390/molecules25214890

Table 4.

Liquid chromatography-tandem mass spectrometry (LC–MS/MS) of AG IV sub-fraction.

Peak No. Retention Time (min) ESI (-) MS Observed ESI (-) MS Calc. Molecular Formula Δppm MS/MS Tentative Identity
1 12.36 333.2072 333.2071 C20H30O4 0.3 289, 287,
271, 253,
229, 135,
113, 95, 87,
83, 69, 57		 Mulinic acid
or
14α-hydroxymulin-12-en-11-one-20-oic acid [25]
2 13.40 333.2072 333.2071 C20H30O4 0.3 289, 287,
271, 253,
229, 135,
113, 95, 87,
83, 69, 57		 Mulinic acid
or
14α-hydroxymulin-12-en-11-one-20-oic acid [25]
3 13.94 331.1917 331.1915 C20H28O4 0.6 287, 269,
259, 243,
229, 215,
121, 111,
109, 96, 83		 Mulin-12-en-11, 14-dion-20-oic acid
[26]
4 14.43 303.1945 303.2345 C20H32O2 4.9 259, 249,
243, 217,
189, 135,
123, 95, 81,
57		 Azorellanone 33
or
Dihydroazorellolide [28]
5 16.61 497.2734 497.2756 C26H42O9 −4.4 333, 271,
229, 135,
113, 95, 83,
69, 57		 Mulinic acid hexoside derivative