Identification of urinary biomarkers of exposure to di-(2-propylheptyl) phthalate using high-resolution mass spectrometry and two data-screening approaches

Shih, Chia Lung; Liao, Pao Mei; Hsu, Jen Yi; Chung, Yi Ning; Zgoda, Victor G.; Liao, Pao Chi

doi:10.1016/j.chemosphere.2017.10.162

Cited by 11 publications

(15 citation statements)

References 21 publications

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“…No metabolite candidates that were validated when DPHP was taken as the precursor seem to be reasonable, because phthalates are first metabolized to a monoester, followed by various oxidation or reduction products [ 12 ]. Based on molecular ion m/z information, these tentative exposure marker signals contain three known DPHP metabolites, OH-MPHP, oxo-MPHP, and cx-MPHxP [ 9 ] and one tentative DPHP metabolite [ 10 ]. These tentative exposure marker signals contain some isomers, indicating that chemical structures of these known DPHP metabolites may have isomers in urine.…”

Section: Resultsmentioning

confidence: 99%

“…Six tentative exposure marker signals were inferred as the three known DPHP metabolites (oxo-MPHP (M13), OH-MPHP (M16, M17, and M18), and cx-MPHxP (M24)) based on their speculated structures. The chemical structures (M10, M25, and M26) have been identified by our group [ 10 , 11 ]. Two chemical structures (oxo-MPHxP and OH-MPHxP) that have not been reported in the literature were identified in this study.…”

Section: Resultsmentioning

confidence: 99%

“…Our group have used two metabolomics data-screening approaches-the signal mining algorithm with isotope tracing and the mass defect filter for identifying DPHP metabolite signals from in vitro DPHP incubation samples [ 10 ]. The two approaches identified 17 tentative exposure marker signals, including 4 known DPHP metabolites (MPHP, oxo-MPHP, OH-MPHP, and cx-MPHxP) and one novel tentative DPHP metabolites (OH-OH-MPHP).…”

Section: Resultsmentioning

confidence: 99%

“…In this study, the 4 known DPHP metabolites (oxo-MPHP, OH-MPHP, cx-MPHxP, and OH-OH-MPHP) and 3 novel tentative DPHP metabolites (oxo-MPHxP, OH-MPHxP, and cx-MPBP) were identified using UPLC-MS and a rat model. One known DPHP metabolite (MPHP) was not identified because the level of MPHP is very low in rat urine [ 10 ]. Also, MPHP was not used as exposure markers to assess human DPHP exposure levels, because of its low level in human urine [ 6 ].…”

Section: Resultsmentioning

confidence: 99%

“…Three (oxo-MPHP, OH-MPHP, and cx-MPHxP) of them have been used to assess human exposure levels [ 6 ]. In addition, one tentative DPHP metabolite ( m/z 337.168) has been discovered recently [ 10 ].…”

Section: Introductionmentioning

confidence: 99%

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Exposure marker discovery of di-2(propylheptyl) phthalate using ultra-performance liquid chromatography-mass spectrometry and a rat model

Shih

Hsu

Tien

et al. 2019

Journal of Food and Drug Analysis

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Di-(2-propylheptyl) phthalate (DPHP) is a plasticizer and has been suggested to be a subchronic toxicant in rats. DPHP has been approved to be used in food containers and handling by the U.S. Food and Drug Administration. The use of DPHP is still increasing, and the risk of human exposure to DPHP via food may be high. Exposure markers measured in human samples are commonly used to monitor human exposure levels. Ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) and a rat model were used to discover tentative DPHP exposure markers. DPHP and mono-(2-propylheptyl) phthalate (MPHP) were used as the precursors for calculating metabolite candidates using biotransformation mass changes of known enzymatic reactions. A rat model was designed to validate these metabolite candidates as tentative exposure markers. A total of 28 signals show dose–response relationships and these signals contain a few isomers. The chemical structures of 15 tentative exposure marker signals were speculated based on the product ion mass spectra from MS/MS analysis. These 15 signals included 7 chemical structures and some of them may be isomers. The different arrangement of the atoms in space of these isomers should be validated by standard compounds in the future studies. Among the 7 speculated chemical structures, 2 structures were novel tentative DPHP metabolites, and 5 structures have been previously reported in the literature. The results indicate that using UPLC-MS and a rat model can be used to identify tentative toxicant exposure markers.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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