Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer. Farré, M., Pico, Y., & Barcelo, D. Analytical Chemistry, 85(5):2638--2644, January, 2013.
Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer [link]Paper  doi  abstract   bibtex   
Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?
@article{farre_direct_2013,
	title = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},
	volume = {85},
	issn = {0003-2700},
	url = {http://dx.doi.org/10.1021/ac3026702},
	doi = {10.1021/ac3026702},
	abstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},
	number = {5},
	urldate = {2013-02-05},
	journal = {Analytical Chemistry},
	author = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},
	month = jan,
	year = {2013},
	pages = {2638--2644}
}
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