Automated Screening of 600 Pesticides in Food by LC/TOF MS Using a Molecular-Feature Database Search Application

Size: px
Start display at page:

Download "Automated Screening of 600 Pesticides in Food by LC/TOF MS Using a Molecular-Feature Database Search Application"

Transcription

1 Automated Screening of 600 Pesticides in Food by LC/TOF MS Using a Molecular-Feature Database Search Application Food Safety Authors E. Michael Thurman and Imma Ferrer Pesticide Residue Research Group University of Almería Almería, Spain Jerry A. Zweigenbaum Agilent Technologies, Inc Centerville Road Wilmington, DE USA Abstract Searching a database using a molecular feature (MF) algorithm was developed for the screening of 600 pesticides and degradates in extracts of food by liquid chromatography time-of-flight mass spectrometry in positive ion mode with full-scan accurate mass spectra. The database search works by compiling the accurate mass of the ions detected and identified as real compound chromatographic peaks without ion extraction and compares them with the monoisotopic exact masses of the compounds in the database. The screening criteria consisted of ± 5 ppm accurate mass window, ± 0.2 minute retention time window, and a minimum area count of 1,000 counts (signal-to-noise ratio of ~10:1). The limit of detection and retention time was determined for 100 of the 600 compounds and varied from <0.01 mg/kg for 34% of the compounds to <0.5 mg/kg for 95% of the compounds. Strengths of the MF algorithm include rapid screening of hundreds of compounds at sensitive levels in minutes compared to a manual approach of hours to days. Introduction Contamination of foodstuffs with pesticides always means a risk to the consumer. Fetuses, infants, and children, a particularly sensitive group, are currently protected by a limit of 0.01 mg/kg in baby food by European Union legislation [1]. Maximum residue limits (MRLs) should be set at the lowest possible level with the aim of setting products on the markets without any measurable residues. However, this is often difficult because of the use of fungicides for transport and storage of fruit and vegetables, as well as the use of insecticides for crop protection. The analysis of pesticides in baby food has involved both GC/MS and LC/MS methods. Classically, GC/MS has been used to look for volatile pesticides, especially the chlorinated insecticides and herbicides, and LC/MS has been used to monitor the more polar insecticides, herbicides, and fungicides. GC/MS methods rely on both full scan and selected ion monitoring. Recently the use of reverse search methods for GC/MS has made it possible to search large NIST pesticide libraries in minutes [2] and has made screening quite simple for pesticides amenable to GC/MS methods.

2 Unfortunately, similar reverse-search methods have not been available for LC/MS for two reasons. First, the single quadrupole and triple quadrupole methods do not operate in full scan mode for pesticide screening because of a lack of sensitivity. Second, standardization and reproducibility of CID fragmentation energy for broad usage has been difficult, making common spectral libraries unavailable. Recently, the use of LC/TOF MS has shown that it has the capability and sensitivity to obtain full scan spectra with accurate masses of less than 1 ppm [3] suitable for database searching [4]. Experimental Vegetable and Fruit Extraction (QuEChERS) QuEChERS is the acronym for the extractionmethod, which stands for quick, easy, cheap, effective, rugged, and safe. It is a method that is widely receiving acceptance for rapid extraction of pesticides in food [5, 6]. Weigh 15 g of a previously homogenized sample into a 40-mL Teflon centrifuge tube. Add 15 ml of acetonitrile (containing 1% acetic acid), add 6 g of anhydrous MgSO 4 and 2.5 g of NaAc63H 2 O (sodium acetate trihydrate) and shake the sample vigorously for 1 min by using a vortex mixer at maximum speed or hand shaking. Centrifuge for 3 minutes at 3,700 rpm. Take 5 ml of supernatant into a 15-mL tube, add 250 mg of PSA adsorbent and 750 mg of MgSO 4, and vortex and shake for 20 s. Then centrifuge again for 3 min at 3700 rpm. Transfer 1.0 ml into LC/MS vial. The 1.0 ml supernatant is then evaporated to dryness and brought back up in 8/92% methanol/water for LC/MSD TOF and ion trap analysis. Direct analysis of the fruit and vegetable extracts were analyzed by injecting 50 µl. Nonfortified samples were analyzed directly at this same point by LC/MS TOF. LC/MS TOF Methods LC pumps: Agilent 1100 binary pumps, injection volume 50 µl with standard Agilent 1100 ALS Column: ZORBAX Eclipse XDB mm C-8, 5-micron (p/n ) Mobile Phase A = 0.1% formic acid in water, and B = acetonitrile, gradient began with 5 minutes isocratic at 10% B followed by a linear gradient to 100% B in 30 minutes at a flow rate of 0.6 ml/min Agilent 6210 LC/MS TOF with dual spray electrospray source Positive ESI, Capillary 4000 V Nebulizer 40 psig, drying gas 9 L/min, gas temp 300 C Fragmentor 190 V, skimmer 60 V, Oct DC V, OCT RF V 250 V Reference Masses: mass range (m/z) and , resolution: 9500 ± 500 at m/z , m/z 50 to 1,000, Reference A Sprayer 2 is constant flow rate during the run Results and Discussion Molecular Feature Database Search Theoretical monoisotopic exact masses of compounds based on their molecular formula were calculated using an Excel spreadsheet and put into csv (comma separated values) format for use by the TOF software of the Agilent LC/TOF MS system for 600 pesticides known to ionize by positive ion electrospray. The csv file is created in the TOF software by an Excel spreadsheet tool called Formula DB Generator. The csv file is then searched automatically by the LC/TOF MS instrument at the completion of the sample run and a report generated on compounds that were found in the database. Search criteria include ppm mass tolerance (5 ppm), retention time window (0.2 minutes) if available, and minimum peak height count, which is called the compound threshold (1,000 counts or a signal-to-noise ratio of ~ 10:1 or 0.06% relative volume), and adducts and neutral fragment losses. The search routine is called a molecular feature extractor and is software recently available on the Agilent LC/TOF MS (November 2005). The molecular feature extractor finds all ions in an LC/MS TOF data file representing ions of real compounds in the sample analyzed. Noise and other extraneous ions are excluded. The resulting list of ions are then searched against the csv database using the chosen criteria and ions found are then tabulated from the full scan spectrum and checked for accuracy and retention time against the database. The molecular feature approach is more suited to large libraries because of the ease of operation and the quickness for which the search is done. Thus, 2

3 each ion of interest in the database is not extracted from the sample file as in a reverse search. This procedure requires much more time with LC/TOF MS data files collected in profile mode. From this point, confirmation is carried out manually by checking the positive screens for retention time match and fragment ions (if present). The sample may be reanalyzed at a higher fragmentor voltage to check for fragment ions and confirmed by authentic standard analysis. Limit of Detection The limit of detection (LOD) was determined in several matrices, including spiked food samples and solvent extracts for 100 compounds (Table 1). These compounds consist of the major classes of pesticides that are commonly used in the United States and Europe for treating crops of fruits and vegetables. The limit of detection was based on an accurate mass of less than 3 ppm and the appearance of the correct accurate mass of A+1 and A+2 isotopic signatures. The LOD was determined at various levels for pesticide work, including the EU regulation of 0.01 mg/kg for baby food, and 0.05, 0.1, and 0.5 mg/kg for various food levels, depending on pesticide and crop type. The LOD was equal to or less than 0.01 ppm for 33 compounds and less than or equal to 0.05 for 60 compounds (60%). The 0.05 mg/kg LOD is also a critical one for food monitoring of banned substances or controlled compounds. The LOD for 95% of the compounds was equal to or less than 0.2 mg/kg for food. Only six compounds were found to be insensitive with LODs of 0.5 mg/kg for food. The insensitive compounds were promecarb and aldicarb, which are two carbamate pesticides that fragment easily in the electrospray source and give low abundance for the MH + ion. Likewise, malathion oxon and dimethoate are two organophosphate pesticides that fragment easily. Thus, these compounds could be more sensitively detected by the use of the more abundant fragment ion rather than the MH +. For example, Figure 1 shows the mass spectrum of dimethoate. The MH + ion is not the major fragment ion of the spectrum, and in fact has an intensity about three to four times less than the m/z ion. Furthermore, it must be taken into consideration that the LOD is affected by the matrix for two reasons. One is suppression of ionization and the second is interfering ions of nearly identical mass. Suppression of ionization has been tested in our previous work for some of these pesticides in food [7], including pepper, broccoli and tomato, melon, orange, and lemon, so we have experience on which matrices are most difficult. For example, Figure 2 shows the matrix chromatogram for pesticide-free pepper, which gives a complicated chromatogram. The MF database search identified ~3,000 compounds of which none were pesticides. These peaks contained signal-to-noise ratio of 10:1 or greater and present an extremely difficult matrix for which to find ions, especially at trace levels. Spiked food extracts of these difficult matrices were used to establish LOD for the compounds shown in Table 1. An example printout is shown in Figure 3. The report contains formula, compound, SH H 3 CO P S H N CH 3 OCH 3 C 5 H 13 NO 3 PS 2 + Exact mass: O Figure 1. Dimethoate mass spectrum showing low intensity of MH + ion and importance of using characteristic fragment ions to lower LODs on some compounds of low intensity, specifically, m/z ion. 3

4 Figure 2. Blank pepper sample showing complexity of the sample ~3000 accurate mass peaks were detected in this sample at signal to noise of 10:1 or greater. accurate mass of the neutral molecule, error in mda and error in ppm, retention time error in minutes, and a description (specifically, fungicide). The mass spectrum of the MH + and isotope signature of the compound are also shown, which is useful for a quick check and partial confirmation of the formula, especially since most pesticides show an interesting A+2 ion from a halogen or sulfur atom. A+2 Ions and Empirical-Formula Confirmation Because the MF database search is a screening program, a formula is not unequivocally confirmed at this point with a mass accuracy window of 5-ppm. The molecular formula (not molecular identification) may be confirmed by the A+2 isotopic signature of the compound. For example, 70% of the 600-compound database contains either S, Cl, or Br, which give the isotopic cluster of the A+2 ions. The accurate mass of the isotope along with the intensity profile can then be used as a first level confirmation of the empirical formula. Thus, this adds a great deal of confidence to the screening data of the accurate mass but of course does not yet meet the standards for identification of the molecule, a topic discussed later. For example, let us examine the isotopic signature of imazalil in a pear extract (Figure 4). The measured mass of the MH + was and the chlorine 37 isotope was Thus the difference in mass is mass units, which is the mass defect of a chlorine 37 atom relative to the chlorine 35 atom that has been replaced. Furthermore, the intensity of the A+2 peak is about 2/3 of the A peak, which is consistent with two chlorine atoms in the molecule. This is further established by the presence of an A+4 peak at Thus, these 4

5 Table 1. Limits of Detection for Pesticides in Food Samples with Retention Time and Accurate Mass Accurate mass LOD Compound Ret time Formula molecule food mg/kg Atrazine 21.1 C 8H 14N 5Cl Azoxystrobin 24.0 C 22H 17N 3O Benalaxyl 26.8 C 20H 23NO Buprofezin 27.2 C 16H 23N 3OS Cyanazine 22.0 C 9H 13N 6Cl Diazinon 27.6 C 12H 21N 2O 3PS Difenconazole 26.4 C 19H 17Cl 2N 3O Isomer 26.6 C 19H 17Cl 2N 3O Difenoxuron 21.3 C 16H 18N 2O Dimethomorph 22.2 C 21H 22NO 4Cl Fenamiphos 23.9 C 13H 22NO 3PS Imazalil 18.0 C 14H 14N 2OCl Imazapyr 20.0 C 13H 15N 3O Imazaquin 20.0 C 17H 17N 3O Irgarol 21.2 C 11H 19N 5S Irgarol metabolite 17.0 C 8H 15N 5S Isoproturon 21.3 C 12H 18N 2O Mebendazole 18.2 C 16H 13N 3O Metolachlor 25.6 C 15H 22NO 2Cl Metribuzin 15.0 C 8H 14N 4OS Nicosulfuron 17.0 C 15H 18N 6O 6S Prochloraz 23.0 C 15H 16Cl 3N 3O Prometon 16.6 C 10H 19N 5O Prometryn 19.0 C 10H 19N 5S Propazine 23.0 C 9H 16N 5Cl Propiconazole 25.9 C 15H 17CI 2N 3O Isomer 26.1 C 15H 17CI 2N 3O Simazine 18.8 C 7H 12N 5Cl Spinosyn A 20.9 C 41H 65NO Spinosyn D 21.9 C 42H 67NO Spiroxamine 19.6 C 18H 35NO Isomer 19.7 C 18H 35NO Terbuthylazine 23.4 C 9H 16N 5Cl Terbutyrn 20.4 C 10H 19N 5S Triflumazole 25.9 C 15H 15ClF 3N 3O Acetamiprid 16.3 C 10H 11N 4Cl Acetochlor 23.0 C 14H 20NO 2Cl Alachlor 23.0 C 14H 2ONO 2Cl Bensultap 21.4 C 17H 21NO 4S Bromuconazole 23.8 C 13H 12N 3OCl 2Br Carbaryl 21.3 C 12H 11NO Carbendazim 6.2 C 9H 9N 3O Carbofuran 20.4 C 12H 15NO Cartap 3.1 C 7H 15N 3O 2S Chlorfenvinphos 26.5 C 12H 14Cl 3O 4P Cyproconazole 23.4 C 15H 18N 3OCl Cyromazine 2.9 C 6H 10N Deethylatrazine 15.3 C 6H 10N 5Cl Deisopropylatrazine 12.1 C 5H 8N 5Cl Dichlorvos 20.0 C 4H 7Cl 2O 4P Dimethenamide 24.0 C 12H 18NO 2SCl Dimethoate 16.3 C 5H 12NO 3PS Diuron 21.0 C 9H 10N 2OCl

6 Table 1. Limits of Detection for Pesticides in Food with Retention Time and Accurate Mass (Continued) Accurate mass LOD Compound Ret time Formula molecule food mg/kg Ethiofencarb 21.8 C 11H 15NO 2S Fenuron 15.7 C 9H 12N 2O Imidacloprid 15.7 C 9H 10N 5O 2Cl Lenacil 19.2 C 13H 18N 2O Malathion C 10H 19O 6PS Malathion C 10H 19O 6PS Metalaxyl 21.2 C 15H 21NO Methiocarb 23.5 C 11H 15NO 2S Methomyl 12.1 C 5H 10N 2O 2S Monuron 18.7 C 9H 11ClN 2O Nitenpyram 11.9 C 11H 15CIN 4O Oxadixyl 19.1 C 14H 18N 2O Profenfos 28.6 C 11H 15BrCIO 3PS Promecarb 24.0 C 12H 17NO Propachlor 25.6 C 11H 14NOCl Prosulfocarb 29.0 C 14H 21NOS Thiabendazole 3.7 C 10H 7N 3S Thiacloprid 17.7 C 10H 9N 4SCl Thiocyclam 4.5 C 5H 11NS Aldicarb 18.5 C 7H 14N 2O 2S Aldicarb sulfoxide 6.0 C 7H 14N 2O 3S Bendiocarb 20.6 C 11H 13NO Chlorotoluron 20.4 C 10H 13N 2OCl Flufenacet 25.0 C 14H 13N 3O 2SF Hydroxyatrazine 11.5 C 8H 15N 5O Lufenuron 28.6 C 17H 8N 2O 3Cl 2F Metamytron 14.0 C 10H 10N 4O Methidathion 24.1 C 6H 11N 2O 4PS Methiocarb sulfone 17.4 C 11H 15NO 4S Molinate 24.8 C 9H 17NOS Parathion ethyl 27.3 C 10H 14NO 5PS Propanil 17.0 C 9H 9NOCl Triclocarban 27.5 C 13H 9CI 3N 2O Aldicarb sulfone 11.4 C 7H 14N 2O 4S Bromacil 18.5 C 9H 13N 2O 2Br Bromuconazole 23.8 C 13H 12N 3OCI 2Br Butylate 15.0 C 11H 23NOS Diflubenzuron 25.0 C 14H 9N 2O 2ClF Flufenoxuron 29.2 C 21H 11N 2O 3ClF Fluroxypyr 18.8 C 7H 5N 2O 3Cl 2F Hexaflumuron 27.2 C 16H 8N 2O 3Cl 2F Imazalil degradate 14.6 C 11H 10N 2OCl Iprodione 25.4 C 13H 13N 3O 3Cl Pendimethalin 25.0 C 13H 19N 3O Teflubenzuron 27.6 C 14H 6N 2O 2Cl 2F Captan 24.4 C 9H 8CI 3NO 2S Chloropyrifos methyl 28.2 C 7H 7CI 3NO 3PS Spiromesifen 23.0 C 23H 30O Thiosultap 3.2 C 5H 13NO 6S

7 Figure 3. Example of a report from the molecular feature database search. data are excellent for the confirmation of the molecular formula for imazalil (however not for the identification of imazalil). The mass accuracy was 0.8 mda off or 2.7 ppm error. Thus, this is an example of how one confirms the database screening of a pesticide molecular formula. The database report prints the isotopic signature and accurate masses to help for the manual screening of the database hits. When the formula does not contain an A+2 atom (that is, consists of only C, H, N, and O), then formula confirmation is not readily possible by this method. The reason being that only an A+1 peak is present and this peak is dominated by the carbon 13 signal of the molecule, which in itself is not enough for formula confirmation. Thus, for these pesticides (about 30% of the database) more data are required (specifically, retention time or fragment ion). Screening of Fruits and Vegetables Table 2 shows the results of screening six fruit and vegetable samples from a nearby grocery store (apple, pear, tomato, potato, pepper, and cucumber) and one commercial brand of olive oil for the 600 pesticides in the MF database search. The MF database search found from 617 to 2,681 accurate mass peaks in the sample chromatograms. The least complicated sample matrix was the tomato with 617 peaks, and the apple was the most complex sample with 2,681 peaks. The sensitivity of the MF database search was set at a signal-to-noise ratio of 10:1. The quantity of peaks found approximately doubles with decreasing the signal-to-noise ratio from 20:1 to 10:1. The value of 10:1 is chosen in order to obtain good values for the isotopic signature of the compound, which is the A+1 and A+2 isotope signatures with the maximum instrument sensitivity. The accuracy window of the MF database search is set at 5 ppm in order to be well within the mass accuracy of the LC/TOF MS system, which typically operates at less than 3 ppm and often at 1 to 2 ppm or approximately 0.3 mda [3]. The number of pesticides found in the 5 ppm mass window of these samples varied from 8 to 41 compounds. The only criterion to be included in this match was that the MH + ion was within 5 ppm of the database value. Thus, as an example, the pepper sample, which had 2,402 peaks, had only 41 of these peaks that met the 5-ppm accuracy window (Table 2). Of these 41 peaks only three formulae were confirmed based on the correct isotope signature and retention time match (for compounds not containing an A+2 isotope), which was checked not only in the printout of the automated database match, but also by manual confirmation of the data file. The confirmation of pesticides varied from no detections in the potato sample, one pesticide in olive oil, three pesticides in pepper and tomato, and five pesticides in the cucumber and apple. The most common compound found in the fruit and vegetable samples was imazalil, which is a postharvest fungicide used for transport and storage of fruits and vegetables before their sale. Other compounds included organophosphate insecticides, such as diazinon, phosmet, and malathion and the 7

8 Cl H 2 C O 1 37 Cl A+2 N NH Cl Cl A+4 Figure 4. Isotope cluster of the m/z 297 ion and imazalil structure in a pear extract. oxon of malathion, which is a pesticide degradate. The insect growth regulator buprofezin was found in a tomato sample, as was thiophanate methyl and carbendazim, both fungicides. The software originally used for this work did not address saturated peaks and compounds at high concentrations such as imazalil in the pear sample and buprofezin in the tomato sample were incorrectly identified. The latest software handles saturated peaks and correctly identified these compounds. The accuracy of all confirmed samples had an absolute-value average of 0.3 mda or 1.2 ppm and a standard deviation of 0.25 mda and 1.0 ppm, respectively (Table 2 ). The absolute-value average for retention time match was 0.07 minutes and standard deviation of 0.09 minutes. Thus, the windows chosen for the database are chosen with enough margin of error to find 99% of the compounds based on two standard deviations of the mean for mass accuracy and retention time. Screening of Baby-Food Samples Of the 100 tested compounds, 33 met the baby-food screening level of 0.01 mg/kg. The only compound detected by the database search was a trace level of imazalil in the puree of pear, banana, and orange. Furthermore, examination of the label shows that lemon juice was also used in the baby food, which was a possible source for the imazalil. The, concentration though was approximately mg/kg, which is considerably less than the levels for baby-food safety of 0.01 mg/kg. Imazalil is easily screened because it contains the characteristic A+2 chlorine signature with two chlorine atoms. The error in identification was 0.3 md or 1 ppm. None of the other compounds of the database was detected. Confirmation was not possible on this sample because of the low signal of the fragment ion and the low concentration of the suspected imazalil ( mg/kg). The sample was screened as safe, though, based on the health limit of 0.01 mg/kg for baby food. Approximately 10 different baby-food samples have been 8

9 Table 2. Screened Pesticides in Food Samples Using the MF Database Pesticide Retention Peaks matches Pesticides confirmed Error Error time error FALSE FALSE Sample screened < 5 ppm LC/TOF MS mda ppm (min.) negative positive Apple Imazalil 0 0 Imazalil degradate Iprodione Fluqinconazole Difenoconazole Olive oil Terbuthylazine (Deisopropylatrazine) 1 Pepper Imazalil Diazinon Buprofezin Tomato Buprofezin 0 (Benzthiazuron) 1 Carbendazim Thiophanate methyl Cucumber Thiabendazole Malathion isomer Malathion isomer Malathion oxon Imazalil Pear Imazalil 0 0 Carbendazim Imazalil degradate Phosmet Potato None 0 0 Mean Standard deviation screened, including a variety of brand-name vegetables and fruits and, fortunately, no positive detections have been found for the pesticides in the MF database search with the exception of imazalil shown above. The baby food samples represent the most difficult samples to screen because of the low LODs required. Weakness and Strengths of MF Database Search The only weakness of the database is the loss of mass accuracy because of interferences in the matrix. This problem is easily solved by the addition of a second ion (fragment ion) or a sodium or ammonium adduct ion for added confidence from matrix interference. The use of accurate mass LC/TOF MS combined with database searching is a powerful example of a new wave of monitoring technology for identification of pesticides in food and water. The use of classical fragmentation libraries with comparison of fragmentation patterns is not needed in LC/TOF MS. Rather the use of molecular formula and the calculated accurate mass, especially when combined with one or two fragment ions of accurate mass, gives the identity of compounds without the worry of the intensity of the fragment ions and how this may vary from instrument to instrument and matrix to matrix. For example, the Molecular Hunter Software works in conjunction with the Molecular Feature Database using the.mhd files to link ions in groups according to their exact retention time (matching within minutes). Therefore, it is possible to find and differentiate the fragment ions of a pesticide, such as imazalil, from the background ions of the matrix. Thus, it is the view of the authors that a large problem in LC/MS libraries is on the verge of being solved with the use of accurate mass 9

10 databases for pesticide screening in food with a molecular feature algorithmic approach using the MH + ion and a major fragment ion. References 1. PAN Europe position on the European Commission Proposal for a Regulation of the European Parliament and of the Council on maximum residue levels of pesticides in products of plant and animal origin COM(2003) 117 final, 2003/0052 (COD). 2. Phillip L. Wylie, Michael J. Szelewski, Chin-Kai Meng, and Christopher P. Sandy, Comprehensive Pesticide Screening by GC/MSD using Deconvolution Reporting Software, Agilent Technologies, publication EN. 3. Imma Ferrer, E. M. Thurman, 2005, Measuring the mass of an electron by LC/TOF MS: A study of twin ions, Analytical Chemistry, 77, E. Michael Thurman, Imma Ferrer, 2005, Identification of unknown pesticides in food using both LC/MSD TOF and ion trap MS n, Agilent Technologies, publication EN. 5. M. Anastassiades, S. J. Lehotay, D. Stajnbaher, and F. J. Schenck, Fast and Easy Multiresidue Method Employing Acetonitrile Extraction/Partitioning and Dispersive Solid-Phase Extraction for the Determination of Pesticide Residues in Produce, (2003) Journal of AOAC International, 86: S.J. Lehotay, K. Maštovská, A.R. Lightfield, Use of Buffering and Other Means to Improve Results of Problematic Pesticides in a Fast and Easy Method for Residue Analysis of Fruits and Vegetables, (2005) Journal of AOAC International, 88: Imma Ferrer, Juan F. Garcia-Reyes, M. Mezcua, E. M. Thurman, A. R. Fernandez-Alba, 2005, Multiresidue pesticide analysis in fruits and vegetables by liquid chromatography time-offlight mass spectrometry, J. Chromatography A, 1082, For More Information For more information on our products and services, visit our Web site at Agilent shall not be liable for errors contained herein or for incidental or consequential damages in connection with the furnishing, performance, or use of this material. Information, descriptions, and specifications in this publication are subject to change without notice. Agilent Technologies, Inc Printed in the USA October 26, EN

Multiresidue Analysis of 100 Pesticides in Food Samples by LC/Triple Quadrupole Mass Spectrometry Application

Multiresidue Analysis of 100 Pesticides in Food Samples by LC/Triple Quadrupole Mass Spectrometry Application Multiresidue Analysis of Pesticides in Food Samples by LC/Triple Quadrupole Mass Spectrometry Application Food Safety Authors Imma Ferrer and E. Michael Thurman Pesticide Residue Research Group University

More information

Available online at Journal of Chromatography A, 1175 (2007) 24 37

Available online at   Journal of Chromatography A, 1175 (2007) 24 37 Available online at www.sciencedirect.com Journal of Chromatography A, 1175 (2007) 24 37 Multi-residue method for the analysis of 101 pesticides and their degradates in food and water samples by liquid

More information

Higher Confidence in Identification with QTRAP LC/MS/MS Systems when Screening and Quantifying Pesticides in Fruit and Vegetable Samples

Higher Confidence in Identification with QTRAP LC/MS/MS Systems when Screening and Quantifying Pesticides in Fruit and Vegetable Samples Higher Confidence in Identification with QTRAP LC/MS/MS Systems when Screening and Quantifying Pesticides in Fruit and Vegetable Samples André Schreiber AB SCIEX, Concord, Ontario, Canada Figure 1. Ion

More information

Application Note. Authors. Abstract. Introduction. Environmental

Application Note. Authors. Abstract. Introduction. Environmental Using a Chlorine Filter for Accurate-Mass Data Analysis of Environmental Samples Application Note Environmental Authors Imma Ferrer and E. Michael Thurman Center for Environmental Mass Spectrometry University

More information

Analyzing Compounds of Environmental Interest Using an LC/Q-TOF Part 1: Dyes and Pigments. Application. Introduction. Authors. Abstract.

Analyzing Compounds of Environmental Interest Using an LC/Q-TOF Part 1: Dyes and Pigments. Application. Introduction. Authors. Abstract. Analyzing Compounds of Environmental Interest Using an LC/Q-TOF Part 1: Dyes and Pigments Application Environmental Authors Jim Lau, Chin-Kai Meng, and Jennifer Gushue Agilent Technologies, Inc. 285 Centerville

More information

Determination of pesticides in baby food by UHPLC/MS/MS using the Agilent 1290 Infinity LC system and the Agilent 6460 triple quadrupole LC/MS

Determination of pesticides in baby food by UHPLC/MS/MS using the Agilent 1290 Infinity LC system and the Agilent 6460 triple quadrupole LC/MS Determination of pesticides in baby food by UHPLC/MS/MS using the Agilent 1290 Infinity LC system and the Agilent 6460 triple quadrupole LC/MS Application Note Food Authors Gerd Vanhoenacker, Frank David,

More information

DETERMINATION OF PESTICIDES IN FOOD USING UPLC WITH POLARITY SWITCHING TANDEM QUADRUPOLE LC/MS/MS

DETERMINATION OF PESTICIDES IN FOOD USING UPLC WITH POLARITY SWITCHING TANDEM QUADRUPOLE LC/MS/MS DETERMINATION OF PESTICIDES IN FOOD USING UPLC WITH POLARITY SWITCHING TANDEM QUADRUPOLE LC/MS/MS Peter Hancock 1, Cristiana C. Leandro 2,3, Brendan J. Keely 2 and Richard J. Fussell 3 1 Waters Corporation,

More information

Determination of Pesticide Multiresidues in Apple, Pear and Grape using modified QuEChERS and analysis by LC-QTOF MS

Determination of Pesticide Multiresidues in Apple, Pear and Grape using modified QuEChERS and analysis by LC-QTOF MS Determination of Pesticide Multiresidues in Apple, Pear and Grape using modified QuEChERS and analysis by LC-QTOF MS Application Note Authors Renato Zanella, Juliana S. Munaretto, and Manoel L. Martins

More information

Accurate Mass Analysis of Hydraulic Fracturing Waters: Identification of Polyethylene Glycol Surfactants by LC/Q-TOF-MS

Accurate Mass Analysis of Hydraulic Fracturing Waters: Identification of Polyethylene Glycol Surfactants by LC/Q-TOF-MS Accurate Mass Analysis of Hydraulic Fracturing Waters: Identification of Polyethylene Glycol Surfactants by LC/Q-TOF-MS Application Note Authors E. Michael Thurman and Imma Ferrer Center for Environmental

More information

Rapid Screening and Confirmation of Melamine Residues in Milk and Its Products by Liquid Chromatography Tandem Mass Spectrometry

Rapid Screening and Confirmation of Melamine Residues in Milk and Its Products by Liquid Chromatography Tandem Mass Spectrometry Rapid Screening and Confirmation of Melamine Residues in Milk and Its Products by Liquid Chromatography Tandem Mass Spectrometry Application Note Food Authors Jianqiu Mi, Zhengxiang Zhang, Zhixu Zhang,

More information

Using TOF for Screening and Quantitation of Sudan Red Colorants in Food Application

Using TOF for Screening and Quantitation of Sudan Red Colorants in Food Application Using TOF for Screening and Quantitation of Sudan Red Colorants in Food Application Food Authors Yanyan Fang Agilent Technologies, Inc. 412 Ying Lun Road Pu Dong, Shanghai 200131 China Michael Zumwalt

More information

Identification and Quantitation of Pesticides in Chamomile and Ginger Extracts Using an Agilent 6460 Triple Quadrupole LC/MS system with Triggered MRM

Identification and Quantitation of Pesticides in Chamomile and Ginger Extracts Using an Agilent 6460 Triple Quadrupole LC/MS system with Triggered MRM Identification and Quantitation of Pesticides in Chamomile and Ginger Extracts Using an Agilent 646 Triple Quadrupole LC/MS system with Triggered MRM Application Note Authors Thomas Glauner Agilent Technologies,

More information

Fully automated QuEChERS clean-up and LC/MS-QQQ analysis of pesticides in fruits and vegetables.

Fully automated QuEChERS clean-up and LC/MS-QQQ analysis of pesticides in fruits and vegetables. Chromatography Technical Note No AS90 Fully automated QuEChERS clean-up and LC/MS-QQQ analysis of pesticides in fruits and vegetables. Paul H. Roberts, Anatune Ltd. Hardwick, Cambridgeshire, UK. Introduction

More information

Determination of EU-Banned Disperse Dyes by LC/MSD TOF Application

Determination of EU-Banned Disperse Dyes by LC/MSD TOF Application Determination of EU-Banned Disperse Dyes by LC/MSD TOF Application Environmental Authors Yanyan Fang Agilent Technologies, Inc. 412 Ying Lun Road Pu Dong, Shanghai 200131 China Ping Li Agilent Technologies,

More information

Accurate Mass Analysis of Hydraulic Fracturing Waters

Accurate Mass Analysis of Hydraulic Fracturing Waters Application Note Environmental Accurate Mass Analysis of Hydraulic Fracturing Waters Using the Kendrick mass defect with the Agilent LC/Q-TOF MS Authors E. Michael Thurman and Imma Ferrer Department of

More information

Anaylsis of Pesticide Residues in Rice Using Agilent Bond Elut QuEChERS AOAC Kit by LC-MS/MS Detection

Anaylsis of Pesticide Residues in Rice Using Agilent Bond Elut QuEChERS AOAC Kit by LC-MS/MS Detection Anaylsis of Pesticide Residues in Rice Using Agilent Bond Elut QuEChERS AOAC Kit by LC-MS/MS Detection Application Note Food Safety Author Andy Zhai Agilent technologies Co., Ltd. 412 Yinglun Road Shanghai,

More information

LC/Q-TOF Workflows for Comprehensive Micropollutant Analysis

LC/Q-TOF Workflows for Comprehensive Micropollutant Analysis LC/Q-TO Workflows for Comprehensive Micropollutant Analysis Targeted Quantification, Suspect Screening, and Unknown Compound Identification Application Note Environmental Authors Christoph Moschet and

More information

The Analysis of Organophosphate Pesticides by LC/MS Application

The Analysis of Organophosphate Pesticides by LC/MS Application The Analysis of Organophosphate Pesticides by LC/MS Application LC-MS Authors Paul Zavitsanos Agilent Technologies, Inc. 2850 Centerville Road Wilmington, DE 19808-1610 USA Paul Yang MOE Ontario Canada

More information

Macrolides in Honey Using Agilent Bond Elut Plexa SPE, Poroshell 120, and LC/MS/MS

Macrolides in Honey Using Agilent Bond Elut Plexa SPE, Poroshell 120, and LC/MS/MS Macrolides in Honey Using Agilent Bond Elut Plexa SPE, Poroshell 120, and LC/MS/MS Application Note Food Testing and Agriculture Author Chen-Hao (Andy) Zhai and Rong-jie Fu Agilent Technologies (Shanghai)

More information

LC/MS/MS of Fungicides and Metabolites in Orange Juice with Agilent Bond Elut Plexa and Poroshell 120

LC/MS/MS of Fungicides and Metabolites in Orange Juice with Agilent Bond Elut Plexa and Poroshell 120 LC/MS/MS of Fungicides and Metabolites in Orange Juice with Agilent Bond Elut Plexa and Poroshell 10 Application Note Food Testing & Agriculture Author Irina Dioumaeva Agilent Technologies, Inc. Abstract

More information

Determination of Pesticide Residues in Oats by Automated. QuEChERS and LC/QQQ. Application Note. Abstract. Introduction

Determination of Pesticide Residues in Oats by Automated. QuEChERS and LC/QQQ. Application Note. Abstract. Introduction Determination of Pesticide Residues in Oats by Automated QuEChERS and LC/QQQ Application Note Abstract The QuEChERS (Quick-Easy-Cheap-Effective-Rugged-Safe) sample extraction method was developed for the

More information

Application Note. Abstract. Authors. Food Safety and Environmental

Application Note. Abstract. Authors. Food Safety and Environmental Multi-Residue Pesticide Analysis with Dynamic Multiple Reaction Monitoring and Triple Quadrupole LC/MS/MS Fast and Effective Method Development Using an Application Kit and a Pesticides Compound Parameter

More information

Rapid Pesticide Screening and Identification Using the High Resolution All Ions MS/MS Technique

Rapid Pesticide Screening and Identification Using the High Resolution All Ions MS/MS Technique Rapid Pesticide Screening and Identification Using the High Resolution All Ions MS/MS Technique Application Note Food Safety Authors Bernhard Wüst and Thomas Glauner Agilent Technologies GmbH Waldbronn

More information

LC/MS/MS of Fungicides and Metabolites in Apple Juice with Agilent Bond Elut Plexa and Poroshell 120

LC/MS/MS of Fungicides and Metabolites in Apple Juice with Agilent Bond Elut Plexa and Poroshell 120 LC/MS/MS of Fungicides and Metabolites in Apple Juice with Agilent Bond Elut Plexa and Poroshell 120 Application Note Food Testing & Agriculture Author Irina Dioumaeva Agilent Technologies, Inc. Abstract

More information

Determination of Chlorinated Acid Herbicides in Soil by LC/MS/MS Application Note

Determination of Chlorinated Acid Herbicides in Soil by LC/MS/MS Application Note Determination of Chlorinated Acid Herbicides in Soil by LC/MS/MS Application Note Environmental Author Chin-Kai Meng Agilent Technologies 85 Centerville Road Wilmington, DE 988-6 USA Abstract Chlorinated

More information

Pesticides Analysis Using the Agilent 5977A Series GC/MSD

Pesticides Analysis Using the Agilent 5977A Series GC/MSD Pesticides Analysis Using the Agilent 5977A Series GC/MSD Application Note Food Testing and Agriculture Authors Jia-jia Wu and Wen-wen Wang Agilent Technologies Co. Ltd (China) Beijing, People s Republic

More information

Food & Environmental. Overview. Introduction. Method Details. André Schreiber and Yun Yun Zou SCIEX, Concord, Ontario, Canada

Food & Environmental. Overview. Introduction. Method Details. André Schreiber and Yun Yun Zou SCIEX, Concord, Ontario, Canada Food & Environmental Comprehensive Quantitation and Identification of Pesticides in Food Samples using LC-MS/MS with Scheduled MRM, Fast Polarity Switching, and MS/MS Library Searching André Schreiber

More information

Utility of H-SRM to Reduce Matrix Interference in Food Residue Analysis of Pesticides by LC-MS/MS Using the TSQ Quantum Discovery

Utility of H-SRM to Reduce Matrix Interference in Food Residue Analysis of Pesticides by LC-MS/MS Using the TSQ Quantum Discovery Application Note: 3 Utility of H-SRM to Reduce Matrix Interference in Food Residue Analysis of Pesticides by LC-MS/MS Using the TSQ Quantum Discovery Yoko Yamagishi, Thermo Fisher Scientific, C-2F 3-9

More information

Overview. Introduction

Overview. Introduction Comprehensive Quantitation and Identification of Pesticides in Food Samples Using the SCIEX UltraLC 100 and the SCIEX QTRAP 4500 System André Schreiber SCIEX, Concord, Ontario, Canada Overview Liquid Chromatography

More information

Comprehensive Pesticide Analysis in Juice Using a Combination of GC/MS and LC/MS Methods

Comprehensive Pesticide Analysis in Juice Using a Combination of GC/MS and LC/MS Methods Comprehensive Pesticide Analysis in Juice Using a Combination of GC/MS and LC/MS Methods Application Note Food Safety Authors Fadwa Al-Taher, Rima Juskelis, Yang Chen, Jack Cappozzo Institute for Food

More information

Thermo Scientific HyperSep Dispersive SPE Products. Efficient sample preparation and clean-up using the QuEChERS Method

Thermo Scientific HyperSep Dispersive SPE Products. Efficient sample preparation and clean-up using the QuEChERS Method Thermo Scientific HyperSep Dispersive SPE Products Efficient sample preparation and clean-up using the QuEChERS Method The QuEChERS method overcomes the problems associated with time consuming, expensive

More information

Ultra-fast screening of pesticides in foods and agricultural products with desorption corona beam ionization (DCBI) tandem mass spectrometry

Ultra-fast screening of pesticides in foods and agricultural products with desorption corona beam ionization (DCBI) tandem mass spectrometry PO-CON18E Ultra-fast screening of pesticides in foods and agricultural products with desorption corona beam ionization (DCBI) ASMS 21 TP 3 Jing Dong, Satoshi Yamaki, Yuki Hashi, Naoki Hamada Shimadzu China,

More information

Overview. Introduction. Method Details. André Schreiber and Yun Yun Zou AB SCIEX, Concord, Ontario, Canada

Overview. Introduction. Method Details. André Schreiber and Yun Yun Zou AB SCIEX, Concord, Ontario, Canada Comprehensive Quantitation and Identification of Pesticides in Food Samples using LC-MS/MS with Scheduled MRM, Fast Polarity Switching, and MS/MS Library Searching André Schreiber and Yun Yun Zou AB SCIEX,

More information

Agilent 6460 Triple Quadrupole LC/MS System with an Agilent 1290 Infinity LC For Multi-Plant Growth Regulator Analysis in Grapes

Agilent 6460 Triple Quadrupole LC/MS System with an Agilent 1290 Infinity LC For Multi-Plant Growth Regulator Analysis in Grapes Agilent 6460 Triple Quadrupole LC/MS System with an Agilent 1290 Infinity LC For Multi-Plant Growth Regulator Analysis in Grapes Application Note Food Safety Author Sunil Kulkarni Agilent Technologies

More information

Validation Report 18

Validation Report 18 EURL for Cereals and Feeding stuff National Food Institute Technical University of Denmark Validation Report 18 Determination of pesticide residues in maize for livestock feed by GC-MS/MS and LC-MS/MS

More information

Advanced Data Acquisition and Data Processing Workflows to Identify, Quantify and Confirm Pesticide Residues

Advanced Data Acquisition and Data Processing Workflows to Identify, Quantify and Confirm Pesticide Residues Advanced Data Acquisition and Data Processing Workflows to Identify, Quantify and Confirm Pesticide Residues André Schreiber 1 and Lauryn Bailey 2 1 AB SCIEX Concord, Ontario (Canada); 2 AB SCIEX Framingham,

More information

Journal of Chromatography A, 1067 (2005) Pesticide Residue Research Group, University of Almería, Almería, Spain

Journal of Chromatography A, 1067 (2005) Pesticide Residue Research Group, University of Almería, Almería, Spain Journal of Chromatography A, 1067 (2005) 127 134 Matching unknown empirical formulas to chemical structure using LC/MS TOF accurate mass and database searching: example of unknown pesticides on tomato

More information

László Tölgyesi LC/MS scientist EFSC Demo Group. International Symposium on Food Safety and Quality: Applications of Nuclear and Related Techniques

László Tölgyesi LC/MS scientist EFSC Demo Group. International Symposium on Food Safety and Quality: Applications of Nuclear and Related Techniques Minimizing matrix effects in multiresidue pesticide analysis using a new sensitivity-enhanced triple quadrupole instrument in combination with extensive sample dilution László Tölgyesi LC/MS scientist

More information

Multi-residue analysis of pesticides by GC-HRMS

Multi-residue analysis of pesticides by GC-HRMS An Executive Summary Multi-residue analysis of pesticides by GC-HRMS Dr. Hans Mol is senior scientist at RIKILT- Wageningen UR Introduction Regulatory authorities throughout the world set and enforce strict

More information

Highly Sensitive and Rugged GC/MS/MS Tool

Highly Sensitive and Rugged GC/MS/MS Tool Highly Sensitive and Rugged GC/MS/MS Tool For Pesticide Multiresidue Analysis in Food Samples Agilent 7 Series Triple Quadrupole GC/MS. The world s first MS/MS designed specifically for GC Analysis Introduction

More information

Almería 23 rd -25 th October th Joint Workshop of the European Union Reference Laboratories for Residues of Pesticides

Almería 23 rd -25 th October th Joint Workshop of the European Union Reference Laboratories for Residues of Pesticides Co-extracted matrix components of tomato. LC-TOF-MS Mass 1. Molecular weight of compounds 2. Number interfering compounds 3. Distribution of compounds Co-extracted matrix components LC-TOF-MS Mass Mass

More information

Screening Validation Report 1

Screening Validation Report 1 EURL for Cereals and Feeding stuff National Food Institute Technical University of Denmark Appendix 4 Screening Validation Report 1 Screening of pesticide residues in cereals by UPLC-TOF (QuEChERS method)

More information

LC/MS/MS Analysis of Pesticide Residues in Apples Using Agilent Chem Elut Cartridges

LC/MS/MS Analysis of Pesticide Residues in Apples Using Agilent Chem Elut Cartridges LC/MS/MS Analysis of Pesticide Residues in Apples Using Agilent Chem Elut Cartridges Application ote Food Testing & Agriculture Author Andy Zhai Agilent Technologies Shanghai Co. Ltd. Abstract This application

More information

Accurate Mass Measurement for Intact Proteins using ESI-oa-TOF. Application Note. Donghui Yi and Christine Miller Agilent Technologies

Accurate Mass Measurement for Intact Proteins using ESI-oa-TOF. Application Note. Donghui Yi and Christine Miller Agilent Technologies Accurate Mass Measurement for Intact Proteins using ESI-oa-TOF Application Note Donghui Yi and Christine Miller Jon D. Williams, GlaxoSmithKline Introduction Mass spectrometry (MS) has become a core technology

More information

High Sensitivity HPLC Analysis of Perchlorate in Tap Water Using an Agilent 6460 Triple Quadrupole LC/MS System

High Sensitivity HPLC Analysis of Perchlorate in Tap Water Using an Agilent 6460 Triple Quadrupole LC/MS System High Sensitivity HPLC Analysis of Perchlorate in Tap Water Using an Agilent 66 Triple Quadrupole LC/MS System Application Note Environmental Authors Don Noot, Matthew Noestheden, and Ralph Hindle Vogon

More information

The Quantitation and Identification of Coccidiostats in Food by LC-MS/MS using the AB SCIEX 4000 Q TRAP System

The Quantitation and Identification of Coccidiostats in Food by LC-MS/MS using the AB SCIEX 4000 Q TRAP System The Quantitation and Identification of Coccidiostats in Food by LC-MS/MS using the AB SCIEX 4000 Q TRAP System Bertram ieland 1 and Stephen Lock 2 1 AB SCIEX ieuwerkerk aan den Ijssel, The etherlands;

More information

Using UHPLC-Triple Quadrupole MS/MS to Detect the Presence of Bark Extract and Yohimbine Adulteration in Dietary Supplements and Botanicals

Using UHPLC-Triple Quadrupole MS/MS to Detect the Presence of Bark Extract and Yohimbine Adulteration in Dietary Supplements and Botanicals Using UHPLC-Triple Quadrupole MS/MS to Detect the Presence of Bark Extract and Adulteration in Dietary Supplements and Botanicals Application Note Food Testing & Agriculture Authors James Neal-Kababick

More information

All Ions MS/MS: Targeted Screening and Quantitation Using Agilent TOF and Q-TOF LC/MS Systems

All Ions MS/MS: Targeted Screening and Quantitation Using Agilent TOF and Q-TOF LC/MS Systems All Ions MS/MS: Targeted Screening and Quantitation Using Agilent TOF and Q-TOF LC/MS Systems Technical Overview Introduction All Ions MS/MS is a technique that is available for Agilent high resolution

More information

Charles Yang, Dipankar Ghosh, Jonathan Beck Thermo Fisher Scientific, San Jose, CA, USA

Charles Yang, Dipankar Ghosh, Jonathan Beck Thermo Fisher Scientific, San Jose, CA, USA Utilization of High Resolution LC-MS for Screening and Quantitative Analysis of Pesticides in Food Matrix using a Q Exactive Benchtop Orbitrap Platform Charles Yang, Dipankar Ghosh, Jonathan Beck Thermo

More information

Date ACCURATE-MASS DATABASE FOR SCREENING OF PESTICIDE RESIDUES IN FRUITS AND VEGETABLES BY GAS CHROMATOGRAPHY TIME-OF-FLIGHT MASS SPECTROMETRY

Date ACCURATE-MASS DATABASE FOR SCREENING OF PESTICIDE RESIDUES IN FRUITS AND VEGETABLES BY GAS CHROMATOGRAPHY TIME-OF-FLIGHT MASS SPECTROMETRY Date ACCURATE-MASS DATABASE FOR SCREENING OF PESTICIDE RESIDUES IN FRUITS AND VEGETABLES BY GAS CHROMATOGRAPHY TIME-OF-FLIGHT MASS SPECTROMETRY In practice, target analysis approach (analysing 1-4 of GC

More information

Application Note. Edgar Naegele. Abstract

Application Note. Edgar Naegele. Abstract Fast identification of main drug metabolites by quadrupole time-of-flight LC/MS Measuring accurate MS and MS/MS data with the Agilent 651 Q-TOF LC/MS and identification of main meta-bolites by comparison

More information

Analysis of Stachydrine in Leonurus japonicus Using an Agilent ZORBAX RRHD HILIC Plus Column with LC/ELSD and LC/MS/MS

Analysis of Stachydrine in Leonurus japonicus Using an Agilent ZORBAX RRHD HILIC Plus Column with LC/ELSD and LC/MS/MS Analysis of Stachydrine in Leonurus japonicus Using an Agilent ZORBAX RRHD HILIC Plus Column with LC/ELSD and LC/MS/MS Application Note Traditional Chinese Medicine Author Rongjie Fu Agilent Technologies

More information

MassHunter METLIN Metabolite PCD/PCDL Quick Start Guide

MassHunter METLIN Metabolite PCD/PCDL Quick Start Guide MassHunter METLIN Metabolite PCD/PCDL Quick Start Guide What is the MassHunter METLIN Metabolite PCD/PCDL? 2 Where to find more information 2 Kit Content 3 Installation 5 Before you start 5 Install MassHunter

More information

MS n Analysis With Fast Polarity Switching in the Agilent 1100 Series LC/MSD Trap SL. Application Note. Christine Miller Agilent Technologies

MS n Analysis With Fast Polarity Switching in the Agilent 1100 Series LC/MSD Trap SL. Application Note. Christine Miller Agilent Technologies MS n Analysis With Fast Polarity Switching in the Agilent Series LC/MSD Trap SL Application Note Christine Miller Introduction During mass spectrometric analysis, many compounds respond better to a particular

More information

Tyler Trent, Applications Sales Specialist, Teledyne Tekmar P a g e 1

Tyler Trent, Applications Sales Specialist, Teledyne Tekmar P a g e 1 Application Note AutoMate-Q40 Automated QuEChERS Extraction for Pesticide Residues in Botanicals Tyler Trent, Applications Sales Specialist, Teledyne Tekmar P a g e 1 Abstract QuEChERS is a Quick-Easy-Cheap-

More information

Validation Report 8 Determination of pesticide residues in rice and wheat by GC-MS/MS and LC-MS/MS (QuEChERS method) Appendix 2

Validation Report 8 Determination of pesticide residues in rice and wheat by GC-MS/MS and LC-MS/MS (QuEChERS method) Appendix 2 EURL for Cereals and Feeding stuff National Food Institute Technical University of Denmark Validation Report 8 Determination of pesticide residues in rice and wheat by GC-MS/MS and LC-MS/MS (QuEChERS method)

More information

Application Note. Abstract. Authors. Environmental

Application Note. Abstract. Authors. Environmental Determination of Acidic Herbicides using an Agilent 6460 Triple Quadrupole LC/MS Equipped with Agilent Jet Stream Technology and Direct Aqueous Injection, for Potable and Environmental Samples Application

More information

Analysis of Low-Calorie Sweeteners by Liquid Chromatography-Tandem Mass Spectrometry

Analysis of Low-Calorie Sweeteners by Liquid Chromatography-Tandem Mass Spectrometry Analysis of Low-Calorie Sweeteners by Liquid Chromatography-Tandem Mass Spectrometry Application Note Food safety Authors Ismael Flores and Carlos Sepulveda Agrolab México Km 7 Carretera Pachuca-Actopan

More information

Overview. Introduction. André Schreiber 1 and Yun Yun Zou 1 1 AB SCIEX, Concord, Ontario, Canada

Overview. Introduction. André Schreiber 1 and Yun Yun Zou 1 1 AB SCIEX, Concord, Ontario, Canada LC-MS/MS Based Strategy for the Non-Targeted Screening of an Unlimited Number of Contaminants in Food Using the AB SCIEX TripleTOF 5600 System and Advanced Software Tools André Schreiber 1 and Yun Yun

More information

Applying MRM Spectrum Mode and Library Searching for Enhanced Reporting Confidence in Routine Pesticide Residue Analysis

Applying MRM Spectrum Mode and Library Searching for Enhanced Reporting Confidence in Routine Pesticide Residue Analysis PO-CON1768E Applying MRM Spectrum Mode and Library Searching for Enhanced Reporting Confidence in Routine Pesticide ASMS 2017 TP-194 David Baker 1, Christopher Titman 1, Neil Loftus 1, Jonathan Horner

More information

LC-MS/MS multiresidue method used for pesticides analysis in fruits and vegetables

LC-MS/MS multiresidue method used for pesticides analysis in fruits and vegetables LC-MS/MS multiresidue method used for pesticides analysis in fruits and vegetables 1st International Symposium on Recent Advances in Food Analysis 5-7 ovember 2003, Prague Didier RTELLI, Patrick EDDER,

More information

Routine Multiresidue Pesticide Analysis using the Agilent 6470 Triple Quadrupole Mass Spectrometer

Routine Multiresidue Pesticide Analysis using the Agilent 6470 Triple Quadrupole Mass Spectrometer Routine Multiresidue Pesticide Analysis using the Agilent 6470 Triple Quadrupole Mass Spectrometer Application Note Food safety Authors Mark Sartain and Anabel Fandino Agilent Technologies, Inc. Santa

More information

Determination of Hormones in Drinking Water by LC/MS/MS Using an Agilent InfinityLab Poroshell HPH Column (EPA 539)

Determination of Hormones in Drinking Water by LC/MS/MS Using an Agilent InfinityLab Poroshell HPH Column (EPA 539) Determination of ormones in Drinking Water by LC/MS/MS Using an Agilent InfinityLab Poroshell P Column (EPA 539) Application Note Environmental Authors Rong-jie Fu and Chen-ao (Andy) Zhai Agilent Technologies

More information

Analysis of pesticide residues using various GC/MS systems. Radim Štěpán Czech Agriculture and Food Inspection Authority Prague, Czech Republic

Analysis of pesticide residues using various GC/MS systems. Radim Štěpán Czech Agriculture and Food Inspection Authority Prague, Czech Republic Analysis of pesticide residues using various GC/MS systems Radim Štěpán Czech Agriculture and Food Inspection Authority Prague, Czech Republic OUTLINE Czech Agriculture and Food Inspection Authority (CAFIA)

More information

EPA Method 535: Detection of Degradates of Chloroacetanilides and other Acetamide Herbicides in Water by LC/MS/MS

EPA Method 535: Detection of Degradates of Chloroacetanilides and other Acetamide Herbicides in Water by LC/MS/MS Application Note EPA Method 535 EPA Method 535: Detection of Degradates of Chloroacetanilides and other Acetamide Herbicides in Water by LC/MS/MS API 3200 LC/MS/MS System Overview Described here is the

More information

Multi-residue GC-MS analysis. Richard Fussell CSL York, UK

Multi-residue GC-MS analysis. Richard Fussell CSL York, UK Multi-residue GC-MS analysis Richard Fussell CSL York, UK e-mail: r.fussell@csl.gov.uk Outline of Presentation Background Gas Chromatography Mass Spectrometry - Options Capabilities and Applications Summary

More information

Aminoglycosides in Milk Using Agilent Bond Elut Plexa SPE, Agilent Poroshell 120, and LC/Tandem MS

Aminoglycosides in Milk Using Agilent Bond Elut Plexa SPE, Agilent Poroshell 120, and LC/Tandem MS Aminoglycosides in Milk Using Agilent Bond Elut Plexa SPE, Agilent Poroshell 120, and LC/Tandem MS Application ote Food Testing & Agriculture Author Andy Zhai Agilent Technologies, Inc. Shanghai Co. Ltd.

More information

Validation of a Simple and Rapid Multiresidue Method (QuEChERS) and its Implementation in Routine Pesticide Analysis

Validation of a Simple and Rapid Multiresidue Method (QuEChERS) and its Implementation in Routine Pesticide Analysis Validation of a Simple and Rapid Multiresidue Method (QuEChERS) and its Implementation in Routine Pesticide Analysis Michelangelo Anastassiades, Ellen Scherbaum and Dorothea Bertsch Chemisches und Veterinäruntersuchungsamt

More information

Application Note. Gas Chromatography/Mass Spectrometry/Food Safety. Abstract. Authors

Application Note. Gas Chromatography/Mass Spectrometry/Food Safety. Abstract. Authors Trace-Level Analysis of Melamine in Milk Products on Agilent 789A/5975C GC/MSD Using a ew Agilent J&W DB-5ms Ultra Inert Column and SampliQ SCX Cartridges Application ote Gas Chromatography/Mass Spectrometry/Food

More information

Quantitative Analysis of Water-Soluble B-Vitamins in Cereal Using Rapid Resolution LC/MS/MS. Application. Authors. Abstract.

Quantitative Analysis of Water-Soluble B-Vitamins in Cereal Using Rapid Resolution LC/MS/MS. Application. Authors. Abstract. Quantitative Analysis of Water-Soluble B-Vitamins in Cereal Using Rapid Resolution LC/MS/MS Application Food Analysis Authors Sheher Mohsin Agilent Technologies, Inc. Schaumburg, Il USA Michael Zumwalt

More information

EPA Method 535: Detection of Degradates of Chloroacetanilides and other Acetamide Herbicides in Water by LC/MS/MS

EPA Method 535: Detection of Degradates of Chloroacetanilides and other Acetamide Herbicides in Water by LC/MS/MS EPA Method 535: Detection of Degradates of Chloroacetanilides and other Acetamide Herbicides in Water by LC/MS/MS Christopher Borton AB SCIEX Golden, Colorado verview Described here is the analysis of

More information

IMPROVING PESTICIDE RESIDUE DETECTION PROTOCOL FOR FRUIT

IMPROVING PESTICIDE RESIDUE DETECTION PROTOCOL FOR FRUIT IMPROVING PESTICIDE RESIDUE DETECTION PROTOCOL FOR FRUIT Su Myeong Hong National Academy of Agricultural Science, Rural Development Administration (RDA), Wanju, Korea e-mail: wideyun@korea.kr ABSTRACT

More information

Safeguarding Food from Pesticides by UHPLC After Extraction with the QuEChERS Method

Safeguarding Food from Pesticides by UHPLC After Extraction with the QuEChERS Method application Note Liquid Chromatography Authors Roberto Troiano Valentina Scanzani PerkinElmer, Italia S.p.A. Monza, Italy Safeguarding Food from s by UHPLC After Extraction with the QuEChERS Method Introduction

More information

Validation Report 3 Determination of pesticide residues in cereals by GC-MS/MS (QuEChERS method)

Validation Report 3 Determination of pesticide residues in cereals by GC-MS/MS (QuEChERS method) CRL for Cereals and Feeding stuff National Food Institute Technical University of Denmark Validation Report 3 Determination of pesticide residues in cereals by GC-MS/MS (QuEChERS method) Susan Strange

More information

Pure Chromatography. Food Safety Applications. Abstract. Introduction

Pure Chromatography. Food Safety Applications.  Abstract. Introduction Food Safety Applications Mitigating Matrix Effects: Examination of Dilution, QuEChERS, and Calibration Strategies for LC-MS/MS Analysis of Pesticide Residues in Diverse Food Types Abstract By Julie Kowalski,

More information

LC/MS/MS qua ntitation of β-estradiol 17-acetate using an Agilent 6460 Triple Quadrupole LC/MS working in ESI negative ion mode

LC/MS/MS qua ntitation of β-estradiol 17-acetate using an Agilent 6460 Triple Quadrupole LC/MS working in ESI negative ion mode LC/MS/MS qua ntitation of β-estradiol 17-acetate using an Agilent 6460 Triple Quadrupole LC/MS working in ESI negative ion mode Application Note Authors Siji Joseph Agilent Technologies India Pvt. Ltd.

More information

LC-HRMS: Challenges for Routine Implementation

LC-HRMS: Challenges for Routine Implementation Joint EURL pesticides meeting October 23 rd -25th, 2013 Almeria Spain LC-HRMS: Challenges for Routine Implementation Richard J. Fussell Food and Environment Research Agency (York, UK) www.fera.defra.gov.uk

More information

Making Sense of Differences in LCMS Data: Integrated Tools

Making Sense of Differences in LCMS Data: Integrated Tools Making Sense of Differences in LCMS Data: Integrated Tools David A. Weil Agilent Technologies MassHunter Overview Page 1 March 2008 How Clean is our Water?... Page 2 Chemical Residue Analysis.... From

More information

Analysis of Pesticides in Baby Foods Using a Triple-Quadrupole GC/MS/MS

Analysis of Pesticides in Baby Foods Using a Triple-Quadrupole GC/MS/MS PO-CONE Analysis of Pesticides in Baby Foods Using a Pittcon 01 -P Laura Chambers, Richard Whitney, Ph.D., Nicole M. Lock, Zhuangzhi Max Wang, Ph.D., Clifford M. Taylor; Shimadzu Scientific Instruments,

More information

Triumphs and Challenges of High-Resolution Mass Spectrometry in Comprehensive Residue Screens

Triumphs and Challenges of High-Resolution Mass Spectrometry in Comprehensive Residue Screens Triumphs and Challenges of High-Resolution Mass Spectrometry in Comprehensive Residue Screens Florida Department of Agriculture Mark Crosswhite, Ph.D. outline ur Goal identify and quantify quickly and

More information

Analytical considerations on the use of a fruit-specific and representative matrix in pesticide residue analysis by LC-ESI-MS/MS

Analytical considerations on the use of a fruit-specific and representative matrix in pesticide residue analysis by LC-ESI-MS/MS Cent. Eur. J. Chem. 11(7) 2013 1112-1131 DOI: 10.2478/s11532-013-0247-y Central European Journal of Chemistry Analytical considerations on the use of a fruit-specific and representative matrix in pesticide

More information

Agilent s New Weak Anion Exchange (WAX) Solid Phase Extraction Cartridges: SampliQ WAX

Agilent s New Weak Anion Exchange (WAX) Solid Phase Extraction Cartridges: SampliQ WAX Agilent s New Weak Anion Exchange (WAX) Solid Phase Extraction Cartridges: SampliQ WAX Technical Note Agilent s SampliQ WAX provides Applications for strongly acidic, acidic and neutral compounds Excellent

More information

Amphetamines, Phentermine, and Designer Stimulant Quantitation Using an Agilent 6430 LC/MS/MS

Amphetamines, Phentermine, and Designer Stimulant Quantitation Using an Agilent 6430 LC/MS/MS Amphetamines, Phentermine, and Designer Stimulant Quantitation Using an Agilent 643 LC/MS/MS Application Note Forensic Toxicology Authors Jason Hudson, Ph.D., James Hutchings, Ph.D., and Rebecca Wagner,

More information

Analysis of Biomarkers in Crude Oil Using the Agilent 7200 GC/Q-TOF

Analysis of Biomarkers in Crude Oil Using the Agilent 7200 GC/Q-TOF Analysis of Biomarkers in Crude Oil Using the Agilent 7 GC/Q-TOF Application Note Petrochemical and Environmental Authors Frank David Research Institute for Chromatography, Kennedypark 6, B-85 Kortrijk,

More information

PesticideScreener. Innovation with Integrity. Comprehensive Pesticide Screening and Quantitation UHR-TOF MS

PesticideScreener. Innovation with Integrity. Comprehensive Pesticide Screening and Quantitation UHR-TOF MS PesticideScreener Comprehensive Pesticide Screening and Quantitation Innovation with Integrity UHR-TOF MS The Challenge of Comprehensive Pesticide Residue Analysis The use of pesticides to reduce crop

More information

Quantification of growth promoters olaquindox and carbadox in animal feedstuff with the Agilent 1260 Infinity Binary LC system with UV detection

Quantification of growth promoters olaquindox and carbadox in animal feedstuff with the Agilent 1260 Infinity Binary LC system with UV detection Quantification of growth promoters olaquindox and carbadox in animal feedstuff with the Agilent 126 Infinity Binary LC system with UV detection Application Note Food Author Srividya Kailasam Agilent Technologies,

More information

Almería 23 rd -25 th October th Joint Workshop of the European Union Reference Laboratories for Residues of Pesticides

Almería 23 rd -25 th October th Joint Workshop of the European Union Reference Laboratories for Residues of Pesticides General European Commission Proficiency Test Scheme EURL-FV Scientific Group Samples and Protocol INFORMATION EUPT Web Page Data Analysis Reports 1 2 3 4 5 ACTIVITY DATE Publishing the Calendar and Matrix

More information

Screening and Quantitation of 240 Pesticides in Difficult Food Matrixes Using the Agilent 6545 Q-TOF LC/MS System

Screening and Quantitation of 240 Pesticides in Difficult Food Matrixes Using the Agilent 6545 Q-TOF LC/MS System Screening and Quantitation of 24 Pesticides in Difficult Food Matrixes Using the Agilent 6545 Q-TOF LC/MS System Application Note Authors Dan-Hui Dorothy Yang, Christian Klein, Crystal Cody, and Huy Bui

More information

Application Note. David A. Weil Zoltan Timar Michael Zumwalt Edgar Naegele. Abstract

Application Note. David A. Weil Zoltan Timar Michael Zumwalt Edgar Naegele. Abstract Detection and identification of impurities in pharmaceutical drugs Computer-assisted extraction, profiling and analysis of Q-TF data for determination of impurities using Agilent Massunter software Application

More information

Analysis of Pesticides in Citrus Oil Using a Shimadzu GCMS-TQ8030. No. GCMS No. SSI-GCMS-1404

Analysis of Pesticides in Citrus Oil Using a Shimadzu GCMS-TQ8030. No. GCMS No. SSI-GCMS-1404 Gas Chromatograph Mass Spectrometer No. GCMS-1404 Analysis of Pesticides in Citrus Oil Using a Shimadzu GCMS-TQ8030 Introduction Contamination of consumer products with pesticides is a growing concern

More information

Application Note LCMS-110 Development of a Targeted Quantitative LC-MS/MS Method for 431 Positive and Negative Ion Pesticides in a Single Analysis

Application Note LCMS-110 Development of a Targeted Quantitative LC-MS/MS Method for 431 Positive and Negative Ion Pesticides in a Single Analysis Application Note LCMS-110 Development of a Targeted Quantitative LC-MS/MS Method for 431 Positive and Negative Ion Pesticides in a Single Analysis Abstract A rapid, targeted quantitative UHPLC-triple quadrupole

More information

Analytical determination of testosterone in human serum using an Agilent Ultivo Triple Quadrupole LC/MS

Analytical determination of testosterone in human serum using an Agilent Ultivo Triple Quadrupole LC/MS Application Note Clinical Research Analytical determination of testosterone in human serum using an Agilent Ultivo Triple Quadrupole LC/MS Authors Yanan Yang 1, Victor Mandragon 2, and Peter Stone 1 1

More information

Determination of Pharmaceuticals in Water by SPE and LC/MS/MS in Both Positive and Negative Ion Modes Application

Determination of Pharmaceuticals in Water by SPE and LC/MS/MS in Both Positive and Negative Ion Modes Application Determination of Pharmaceuticals in Water by SPE and LC/MS/MS in Both Positive and Negative Ion Modes Application Environmental Authors Chin-Kai Meng Agilent Technologies, Inc. 85 Centerville Road Wilmington,

More information

Analysis of Illegal Dyes in Food Matrices using Automated Online Sample Preparation with LC/MS

Analysis of Illegal Dyes in Food Matrices using Automated Online Sample Preparation with LC/MS Application Note: 56 Analysis of Illegal Dyes in Food Matrices using Automated Online Sample Preparation with LC/MS Yang Shi, Catherine Lafontaine, Matthew Berube, John Fink, François Espourteille Thermo

More information

Separation of Explosives in EPA 8330: Column Choices Optimize Speed, Resolution, and Solvent Use. Application. Authors. Abstract.

Separation of Explosives in EPA 8330: Column Choices Optimize Speed, Resolution, and Solvent Use. Application. Authors. Abstract. Separation of Explosives in EPA 833: Column Choices Optimize Speed, Resolution, and Solvent Use Application Environmental Authors John W. Henderson Jr. and William J. Long Agilent Technologies, Inc. 28

More information

Analysis of Pesticides and Contaminants using HS-SPME-GC/MS and DRS Detection. Blair Surridge, Tyler Dyer, Rene Bilideau, Paloma Bertolin Presoti

Analysis of Pesticides and Contaminants using HS-SPME-GC/MS and DRS Detection. Blair Surridge, Tyler Dyer, Rene Bilideau, Paloma Bertolin Presoti Analysis of Pesticides and Contaminants using HS-SPME-GC/MS and DRS Detection Blair Surridge, Tyler Dyer, Rene Bilideau, Paloma Bertolin Presoti Applied Research at Camosun College Provides funding to

More information

Sensitive Femtogram Determination of Aflatoxins B 1 , B 2 , G 1. and G 2. in Food Matrices using Triple Quadrupole LC/MS. Authors.

Sensitive Femtogram Determination of Aflatoxins B 1 , B 2 , G 1. and G 2. in Food Matrices using Triple Quadrupole LC/MS. Authors. Sensitive Femtogram Determination of Aflatoxins B 1, B 2, G 1 and G 2 in Food Matrices using Triple Quadrupole LC/MS Application Note Food Safety Authors Yang Chen and Jack Cappozzo National Center for

More information

MassHunter TOF/QTOF Users Meeting

MassHunter TOF/QTOF Users Meeting MassHunter TOF/QTOF Users Meeting 1 Qualitative Analysis Workflows Workflows in Qualitative Analysis allow the user to only see and work with the areas and dialog boxes they need for their specific tasks

More information

Validation Data for the Analysis of 1-Napthylacetic acid and 1-Naphtylacetamide in tomato and zucchini Using Mini-Luke, Ethyl Acetate and QuEChERS methods Followed by LC-QqQ-MS/MS UNIVERSITY OF ALMERIA

More information

Identifying Pesticides with Full Scan, SIM, µecd, and FPD from a Single Injection Application

Identifying Pesticides with Full Scan, SIM, µecd, and FPD from a Single Injection Application Identifying Pesticides with Full Scan, SIM, µecd, and FPD from a Single Injection Application Food Safety, Environmental Authors Chin-Kai Meng and Bruce Quimby Agilent Technologies, Inc. 2850 Centerville

More information