Suspect-screening analysis of a coastal watershed before and after hurricane Florence using high-resolution mass spectrometry

2021 ◽  
pp. 146862
Author(s):  
Melanie L. Hedgespeth ◽  
James P. McCord ◽  
Katherine A. Phillips ◽  
Mark J. Strynar ◽  
Damian Shea ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Screening Analysis ◽  
Suspect Screening ◽  
Coastal Watershed ◽  
High Resolution Mass ◽  
Before And After ◽  
Resolution Mass

scholarly journals Study of Grape Polyphenols by Liquid Chromatography-High-Resolution Mass Spectrometry (UHPLC/QTOF) and Suspect Screening Analysis

2015 ◽  
Vol 2015 ◽  
pp. 1-10 ◽  
Author(s):  
Riccardo Flamini ◽  
Mirko De Rosso ◽  
Luigi Bavaresco
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Molecular Formula ◽  
Screening Analysis ◽  
Suspect Screening ◽  
High Resolution Mass ◽  
Negative Ionization ◽  
Resolution Mass

Suspect screening analysis is a targeted metabolomics method in which the identification of compounds relies on specific available information, such as their molecular formula and isotopic pattern. This method, coupled to liquid chromatography-high-resolution mass spectrometry, is effective in the study of grape metabolomics, in particular for characterization of flavonols, stilbene derivatives, and anthocyanins. For identification of compounds expected in the samples, a new database of putative compounds was expressly constructed by using the molecular information on potential metabolites of grape and wine from the literature and other electronic databases. Currently, this database contains around 1,100 compounds. The method allows identification of several hundred grape metabolites with two analyses (positive and negative ionization modes), and performing of data reprocessing using “untargeted” algorithms also provided the identification of some flavonols and resveratrol trimers and tetramers in grape for the first time. This approach can be potentially used in the study of metabolomics of varieties of other plant species.

scholarly journals Suspect Screening of Hydrocarbon Surfactants in AFFFs and AFFF-Contaminated Groundwater by High-Resolution Mass Spectrometry

2019 ◽  
Vol 53 (14) ◽  
pp. 8068-8077 ◽  
Author(s):  
Raymmah Aleyda García ◽  
Aurea C. Chiaia-Hernández ◽  
Pablo A. Lara-Martin ◽  
Martin Loos ◽  
Juliane Hollender ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Contaminated Groundwater ◽  
Suspect Screening ◽  
High Resolution Mass ◽  
Resolution Mass

scholarly journals Distinguishing between Contact and Administration of Heroin from a Single Fingerprint using High Resolution Mass Spectrometry

2019 ◽  
Vol 44 (3) ◽  
pp. 218-225 ◽  
Author(s):  
Catia Costa ◽  
Mahado Ismail ◽  
Derek Stevenson ◽  
Brian Gibson ◽  
Roger Webb ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Drug Testing ◽  
Drug Users ◽  
High Resolution Mass Spectrometry ◽  
Hand Washing ◽  
Heroin Use ◽  
High Resolution Mass ◽  
Before And After ◽  
Resolution Mass

Abstract Fingerprints have been proposed as a promising new matrix for drug testing. In previous work it has been shown that a fingerprint can be used to distinguish between drug users and nonusers. Herein, we look at the possibility of using a fingerprint to distinguish between dermal contact and administration of heroin. Fingerprint samples were collected from (i) 10 patients attending a drug rehabilitation clinic, (ii) 50 nondrug users and (iii) participants who touched 2 mg street heroin, before and after various hand cleaning procedures. Oral fluid was also taken from the patients. All samples were analyzed using a liquid chromatography—high resolution mass spectrometry method validated in previous work for heroin and 6-AM. The HRMS data were analyzed retrospectively for morphine, codeine, 6-acetylcodeine and noscapine. Heroin and 6-AM were detected in all fingerprint samples produced from contact with heroin, even after hand washing. In contrast, morphine, acetylcodeine and noscapine were successfully removed after hand washing. In patient samples, the detection of morphine, noscapine and acetylcodeine (alongside heroin and 6-AM) gave a closer agreement to patient testimony on whether they had recently used heroin than the detection of heroin and 6-AM alone. This research highlights the importance of washing hands prior to donating a fingerprint sample to distinguish recent contact with heroin from heroin use.

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