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. 2023 Jun 8;14:1159094. doi: 10.3389/fphar.2023.1159094

TABLE 2.

The information on the main metabolites in the serum form of JCF.

Metabolite name CAS number Formula Response Neutral Mass (Da) Mass error (ppm) Observed RT (min) Adducts Relative amounts (%)
Cholic Acid 81–25–4 C24H40O5 2605858 408.2876 1.1 27.41 -H 47.775
Linoleic Acid 60–33–3 C18H32O2 1158415 280.2402 1.4 43.16 -H 21.238
Deoxycholic Acid 83–44–3 C24H40O4 884,865 392.2927 0.7 28.15 -H 16.223
Elaidic Acid-1 112–79–8 C18H34O2 399,624 282.2559 0.8 45.72 -H 7.327
Hexadecanoic Acid 57–10–3 C16H32O2 226,615 256.2402 1.7 45.07 -H 4.155
Riboflavin 83–88–5 C17H20N4O6 41,943 376.1383 −0.7 15.4 +H, +Na 0.769
Geniposide 24512–63–8 C17H24O10 30,307 388.137 −2.5 15.16 +Na 0.556
Ambrettolide 123–69–3 C16H28O2 26,669 252.2089 2.4 28.15 +Na 0.489
3′,4′,7-Trihydroxyflavone 2150–11–0 C15H10O5 20,418 270.0528 −6.9 18.8 +H 0.374
Panaxydol 72800–72–7 C17H24O2 9648 260.1776 −7.1 31.4 +H 0.177