Table 1. Liquid Chromatography–Mass Spectrometry of a FerGlyJun Self-Assembly.

retention time (RT, min)	m/z, observed molecular ion [M + H]+a	m/z, predicted	difference, ppm	identified compound	m/z, observed adducts and fragmentsb
9.2	195.0657	195.0652	2.6	Ferulic acidc
12.3	445.14931	445.1495	–0.42682	GlyFer2	444.1415 [M+]
16.4	347.2792	347.2793	–20.099	GlyJun	369.2612 [M + Na]+
17.8	273.2430	273.2424	2.2	Juniperic acidc
19.1	449.2898	449.2898	1.71382	FerJun
20.7		268.0828	42.1512	FerGly	268.0941 [M+]
21.3	523.3266	523.3278	–2.3886	FerJunGly or GlyJunFer or FerGlyJun	522.3245 [M+]

^aExtracted ion chromatogram (EIC).

^bFragments and adducts observed at the same RT.

^cChecked by LC–MS runs of authentic standard compounds.