Pohl L R, Nelson S D, Garland W A, Trager W F
Biomed Mass Spectrom. 1975 Feb;2(1):23-30. doi: 10.1002/bms.1200020106.
An ion doublet chemical ionization mass spectrometry technique was utilized for the rapid detection and elucidation of the structure of a new hydroxylated metabolite of the oral anticoagulant warfarin. This technique involves the use of a 50:50 mixture of stable isotope labeled and unlabeled drug. With this procedure ions found in the mass spectrum which are associated with the administered drug can be identified unambiguously. The unknown metabolite from rat liver microsomal preparations was identified as benzylic hydroxywarfarin by reincubating the microsomes with warfarin specifically labeled in the benzylic position and observing the subsequent loss of label in the product. The ion doublet technique was also employed in a single human study, and benzylic hydroxywarfarin was detected and identified.
采用离子对化学电离质谱技术快速检测并阐明了口服抗凝剂华法林一种新的羟基化代谢物的结构。该技术使用稳定同位素标记和未标记药物的50:50混合物。通过此程序，可明确鉴定质谱中与给药药物相关的离子。通过将微粒体与苄基位置特异性标记的华法林重新孵育，并观察产物中随后的标记损失，将来自大鼠肝微粒体制剂的未知代谢物鉴定为苄基羟基华法林。离子对技术也用于一项人体研究，检测并鉴定出了苄基羟基华法林。
