Mass Spec Results In Seconds With Direct Sample …€¢ Insecticide on Mosquito Nets ... •...

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MASS SPEC RESULTSIN SECONDS WITHDIRECT SAMPLE ANALYSIS

AxION DSA System A Reference Notebook of DSA Applications—Second Edition, 2013

2www.perkinelmer.com/DSA

REVOLUTIONIZE YOUR MASS SPECWORKFLOW Going from sample to results can often be complex

and time-consuming. That is why PerkinElmer has introduced a unique solution: the AxION® DSA (Direct

Sample Analysis) system. Nothing simplifies workflows more than AxION DSA. Diminish cumbersome method development, eliminate chromatography and dramatically reduce sample preparation.

RESULTS IN SECONDSThe innovative AxION DSA technology was developed for the rapid direct analysis of solid, liquid or gaseous samples. It offers a novel alternative to standard chromatographically interfaced solutions. Laboratories can now screen, compare and confirm virtually any sample, by introducing it directly to a mass spectrometer in a matter of seconds.

• No chromatography required.

• Avoid time consuming method development.

• Minimal sample preparation.

This reference notebook of direct sample analyses, highlights the performance characteristics of the AxION DSA. It features a diverse selection of applications, sample types and results across a broad array of industries.

The AxION DSA system will change the way you work by providing results-driven decisions in seconds.

Index of Applications

• Atrazine in Water ................................................................................................................................................................22

• Carbamates in River Water ..................................................................................................................................................23

• Insecticide on Mosquito Nets ..............................................................................................................................................24

• Personal Care Products in River Water .................................................................................................................................25

ENVIRONMENTAL

• Bisphenol A in plastic ..........................................................................................................................................................26

• Ferulic Acid in Skin Oil .........................................................................................................................................................27

• Fullerene C-60 .....................................................................................................................................................................28

• Limonene in Orange Peel ....................................................................................................................................................29

• Methylparaben in Hair Gel ..................................................................................................................................................30

• Paraben Screening in Texture Cream ...................................................................................................................................31

• Parabens in Lipstick .............................................................................................................................................................32

• Parabens in Lotions .............................................................................................................................................................33

• Salicylic Acid in Foundation .................................................................................................................................................34

CHEMICAL

FOOD AND BEVERAGE• Caffeine in Decaffeinated Coffee ..........................................................................................................................................5

• Caffeine in Green Teas ..........................................................................................................................................................6

• Capsaicin and Dihydrocapsaicin in Peppers ...........................................................................................................................7

• Curcumins in Turmeric Powder ..............................................................................................................................................8

• DEHP in Mango Juice ............................................................................................................................................................9

• Fungicide on Apple Peel ......................................................................................................................................................10

• Fungicide on Lemon Peel .................................................................................................................................................... 11

• Fungicides on Oranges ........................................................................................................................................................ 12

• Malathion on Peaches ......................................................................................................................................................... 13

• Melatonin in Lazy Cake® .....................................................................................................................................................14

• Natural Vanilla Extract ......................................................................................................................................................... 15

• Olive Oil Adulteration ..........................................................................................................................................................16

• Pomegranate Juice Adulteration ......................................................................................................................................... 17

• Propanethiol S-oxide in Onions ...........................................................................................................................................18

• Resveratrol in Red Wine ......................................................................................................................................................19

• Sterols in Olive Oil ...............................................................................................................................................................20

• Sweeteners in Diet Cola ......................................................................................................................................................21

Index of Applications

• Components of Multivitamin Powder .................................................................................................................................. 41

• Aerosols/Inalers ...................................................................................................................................................... 42

• Components of Panadol® Extra ............................................................................................................................... 43

• Components of Panadol® Sinus Max ........................................................................................................................44

• Paracetamol Tablets ................................................................................................................................................ 45

NUTRACEUTICAL

PHARMACEUTICAL

FORENSICS• Cathinones in Bath Salts .....................................................................................................................................................35

• CID of Cathinone Standards ................................................................................................................................................36

• Date Rape Drug in Cola .......................................................................................................................................................37

• Ethyl Centralite ....................................................................................................................................................................38

• Nitroglycerin .......................................................................................................................................................................39

• Testosterone in Steroid Powder ...........................................................................................................................................40

TOF MS

DIRECT SAMPLE ANALYSIS

Easy to use

Product integrity

No chromatography

• Caffeineisanaturalstimulantinteaandcoffee

• Decaffeinatedcoffeeofferspeoplethechoicetoavoidcaffeineorreducetheircaffeineintake

• DSA/TOFanalysisofdecaffeinatedcoffeeconfirmedcaffeinewasstillpresentwithhighaccuratemass

• Analysiswasperformedin15seconds;confirmedproductcontaminationwithnosamplepreparationandexternalcalibration

Food and Beverage: Caffeine in Decaffeinated Coffee

TOF MS

Rapid analysis

Comparison of products

No method development

Food and Beverage: Caffeine in Green Teas

• Caffeineisanaturalstimulantenjoyedbymanyinteaandcoffee

• RapidscreeningofdifferentgreenteasbyDSA/TOFenableseasyproductcomparisons

• Analysiswasperformedin15secondswithnosamplepreparationandexternalcalibration

TOF MS

No sample preparation

Easy to use

Semi-quantitative

• Capsaicinanddihydrocapsaicinarethecompoundsresponsibleforpepperhotness

• 1cm3piecesofcubanelle,chilli,andjalapeñopeppersweredirectlyanalyzed

• Thesignalintensitiesprovidedtherelativeamountsofcapsaicinanddihydrocapsaicininthepeppers

Food and Beverage: Capsaicin and Dihydrocapsaicin in Peppers

TOF MS

Easy to use

Complete characterization

• Curcuminsaretheactiveingredientinturmericpowderusedforfoodflavoring,dyeing,andpossiblemedicalbenefits

• Turmericpowderwasdirectlyanalyzedinaglasscapillary

• DSA/TOFanalysisofturmericpowderdetectsall3curcuminoidswithhighmassaccuracy

Food and Beverage: Curcumins in Turmeric Powder

TOF MS

Food and Beverage: DEHP in Mango Juice

Results in seconds

Assures food safety

• Bis-(2-Ethylhexyl)Phthalate(DEHP),bannedbytheEU,hasbeenusedasacheaperalternativecloudingagenttoimprovetheappearanceoffruitjuice

• DEHPhasbeenaddedillegallytoexoticfruitjuices,suchasmangoandpassionfruit.Themaximumallowablelimitforphthalatesinfruitjuiceis1ppm

• PresenceofDEHPat1ppmwasconfirmedin15secondswithnosamplepreparation,chromatographyorexternalcalibration

TOF MS

Easy to use

Fast accurate mass

Assures food safety

• Thiabendazoleisacommoningredientinthewaxesappliedtotheskinsofcitrusfruitsandisalsoafungicideusedtoprotectharvestyields

• ResidualthiabendazolewasconfirmedusingDSA/TOFwithhighmassaccuracy

• Analysisperformedin15secondswithnosamplepreparationandexternalcalibration

Food and Beverage: Fungicide on Apple Peel

TOF MS

Outstanding sensitivity

Fast accurate mass

Assures food safety

• Pesticidessuchasimazalilareoftenusedtoprotectfruitsandvegetablesfrominsects

• Awashed1cm3pieceoflemonpeelwasextractedwithmethanolandanalyzed

• Residualimazalilwasconfirmedwithhighmassaccuracy

• Analysiswasperformedin15secondswithminimalsamplepreparationandexternalcalibration

Food and Beverage: Fungicide on Lemon Peel

TOF MS

Easy to use

Assures food safety

• Tracesoffungicidesonourfoodposeapotentialrisktohumanhealth

• Swabbingwithmethanolfromanorangeboughtatagrocerystorewasanalyzed

• DSA/TOFanalysisdetectedthepresenceoftwofungicidesontheorangeskin

Food and Beverage: Fungicides on Oranges

TOF MS

Easy to use

Low detection limits

Fast, accurate mass

• Malathionisacommonlyusedinsecticide.TheEPAtolerancelevelformalathiononpeachesis8000ng/g

• Apeachsurfacewasspikedwith10ng/gmalathion,thenswabbedwithmethanolandanalyzed

• DSA/TOFanalysisoftheswabsampleconfirmedmalathion,withhighmassaccuracy,at800timeslowerthantheEPAtolerancelevel

Food and Beverage: Malathion on Peaches

TOF MS

Confirms active ingredient

Rapid analysis

• LazyCakes®,marketedas“relaxationbrownies”arelacedwiththesleepaidmelatonin

• Packagingiskid-friendlyandchildrenhaveeatenthemandfallenasleep

• Apieceofcakewasanalyzedtodeterminetheingredientthatwascausingsleepiness

• Directanalysisconfirmstheactiveingredientmelatoninwithhighmassaccuracy

Food and Beverage: Melatonin in Lazy Cake®

DIRECT SAMPLE ANALYSISTOF MS

Results in seconds

Easy to use

Assures product authenticity

Food and Beverage: Natural Vanilla Extract

• Thepriceofnaturalvanillaextractisupto5timesmoreexpensivethanartificialvanillaflavoring

• 4-hydroxbenzaldehydecanbeusedasamarkerionasitispresentinnaturalvanillaextractbutnotinartificialvanillaflavorings

• DSA/TOFanalysis,performedin15seconds,rapidlyconfirmsproductauthenticitywithnosamplepreparationandexternalcalibration

TOF MS

Results in seconds

No chromatography

Food and Beverage: Olive Oil Adulteration

• Oliveoilisonethemostadulteratedfoodproductsinworld.Itis4-5timesmoreexpensivethansoybasedvegetableoil

• Ratiooflinoleicacidtooleicacidresponsecanbeusedasawaytodetectadulterationofoliveoil

Adulterated Olive Oil with Soy Based Oil.

Olive Oil

TOF MS

Results in seconds

Food and Beverage: Pomegranate Juice Adulteration

• Pomegranatejuiceisapproximately5timesmoreexpensivethangrapejuice,acommonadulterant.

• Tartaricacid,presentingrapejuiceandabsentinpomegranatejuicecanbeusedasamarkertodetectadulterationofpomegranatejuice

• Successfulmeasurementoflevelsaslowas1%grapejuiceinpomegranatejuice

TOF MS

Easy to use

Fast, accurate mass

• PropanethiolS-oxideinonionsisknowntocausetheeye’stotear(whencuttingtheonion)

• 1cm3pieceofonionwasdirectlyanalyzed

• Withnosamplepreparation,DSA/TOFanalysisoftheonionsampledetectedPropanethiolS-oxidewithhighmassaccuracy

Food and Beverage: Propanethiol S-oxide in Onions

TOF MS

Easy to use

Increased sensitivity

Rapid analysis

• Resveratrolisnaturallyoccurringpolyphenolpresentingrapeskinandseeds

• Itisanantioxidantthoughttobepresentinhigherlevelsinredwineandlinkedtomanyhealthbenefits

• DSA/TOFanalysisinTrapPulse™modeof1µLofredwine(onamesh)providestherequiredsensitivityfordetectionandconfirmationofresveratrol

Food and Beverage: Resveratrol in Red Wine

TOF MS

Easy to use

Comparison of products

Rapid analysis

• Somesterolsinoliveoilarethoughttodecreasebloodcholesterol

• Saponifiedoliveoilwasdirectlyanalyzedforsterols

• DSA/TOFanalysisdetectsthebeneficialsterolsinoliveoilwithminimalsamplepreparation

• Oliveoilscanrapidlybecomparedfordetectionofbeneficialsterols

Food and Beverage: Sterols in Olive Oil

TOF MS

Easy to use

Component analysis

• Artificialsweetenersareoftenusedindietcola

• Sweetenersindietcolawasdirectlyanalyzedwithoutanysamplepreparation

• DSA/TOFanalysisconfirmssweetenersusedindietcolaaswellasotheradditiveswithaccuratemass

Food and Beverage: Sweeteners in Diet Cola

TOF MS

Environmental: Atrazine in Water

Results in seconds

Increased sensitivity

Confirms water safety

• Thepesticideatrazineisacontaminantofsurfaceanddrinkingwater

• Themaximumlevelofatrazineinwaterhasbeensetas0.003mg/L

• UseofTrapPulse™modeincreasessensitivity8foldandgivesgreatermassaccuracy

• DSA/TOFanalysisof2µLofwateronameshconfirmspresenceofatrazinewithamassaccuracy<1ppm

TOF MS

Environmental: Carbamates in River Water

No complex method development

Fast, accurate mass

Ensures water quality

• Carbamatesareknowncontaminantsofriverwater,EPAmaximumconcentrationof10ug/L

• ExistingprotocolsrequirelengthySPEworkupfollowedbyLC,LC/MSorGC/MSanalysis

• 10ppbspikedriversamplessimplyfilteredandpipettedontoamesh

• DSA/TOFanalysisconfirmspresenceofcarbamates,withhighmassaccuracy

TOF MS

Environmental: Insecticide on Mosquito Nets

Results in seconds

Protects consumers

• DeltamethrinisaWHOapprovedinsecticidefortreatmentofmosquitonets

• Treatednetscommandahigherpricebutsomesuppliersomittheinsecticide

• ExistingprotocolsrequireextractionfollowedbyHPLCorGC/MSanalysis

• DSA/TOFanalysisofanetsectionconfirmspresenceofdeltamethrinattherequiredleveltobeeffective

TOF MS

No complex method development

Comprehensive analysis

Ensures water quality

• Personalcareproductsposearisingconcernasacontaminantinpostwatertreatmentriverwaters

• ExistingprotocolsrequirelengthySPEworkupfollowedbyLC,LC/MSorGC/MSanalysis

• 10ppbspikedriversamplessimplyfiltered,10mMammoniumformateadded,andpipettedontoamesh

• DSA/TOFanalysisconfirmspresenceofpersonalcareproductsandpesticides,withhighmassaccuracy

Environmental: Personal Care Products in River Water

TOF MS

Chemical: Bisphenol A in Plastic

Easy-to-use

No sample prep or chromatography

Protects consumers

• BisphenolA(BPA)isusedalongwithothermaterialstomakeplastics.Itischaracterizedasanendocrinedisruptormimickingnaturalhormoneswhichhaselevatedsafetyconcernsaboutitleachingintoourfoodfromthepackagingandnegativelyimpactinghumanhealth.

• In2010,theFDAwarnedofthepossiblehazardtoyoungchildrenandBPAwasbannedfrombabybottles.

• DSA/TOFdirectanalysisofasectionofplasticbottleconfirmspresenceofBPAwithaccuratemass.

TOF MS

Chemical: Ferulic Acid in Skin Oil

Rapid analysis

Protects customers

• Ferulicacidisanantioxidantoftenaddedtoanti-agingskinproducts

• Cosmeticskinoilwasanalyzedtodetermineifferulicacidwaspresent

• DSA/TOFdirectanalysisofcosmeticskinoilconfirmsthepresenceofferulicacidwithaccuratemass

• Analysiswasperformedin15secondswithnosamplepreparation

TOF MS

Easy to use

No chromatography

Fast accurate mass

Chemical: Fullerene C-60

• Buckminsterfullerenesareresearchedfortheirtechnologicalapplicationsinmaterialsscienceandnanotechnology.

• DSA/TOFanalysis,innegativemode,ofa1mg/mLfullereneC-60intoluene

TOF MS

Easy to use

Compound confirmation

• Limoneneisamoleculethatgivesorangestheirstrongsmellandisoftenusedincleaningproductsandaprecursorforchemicalsynthesis

• Samplepreparationandmethoddevelopmentforanalysisoflimoneneislengthyandtimeconsuming

• Limoneneismeasuredinorangepeelwithdirectanalysisandaccuratemassconfirmation

Chemical: Limonene in Orange Peel

TOF MS

Chemical: Methylparaben in Hair Gel

Rapid, accurate results

Protects consumers

No sample prep or method development

• Parabensareaclassofchemicalsusedinpreservationofpersonalcareproductsandareimplicatedtonegativelyimpacthumanhealth

• Traditionalsamplepreparationandmethoddevelopmentofparabensistimeconsuming

• DSA/TOFdirectanalysisofpersonalcareproductsconfirmsthepresenceofmethylparabenwithaccuratemass

TOF MS

Chemical: Paraben Screening in Texture Cream

Easy to use

Ensures product safety

No sample prep

• Parabensareaclassofchemicalsusedinpreservationofpersonalcareproductsandareimplicatedtonegativelyimpacthumanhealth

• Traditionalsamplepreparationandmethoddevelopmentofparabensistimeconsuming,approximately25minpersample

• DSA/TOFallowedforfastscreeningofparaben-freetexturecreamandconfirmedtheabsenceofparabenswithhighmassaccuracy

TOF MS

Easy to use

No chromatography

Protects consumers

• Parabensarewidelyusedinlipstickstoimproveshelflifebutlinkstobreasttumourshavebeenfound

• DSA/TOFdirectanalysisoflipstickinaglasscapillaryconfirmspresenceofparabenswithaccuratemass

Chemical: Parabens in Lipstick

TOF MS

Easy to use

• Parabensareaclassofchemicalsusedinpreservationofcosmetics

• Samplepreparationandmethoddevelopmentofparabensislengthyandtimeconsuming

• DSA/TOFdirectanalysisoflotionconfirmsparabensinlotionwithaccuratemass

Chemical: Parabens in Lotions

TOF MS

Chemical: Salicylic Acid in Foundation

Results in seconds

Product integrity

• Salicylicacidisacommoningredientinacnefightingpersonalcareproductsusedtohelpclearandpreventskinblemishes

• Liquidfoundationwasdirectlyanalyzedtodetermineifsalicylicacidwaspresent

• DSA/TOFdirectanalysisoffoundationconfirmsthepresenceofsalicylicacidwithaccuratemass

TOF MS

Forensics: Cathinones in Bath Salts

Rapid analysis

No sample prep

• Cathinonesarecommonlyfoundinstreetdrugs,suchasbathsalts

• Currently,nostandardmethodofanalysisexistsforcathinonesinbathsaltsamples

• DSA/TOFanalysisofbathsaltsconfirmedthepresenceofbutylone,α-PVP,α-MPPP,andMDPBPwithaccuratemassofparentandfragmentions

TOF MS

Rapid analysis

No method development or sample preparation

• Cathinonesarecommonlyfoundinstreetdrugs,suchasbathsalts

• Currently,nostandardmethodofanalysisisavailableforcathinones

• DSA/TOFanalysisofcathinonestandards,butylone,2-MDPV,mephedrone,andMDPBPresultedinexcellentmassaccuracyofparentandfragmentions

Forensics: CID of Cathinone Standards

TOF MS

Fast, accurate mass

• Theminimumlevelofthedaterapedrug,Gamma-HydroxyButyricAcid,whichaffectshumansis1mg/mL

• Acolasamplewasspikedwiththedrugat0.1mg/mL,10-foldlessthantheminimumdetectionlimit

• Withnosamplepreparation,DSA/TOFanalysisofthecolasampledetectedthedrugwithhighmassaccuracy

Forensics: Date Rape Drug in Cola

TOF MS

Results in seconds

Non destructive

Forensics: Ethyl Centralite

• Residueanalysisonfabricisimportantforforensicanalysisofcrimescenes.Moderngunpowdersusenitrocelluloseandnitroglyercinasbasicingredients

• 2%Dichloromethyleneinmethanolwasinfusedat10µL/minandDSA/TOFwasruninpositivemode

• DSA/TOFanalysisonfabricidentifiedgunshotresiduebyconfirmationofethylcentralitewithaccuratemass

TOF MS

Forensics: Nitroglycerin

Results in seconds

Non-destructive

• Gunshotresidueanalysisonfabricisimportantforforensicanalysisofcrimescenes.Moderngunpowdersusenitrocelluloseandnitroglyercinasbasicingredients.

• 2%Dichloromethyleneinmethanol(asadopant)wasinfusedat10µL/mintoionizenitroglycerinasachlorideadduct

• DSA/TOFanalysisonfabricidentifiedgunshotresiduebyconfirmationofnitroglyercinwithaccuratemass

TOF MS

Easy to use

Confirms compound identity

Fast, accurate mass

• Testosteroneisananabolicsteroidthatcanbeusedtoenhancephysicalperformanceinathletes

• Testosteronepowderwasdirectlyanalyzedinaglasscapillary

• Confirmationoftestosteronewasachievedinsecondswithhighmassaccuracy

Forensics: Testosterone in Steroid Powder

TOF MS

Complete component analysis

Confirms product authenticity

• Emergen-C®isadietarysupplementdesignedtosupporthealthymetabolicfunction

• Analysisinbothpositiveandnegativemodesensurescompleteproductcharacterization

• DSA/TOFanalysisofEmergen-C®powderinaglasscapillarydetectscomponentswithahighmassaccuracy

Nutraceuticals: Components of Multivitamin Powder

TOF MS

Fast accurate mass

Assures product safety

• Albuterolsulfateinhalationaerosolisintendedfororalinhalationasatreatmentforbronchospasm.Itcontainsamicrocrystallinesuspensionofalbuterolsulfateinapropellant,andnootherexcipients.

• TheactivecompoundwasmeasuredusingDSA/TOFwhichprovidedaccuratemassconfirmation

Pharmaceutical: Aerosols/Inhalers

TOF MS

Results in seconds

No chromatography

• Panadol®Extratabletsaresolubletabletswithtwoactiveingredients,paracetamolandcaffeine,designedformildtomoderatepainrelief

• DSA/TOFanalysisofatabletdirectlydetectscomponentswithahighmassaccuracy

Pharmaceutical: Components of Panadol® Extra

Results in seconds

Complete component analysis

TOF MS

• Panadol®SinusMaxisdesignedforfastandeffectivereliefofsinuscongestionandpressure

Pharmaceutical: Components of Panadol® Sinus Max

TOF MS

Results in seconds

• Paracetamolisawidelyusedoverthecounteranalgesicandantipyretic,commonlyusedforthereliefofminorachesandpains

Pharmaceutical: Paracetamol Tablets

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Mass Spec Results In Seconds With Direct Sample …€¢ Insecticide on Mosquito Nets ... •...

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