. Author manuscript; available in PMC: 2021 Oct 1.

Published in final edited form as: J Chromatogr B Analyt Technol Biomed Life Sci. 2020 Jul 29;1154:122288. doi: 10.1016/j.jchromb.2020.122288

Table 1.

Targets of Quantification. EMs were derivatized with 1-methylimidazole-2-sulfonyl chloride (MIS) prior to analysis with UHPLC-HRMS. Three metabolites were derivatized on two separate functional groups, as noted below. N/A indicates standard not available.

Derivatized Estrogen Metabolite	Abbreviation	Metabolite [M+H]⁺	Isotope Label	Standard [M+H]⁺
Estrone-MIS	E1-MIS	415.1686	¹³C₃	418.1787
17β-Estradiol-MIS	E2-MIS	417.1843	¹³C₆	423.2044
16α-Hydroxyestrone-MIS	16α-OHE1-MIS	431.1635	¹³C₃	434.1736
16-Ketoestradiol-MIS	16-ketoE2-MIS	431.1635	D₅	436.1949
Estriol-MIS	E3-MIS	433.1792	¹³C₃	436.1892
16-Epiestriol-MIS	16-epiE3-MIS	433.1792	D₂	435.1917
17-Epiestriol-MIS	17-epiE3-MIS	433.1792	N/A	N/A
2-Hydroxyestrone-MIS₂	2-OHE1-MIS₂	575.1629	¹³C₆	581.1830
2-Hydroxyestradiol-MIS₂	2-OHE2-MIS₂	577.1785	¹³C₆	583.1986
4-Hydroxyestrone-MIS₂	4-OHE1-MIS₂	575.1629	¹³C₆	581.1830
2-Methoxyestrone-MIS	2-MeOE1-MIS	445.1792	¹³C₆	451.1993
2-Methoxyestradiol-MIS	2-MeOE2-MIS	447.1948	¹³C₆	453.2149
3-Methoxyestrone-MIS	3-MeOE1-MIS	445.1792	¹³C₆	451.1993
4-Methoxyestrone-MIS	4-MeOE1-MIS	445.1792	¹³C₆	451.1993
4-Methoxyestradiol-MIS	4-MeOE2-MIS	447.1948	¹³C₆	453.2149