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Lysmeral – Determination of hydroxylysmerylic acid, 4-tert-butylbenzoic acid, tert-butylhippuric acid, lysmerylic acid, and lysmerol in urine by UPLC-MS/MS

2021/12/30 by Scherer, Gerhard, Rögner, Nadine, Gilch, Gerhard +9
#1-Dimethylethyl)-β-methylbenzolpropanol #1-dimethylethyl)-α-methylbenzenepropanoic acid #1-dimethylethyl)-α-methylbenzolpropansäure #1-dimethylethyl)-β-methylbenzenepropanol #2-(4-tert-Butylbenzyl)propionaldehyd #2-(4-tert-butylbenzyl)propion aldehyde #3-(4-tert-Butylphenyl)-2-methylpropanol #3-(4-tert-Butylphenyl)-2-methylpropansäure #3-(4-tert-butylphenyl)-2-methylpropanoic acid #3-(4-tert-butylphenyl)-2-methylpropanol #4-(1 #4-(2-Hydroxy-1 #4-(2-hydroxy-1 #4-tert-Butylbenzoesäure #4-tert-butylbenzoic acid #Biomonitoring #Duftstoff #ESI− #Hochleistungsflüssigkeitschromatographie mit Tandem-Massenspektrometrie #Hydroxylysmerylsäure #Lilial #Lilienaldehyd #Lysmeral #Lysmeral-Metaboliten #Lysmerol #Lysmerylsäure #N-(4-tert-Butylbenzoyl)glycin #N-(4-tert-butylbenzoyl)glycine #TBBA #TBHA #UPLC-MS/MS #Ultra high-pressure liquid chromatography with tandem mass spectrometry #Urin #[(4-tert-Butylbenzoyl)amino]essigsäure #[(4-tert-butylbenzoyl)amino]acetic acid #biomonitoring #fragrance #hydroxylysmerylic acid #lilial #lily aldehyde #lysmeral #lysmeral metabolites #lysmerol #lysmerylic acid #tert-Butylhippursäure #tert-butylhippuric acid #urine

paper · doi:10.34865/bi8054e6_4or

Abstract

The working group “Analyses in Biological Materials” of the Permanent Senate Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area developed and verified the presented biomonitoring method.With the procedure described below, the following lysmeral metabolites are determined in urine: hydroxylysmerylic acid, 4‑tert‑butylbenzoic acid (TBBA), tert‑butylhippuric acid (TBHA), lysmerylic acid, and lysmerol. Following the addition of the deuterated internal standards (TBBA‑d 13 , lysmerylic acid‑d 8 , and lysmerol‑d 8 ) to 1 ml of urine, an enzymatic cleavage is carried out using β‑glucuronidase. The samples are then subjected to liquid-liquid extraction with dichloromethane. The extracts are evaporated to dryness and derivatised with 3‑nitrophthalic anhydride. The analysis is performed by UPLC‑MS/MS following negative electrospray ionisation (ESI−).

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