Fast and sensitive determination of 10 forbidden phthalates in perfumes by ultra–high performance liquid chromatography–electrospray ionization–tandem mass spectrometry

Wei, Xiaoyi; Li, Ruo-Qi; Han, Yu; Wang, Ren-Qi

doi:10.1016/j.chroma.2018.10.009

Cited by 7 publications

(6 citation statements)

References 33 publications

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“…S is a coefficient related to the strength of a pure organic modifier in mobile phases and the molecular structure of an analyte; C water is the volumetric ratio of water in the mobile phase, which can be calculated as an integral value based on the instantaneous value of water ratio C water,t in an elution gradient setting; k b indicates the retention of a molecule using pure water as the mobile phase; and t R is the retention time.…”

Section: Methodsmentioning

confidence: 99%

“…In addition, the serial gradients designed for Hela cell analysis started with the same mobile phase with low elution strength to hold the samples (i.e., RPLC started with 98% water for 2 min and HILIC started with 100% acetonitrile for 1.5 min, Figure S1 B and C). It may take some time for different LC gradients to condition the LC column and alter retention times of untargeted metabolites . By examining total ion currents (TICs) of analytical data, baselines were observed to increase after 5 min.…”

Section: Methodsmentioning

confidence: 99%

“…It may take some time for different LC gradients to condition the LC column and alter retention times of untargeted metabolites. 25 By examining total ion currents (TICs) of analytical data, baselines were observed to increase after 5 min. Thus, we set a "gradient change spot" of 5 min, meaning that different gradients may alter retention times of metabolites if they were eluted after 5 min.…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

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CRB-SWATH: A Method for Enhancing Untargeted Precursor Ion Extraction and Automatically Constructing Their Tandem Mass Spectra from SWATH Datasets by Chromatographic Retention Behaviors

et al. 2021

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Sequential window acquisition of all theoretical spectra (SWATH) as a typical data-independent acquisition (DIA) strategy is favorable for untargeted metabolomics. It could theoretically acquire product ions of all precursor ions, including precursor ions showing chromatographic peaks of rather poor qualities. However, existing data processing methods present limited capabilities in capturing poor-quality peaks of precursor ions. Thus, although their product ions could be acquired, their precursor ions are absent. Here, we present a new strategy, chromatographic retention behavior-SWATH (CRB-SWATH), that could unbiasedly capture poor-quality peaks and provide high resolutions of multiplexed mass spectroscopy (MS/MS) spectra in SWATH datasets. CRB-SWATH monitors CRBs of SWATH-MS signals under a series of altered elution gradients. As signals of compounds differ from noise by showing CRBs, both the precursor and fragment ions are captured, while ignoring their peak qualities. Moreover, CRB-SWATH offers good chances to resolve highly multiplexed MS/MS spectra in SWATH datasets because precursor ions coeluted in a single elution gradient often present different CRBs. In the untargeted metabolic analysis of Hela cell extracts, CRB-SWATH showed the advantage in exclusively capturing 2645 ions of poorquality peaks (i.e., tiny peaks, discontinuous ion traces, tailing peaks, zigzag peaks, etc.), accounting for 34.4% of all the untargeted precursor ions extracted. Therein, it is noteworthy that among 2116 negative ions detected in hydrophilic interaction liquid chromatography (HILIC) mode, 1284 poor-quality ion peaks (>60%) were exclusively captured by CRB-SWATH. As CRB-SWATH automatically captures a large sum of true ion peaks of poor qualities, extracts MS/MS spectra of high purities, and provides chromatographic retention behaviors of untargeted metabolites for identification and classification, it could be a useful metabolomics tool for understanding biological phenomena better.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: ■ Experimental Sectionmentioning

confidence: 99%

See 1 more Smart Citation

CRB-SWATH: A Method for Enhancing Untargeted Precursor Ion Extraction and Automatically Constructing Their Tandem Mass Spectra from SWATH Datasets by Chromatographic Retention Behaviors

et al. 2021

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“…Spiked blank sample solution was prepared with blank sample solution to 1000 μg/L in the dark. A series of matrix calibration solutions (1,5,10,20,50, 100 μg/L) were freshly prepared by dilution of the spiked blank sample solution with blank sample solution.…”

Section: Preparation Of Matrix Calibration Solutionsmentioning

confidence: 99%

“…The risk compounds screened by the platform can further establish corresponding standard test methods, which can provide a technical basis for supervision. Conventional assay methods used in routine supervision include LC [1,2], GC [3], LC-MS/MS [4][5][6][7], and GC-MS/MS [8,9], which can accurately measure known cosmetic risk substances such as hormones [10,11], antibiotics [12,13], and other risky substances. However, conventional screening and detection methods need to be based on the information data of known risk substances.…”

Section: Introductionmentioning

confidence: 99%

Characterization and determination of benvitimod, an unknown risk substance in cosmetics, using nuclear magnetic resonance spectroscopy and HPLC‒MS/MS

Wang

et al. 2022

J of Separation Science

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Ultrahigh-performance liquid chromatography-tandem high-resolution mass spectrometry, combined with preparative chromatography and nuclear magnetic resonance spectroscopy, a new method for identifying unknown risk substance structures in cosmetics has been established. Moreover, HPLC-MS/MS was developed for the determination of benvitimod in cosmetics. The sample was collected in ultrahigh-performance liquid chromatography-tandem highresolution mass spectrometry, and the molecular formula of the unknown was obtained as C 17 H 18 O 2 . After preparative chromatography enrichment and purification, the enriched compound was scanned by nuclear magnetic resonance spectroscopy, and the chemical structure of the unknown compound was confirmed to be benvitimod. Subsequently, the separation was determined in multiple reaction monitoring mode. The results showed that the linearity of benvitimod was good in the range of 1-100 μg/L with a correlation coefficient r 2 > 0.999; the limits of detection and quantification were 0.02 mg/kg and 0.067 mg/kg; the precision and stability were good; and the average recoveries were 104.2%, 108.2%, and 108.7% for low, medium, and high spiked concentrations, respectively. Forty batches of cosmetics were screened, of which two batches were detected with the illegal addition of benvitimod at 2.48 and 3.13 g/kg. The method effectively solved the loopholes in regulation and provided a research basis for the qualitative identification of structurally unknown compounds in cosmetics.

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Rapid determination of phthalates in paper products by supercritical fluid chromatography/tandem mass spectrometry

Ovchinnikov

Falev

Solovyova

et al. 2022

J of Separation Science

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Phthalic acid esters are widely used as components of industrial and consumer products including paper and cardboard packaging materials in contact with food or human skin. Being endocrine-disrupting chemicals, phthalic acid esters have a negative effect on human health and must be controlled in pulp and paper products. In the present study, supercritical fluid chromatography-tandem mass spectrometry in combination with pressurized liquid extraction was proposed for phthalic acid esters determination in such objects. Octadecyl stationary phase with non-endcapped silanol groups ensured rapid (4 min) separation of the 10 priority phthalic acid esters in isocratic elution mode and allowed for effective elimination of interferences from the trace impurities of phthalic acid esters in the mobile phase. The attained limits of quantitation are in the range of 0.7-10 μg/L in extracts and 0.02-0.3 μg/g in paper and cardboard samples.The developed method is distinguished by analysis rapidity, easy sample preparation procedure, high selectivity, low susceptibility to mobile phase contamination with analytes, low cost, and environmental friendliness due to the use of carbon dioxide as a main component of the mobile phase. The method was successfully tested on real samples of toilet paper and food packaging paper and cardboard in which eight analytes were found at the levels of 0.03-43.5 μg/g.

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Fast and sensitive determination of 10 forbidden phthalates in perfumes by ultra–high performance liquid chromatography–electrospray ionization–tandem mass spectrometry

Cited by 7 publications

References 33 publications

CRB-SWATH: A Method for Enhancing Untargeted Precursor Ion Extraction and Automatically Constructing Their Tandem Mass Spectra from SWATH Datasets by Chromatographic Retention Behaviors

CRB-SWATH: A Method for Enhancing Untargeted Precursor Ion Extraction and Automatically Constructing Their Tandem Mass Spectra from SWATH Datasets by Chromatographic Retention Behaviors

Characterization and determination of benvitimod, an unknown risk substance in cosmetics, using nuclear magnetic resonance spectroscopy and HPLC‒MS/MS

Rapid determination of phthalates in paper products by supercritical fluid chromatography/tandem mass spectrometry

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