Identification of metabolites of the novel anti‐tumor drug candidate MDH‐7 in rat urine by liquid chromatography coupled with triple quadrupole linear ion trap mass spectrometry

Li, Juan; Chen, Yu; Diao, Yanyan; Su, Yingqian; Wang, Qingli; Yao, Zhicun; Yi, Tianxiang; Jin, Wenting; Zhao, Dan; Wang, Caihong; Liu, Mengru; Liu, Hong‐Min

doi:10.1002/rcm.7506

Cited by 3 publications

(2 citation statements)

References 13 publications

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“…The caffeine metabolites in lettuce were identified using the optimized EMS-IDA-EPI scan in LC-QTrap-MS/MS. The EMS-IDA-EPI scan is commonly used to identify metabolites in non-target screening . In this study, eight metabolites derived from caffeine were tentatively identified, which were xanthine, methylxanthine, theobromine, paraxanthine, theophylline, 1,3-dimethyluric acid, 1,3,7-trimethyluric acid (M210), and 8-hydroxy-1,3,7-trimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione (M212) (Table S3).…”

Section: Resultsmentioning

confidence: 99%

“…The EMS-IDA-EPI scan is commonly used to identify metabolites in non-target screening. 43 In this study, eight metabolites derived from caffeine were tentatively identified, which were xanthine, methylxanthine, theobromine, paraxanthine, theophylline, 1,3-dimethyluric acid, 1,3,7-trimethyluric acid (M210), and 8-hydroxy-1,3,7-trimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione (M212) (Table S3). Among these eight metabolites, the commercially available authentic standards xanthine, 3-methylxanthine, 7-methylxanthine, theobromine, paraxanthine, theophylline, and 1,3-dimethyluric acid were used to confirm the metabolites in lettuce shoots based on the European Union Guideline 2002/657/EC.…”

Section: ■ Materials and Methodsmentioning

confidence: 98%

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Metabolic Demethylation and Oxidation of Caffeine during Uptake by Lettuce

Chuang

Liu

Hammerschmidt

et al. 2018

J. Agric. Food Chem.

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Pharmaceuticals can be metabolized after being taken up by plants. The metabolites could manifest similar or equivalent bioactivity to the parent compound, promoting the critical need to understand the metabolism in plants. Caffeine has been frequently detected in agriculture produce; however, little attention is given to its metabolites in vegetables. This study examined uptake and metabolism of caffeine in lettuce in a hydroponic system. Caffeine and its metabolites in aqueous solution and lettuce were identified and quantified using a liquid chromatography coupled to a QTrap tandem mass spectrometry instrument. After 144 h, over 50% of applied caffeine dissipated in the hydroponic lettuce system, and eight caffeine metabolites were identified primarily in the shoots. Caffeine underwent demethylation reactions, which were confirmed with authentic standards, and the total amount accounted for 20% of the initially applied caffeine. Other metabolism pathways included oxidation and hydroxylation, and the amount of metabolites increased over uptake time.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Materials and Methodsmentioning

confidence: 98%