Discovering metabolites of post-harvest fungicides in citrus with liquid chromatography/time-of-flight mass spectrometry and ion trap tandem mass spectrometry

Thurman, E. Michael; Ferrer, Imma; Zweigenbaum, Jerry; García-Reyes, Juan F.; Woodman, Michael; Fernández‐Alba, Amadeo R.

doi:10.1016/j.chroma.2005.03.042

Cited by 112 publications

(59 citation statements)

References 16 publications

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“…However, national regulations can vary when considering a metabolite as relevant and including it in the definition of residue. For example, the imazalil metabolite 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1H-imidazole is included in USA regulations [7] but not in those of the EU.…”

Section: Introductionmentioning

confidence: 99%

Use of ultra‐high‐pressure liquid chromatography–quadrupole time‐of‐flight MS to discover the presence of pesticide metabolites in food samples

Hernández¹,

Grimalt

Pozo

et al. 2009

J of Separation Science

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Section: Introductionmentioning

confidence: 99%

Use of ultra‐high‐pressure liquid chromatography–quadrupole time‐of‐flight MS to discover the presence of pesticide metabolites in food samples

Hernández¹,

Grimalt

Pozo

et al. 2009

J of Separation Science

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“…This analysis is more complicated because it requires the identification of unknown compounds. The high resolving power of mass spectrometric techniques, such as TOF-MS, has been applied successfully to this field (Thurman et al, 2005a(Thurman et al, , 2005b. There are two reports that describe an interesting identification scheme, using a combination of LC-MS/TOF and LC-MS QIT with searching of empirical formulas generated through accurate mass and a ChemIndex or MerckIndex databases.…”

Section: Liquid Chromatography-mass Spectrometry (Lc/ms) Applicationsmentioning

confidence: 99%

“…There are two reports that describe an interesting identification scheme, using a combination of LC-MS/TOF and LC-MS QIT with searching of empirical formulas generated through accurate mass and a ChemIndex or MerckIndex databases. This scheme has been applied to investigate imazalil and prochloraz, the main degradation product of imazalil, and a non-previously reported prochloraz degradation product in citrus fruits extract (Thurman et al, 2005a) and to discover unknown pesticides in tomato skin (Thurman, 2005b). This identification was accomplished basically by combining the information provided by LC-TOF-MS accurate mass analysis with that deduced from the fragmentation pathway of the parent compound and carried out by LCion trap MS n experiments (typically MS/MS or MS 3 ).…”

Section: Liquid Chromatography-mass Spectrometry (Lc/ms) Applicationsmentioning

confidence: 99%

Highlights of Mass Spectrometric Methodologies in Environmental Pollution

Attya¹,

Cavaliere²,

Mazzotti³

et al. 2011

Pesticides in the Modern World - Trends in Pesticides Analysis

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“…For example, Thurman et al 9 used an approach of TOF, ion trap, and the Merck Index database to identify pesticides in food and also degradation products, without the initial use of primary standards. [9][10][11] Bobeldijk et al also used the Merck Index, the NIST library, and their own database to screen water pollutants. 12 The methods in these examples rely on manually searching the databases, compound by compound.…”

mentioning

confidence: 99%

Exact‐mass library for pesticides using a molecular‐feature database

Ferrer

Fernández‐Alba

Zweigenbaum

et al. 2006

Rapid Comm Mass Spectrometry

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An automated molecular-feature database (MFD) consisting of the exact monoisotopic mass of 100 compounds, at least one exact mass product ion for each compound, and chromatographic retention time were used to identify pesticides in food and water samples. The MFD software compiles a list of accurate mass ions, excludes noise, and compares them with the monoisotopic exact masses in the database. The screening criteria consisted of +/-5 ppm accurate mass window, +/-0.2 min retention time window, and a minimum 1000 counts (signal-to-noise (S/N) ratio of approximately 10:1). The limit of detection for 100 tested compounds varied from <0.01 mg/kg for 72% of the compounds to <0.1 mg/kg for 95% of the compounds. The MFD search was useful for rapid screening and identification of pesticides in food and water, as shown in actual samples. The combined use of accurate mass and chromatographic retention time eliminated false positives in the automated analysis. The major weakness of the MFD is matrix interferences and loss of mass accuracy. Strengths of the MFD include rapid screening of 100 compounds at sensitive levels compared with a manual approach and the ease of use of the library for any accurate mass spectrometer instrumentation capable of routine sub-5-ppm mass accuracy.

show abstract

Discovering metabolites of post-harvest fungicides in citrus with liquid chromatography/time-of-flight mass spectrometry and ion trap tandem mass spectrometry

Cited by 112 publications

References 16 publications

Use of ultra‐high‐pressure liquid chromatography–quadrupole time‐of‐flight MS to discover the presence of pesticide metabolites in food samples

Use of ultra‐high‐pressure liquid chromatography–quadrupole time‐of‐flight MS to discover the presence of pesticide metabolites in food samples

Highlights of Mass Spectrometric Methodologies in Environmental Pollution

Exact‐mass library for pesticides using a molecular‐feature database

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