Subject Index

aabundance ratios 188ff.accelerated solvent extraction (ASE) 26accuracy 407, 452acenaphthene 71, 119, 523acenaphthylene 119, 523, 627acephate 500acetamiprid 492acetate 474acetic acid-methoxyethylether 627acetone 8– ionisation potentials 158– PFE 27– SFE 21acetonitrile 8acetoxyscirpenol 622acetylation 472acetyldeoxynivalenol 622acetylene 158acidic hydrogen atoms 220acquisition 479, 489, 496

see also data acquisitionacridine 361acrylate copolymer layers 643activated charcoal 44active sample collection 57 ff.actuation 89adamsite 393ADBI polycyclic musks 616additives 465adduct formation 211, 219adrin 498adsorbents 8, 44, 54 f.adsorption– air analysis 422– chromatography 8– enrichment 54 ff.

– headspace technique 36– SFE 18– soil air 461– tube calibration 61aerosol 102aggregate states 17agilent 120, 124agrochemicals 319AHTN 616air analysis 54, 421 f., 545alachlor 479, 501alcohols 216, 345, 628aldehyde compound classes 628aldrin 366, 479, 501Alexander Yarkov libraries 318aliphatic amines 215aliquots 7, 31alkanes– compound class 628– discrimination 95– Kovats index 309– proton affinities 215– pyrolysis 67alkenes 345 f.alkylamines 216alkylaromatics 345, 358alkylbis(trifluoromethyl) phosphine

sulfides 310alkylphenols 472alkyls/derivatives 237, 313allethrin 492, 502allidochlor 499Alltech capillary columns 121, 125aluminium oxide columns 8amberlite 55

see also XADametryn 480, 491, 501

693

Handbook of GC/MS: Fundamentals and Applications, Second Edition. Hans-Joachim HübschmannCopyright � 2009 WILEY-VCH Verlag GmbH & Co. KGaA,WeinheimISBN: 978-3-527-31427-0

amines– cleavage 344– proton affinities 216– SPME 534amino columns 8aminobiphenyl 539aminocarb 499, 501aminotoluenes 539amitriptylines 384, 610ammonia 218, 227amphetamines 14, 383, 582 ff.anabolic steroids 3, 592analysis samples see samplesanalytical pyrolysis 65androgenes 319aniline 207, 216, 539anilofos 492anionic samples 8anthracene– capillary columns 119– m/z values 237– mass spectra 360– PAHs calibration 523– response gains 627– retention time 71anthropogenic organic contaminants 540apparatus 12, 42

see also instrumental techniquesappearance potential 209applications 421– 638– adsorption materials 56– capillary columns 124– libraries 317 f.– MCSS 89aqueous buffer 9arachidonic acid derivatives

(prostaglandins) 596aramite 503argon– charge exchange 219– ionisation detector 5– ionisation potentials 158aroclor 543f., 556 f.aromatic amines 534aromatic hydrocarbons– capillary columns 119– chlorinated (HNU) 157 f.– halogenated 351– polycyclic 521ff.– stationary phases 134

aromatics compound classes 628aspon 502asymmetric chromatogram peaks 146at notation (IRMS) 191atmospheric air 205atrazine 312, 368, 479, 501attomole region 1automated mass spectra deconvolution

identification system (AMDIS) 305automation– BTEX 429– headspace technique 53– mixture correction 334– purge and trap systems 54– sample inlet 90– sample preparation 7– toxicological-chemical analysis 607– water analysis 532AutoQuan 609autosampler– air analysis 423– EI/CI 231– volatile priority pollutants 437– MAGIC 60 analysis 444azaconazole 492azide hydrogen methylation 374azinphos 480, 505azulene 157, 237

�back pressure regulation 93background subtraction 304baking out phase 43 ff.BARBs drug screening 585base ion 211base/neutrals and acids (BNAs) 28bases 217basics 7– 292beeswax 629benalaxyl 480, 504benchtop GC/MS instruments 2benchtop/PBM spectral comparison 328bendiocarb 370, 479, 499f.benfluralin 491, 500benodanil 504benoxacor 491benzene– air analysis 428– breakthrough volumes 57– charge exchange 219

694 Subject Index

– detection limits 441– environmental components 626– headspace technique 36, 429– ionisation potentials 158, 207– irm-GC/MS 452– ISTD 404– m/z values 237– MAGIC 60 analysis 447– mass spectra 4, 355 ff.– purge and trap/GC/MS systems 51– recoveries 432benzene hexachloride (BHC)– acquisition parameters 479– multicomponent pesticide analysis 491– retention times 500f.– water analysis 532benzenesulfonic acid columns 8benzoanthracene/fluoranthene– capillary columns 119– internal standards 527– PAHs calibration 523– response gains 627– retention time 71benzofluorine 527benzol 425benzoperylene 71, 119, 523, 527benzopyrene– capillary columns 119– internal standards 527– mass spectra 361– PAHs calibration 523 ff.– response gains 627– retention time 71benzoximate 499benzoylprop-ethyl 504benzyl cleavage 345benzylchlorid 425BFRs analysis 560BHG 479Biemann-Watson separator 277bifenox 504bifenthrin 504binapacryl 508 f.biochemical processes 3biomarkers libraries 317bioterrorism 621biperiden 610biphenyls– m/z values 237– PAHs calibration 523

– polychlorinated 545– response gains 627bipolar fibres 14biscyanopropyls 136bitertanol 493blank values 53blood analysis 124, 553, 586boiling points 100– capillary columns 134– cryofocusing 117– injector system 112– PTV 103– retention index 313– solvents 107bond breaking 206bornaprin 610branched carbon chains 345breakthrough temperatures 117breakthrough volumes (BTV) 54, 57bromacil 491, 503bromazepam 610brominated aromatic compounds 394brominated diphenyl ethers (BDEs) 560brominated flame retardants 560bromine isotope pattern 338, 341bromkal 394bromobenzene 36, 405, 447bromobutane 158bromobutide 491bromochloromethane 424, 447– detection limits 441– MAGIC 60 analysis 447– purge and trap/GC/MS systems 51– recoveries 432bromofluorobenzene– air analysis 424– ISTD 404– MAGIC 60 analysis 448bromoform– breakthrough volumes 57– detection limits 441– ISTD 404– MAGIC 60 analysis 447– purge and trap/GC/MS systems 51– recoveries 432bromophenols 472bromophos 502bromopropylate 492, 504bromostyrene 467bromoxynil 506, 514

695Subject Index

BTEX– headspace GC/MS 429– MAGIC 60 analysis 443– mass spectra 358 f.– PID 158– purge and trap systems 45– soil air 461– volatile halogenated hydrocarbons 433 f.Budzikiewicz charge concept 206bufencarb 500bulk sample isotope analysis (BSIA) 195bupirimate 492, 504butachlor 492, 503butamifos 492butane 207butanol 35butralin 502butyl acetate 35, 158butyl colums 9butyl rubber septa 409butylamine 158butylate 499butylbenzene 447butyleneglycol-acetate 627butylglycol 627BZE 585

�C12 reference mass spectra 33713C varations 193cafenstrole 493caffeine 610, 625calibration– acrylate copolymer layers 647– air analysis 423– BTEX 431– chloral hydrate 459– clenbuterol 606– drug screening 586– geosmin/methylisoborneol 472– mass spectroscopy 399– MID 247– MS/MS 261– multicomponent pesticide analysis 491– PAHs analysis 523– polychlorinated biphenyls 546– sampling 59– standard addition 405– static headspace analysis 442– toxicological-chemical analysis 609

– trichothecene mycotoxins 624– unit 60– vinyl chloride determination 454calibration correction method (CCM) 173cannabis 582, 589capacity factor 34, 139 ff., 149capillary columns 7, 118 ff.– fast GC analysis 555– filigree 112– PAHs 528– prostaglandins 598capillary gas chromatography 1, 252captafol 500captan 480 f., 500, 503carbamates 370, 498carbamazepine 610carbenium 345carbetamide 503carbon 338, 345carbon dioxide– elution profiles 196– ionisation potentials 207– SFE 16ff.carbon disulfide 441carbon isotopic analysis 540carbon monoxide– charge exchange 219– cleavage 345– resolution 178carbon tetrachloride– breakthrough volumes 57– detection limits 441– ISTD 404– MAGIC 60 analysis 448– purge and trap/GC/MS systems 51– recoveries 432carbonyl compounds 217, 345carbopak 45carbophenothion 504carborane 554, 576carbosieve 45carbotrap 55, 61carbowax 14, 136carboxin 503carboxylic acid columns 8carcinogenic compounds 525, 572carnauba wax 629carrier gas– contaminants 408– GC/MS coupling 270

696 Subject Index

– irm-GC/MS 451– multi-residue method 498– PDD 163– regulation 91, 132– streams 3– velocity 130, 149cartridges 8cathode damage 274cationic samples 8C–C bonds 63, 152C–H bonds 152charge exchange 219 f.chemical analysis 1chemical attack 93Chemical Concepts Libraries 317, 335chemical ionisation (CI) 6, 206, 212 f.– clenbuterol 603– drinking water 472– environmental components 625– military waste 572– PAHs analysis 521– trichothecene mycotoxins 621– trinitrobenzenes 579– warfare agents 391– water analysis 508 ff.chemical noise 251, 303chemical reactions 335chemical warfare agents 371, 391 f.chemometric processing 86chlopen 542chloral hydrate 458chlorbenside 502chlorbenzilate 492chlorbromuron 503chlorbufam 501chlordane 479, 482, 502chlordiazepoxide 610chlordimeform 500chlorfenson 503chlorfenvinphos 296, 502chlorflurecol-methyl 503chloridazon 505chlorinated dibenzodioxins/furans 552chlorinated hydrocarbons 364chlorination 157chlorine 338f.chlormephos 499chlormethan 425chlormezanone 610chloroacetophenone (CN) 393

chloroaniline 539chlorobenzene– air analysis 424– breakthrough volumes 57– detection limits 441– ionisation potentials 207– ISTD 404– MAGIC 60 analysis 447– purge and trap/GC/MS systems 51– recoveries 432– soil air 464chlorobenzilate 503chlorobenzylidenemalnonitrile (CS) 393chlorobromopropane 448chlorobutane 158chlorofes 542chlorofluoroaniline 539chloroform 8– air analysis 425– boiling points 107– breakthrough volumes 57– chloral hydrate 458– detection limits 441– irm-GC/MS 452– ISTD 404– MAGIC 60 analysis 447– mass spectra 352– purge and trap/GC/MS systems 51– recoveries 432chloroiodobenzenes 539chloroneb 500chlorophenol 362, 472chloropropane 207chloropropylate 503chlorothalonil 501chlorotoluene 441, 447chloroxynil 514chlorpromazine 610chlorpropham 500chlorprothixene 610chlorpyrifos 491, 501 f.chlorthal-dimethyl 491, 502chlorthiamid 499, 502chlorthion 502chlorthiophos 504chlozolinate 503cholesterol 67, 642cholesterylstearate 640chromatograms 3, 138, 293– PCB/Ugilec T 243

697Subject Index

– PFB esters 614– polychlorinated biphenyls 547– sample trace 63– volatile substances 47chrysene– capillary columns 119– internal standards 523, 527– response gains 627– retention time 71cigarette smoke extract 87clean-up 8, 405, 498cleavage– C–C bonds 63– ionisation procedures 208– library search 321– mass spectra 344 ff., 383clenbuterol 603clofibric acid 611clogging 93clomazone 500clomipramine 610Cl-organic compounds classes 628clozapine 610clusters 224, 321C–N structure 154coating 14, 643coaxial heater restrictor 20cocaine 385, 582, 610codeine 384, 584 ff., 610co-elution– chromatograms 298– library search 332– mass spectra 307– prostaglandins 596coking plant soil 322cola sample 624cold injection system 21, 100f., 106cold needle 96cold trap 19, 62collision cell 255collision energy ramp 260collision-induced dissociation (CID) 253 ff.columns 1ff., 7– bleed 118, 131, 408– BTEX 429, 433– diameters 129– fast gas chromatography 70, 74– heating technique 74– irm-GC/MS 451– length 131

– MAGIC 60 analysis 445– military waste 572

see also capillary columns– SPE 8– switching schematics 90– thick film 421complete spectrum detection 231

see also full scancomponent perception 305compound classes 628compound derivatisation 192compound specific isotope analysis

(CSIA) 195ff., 451, 540comprehensive gas chromatography 1, 75 f.compression ratio 271concentration ranges 7concentrators 423, 433, 444concurrent solvent recondensation

(CSR) 92, 100confirmation– dioxins/dioxin-like PCBs 548– MS/MS 489, 496– target compounds 477congener specific isotope analysis 540construction– direct coupling 276– ECD 155– ELCD 160– FID 152– FPD 162– oil diffusion pump 273– packed column SPE 11– PDD 163– PID 159– thermal extractor 69– turbo molecular pump 271contamination– air analysis 424– clofibric acid 611– congener specific isotope analysis 540– drinking water 468– frequently occurring 408 ff.– indoor air 545– irm-GC/MS 451– open split coupling 274– slow on-column injections 114continuous pyrolyser 65conversion isotope analysis 197conversion rates 157cooking oils 51

698 Subject Index

coplanar PCBs 89copolymer layers 643copper 409coronene 361correlations, SISCOM 334cotinine 610cough mixture 3coumaphos 505coupling– detectors/MS 164– gas chromatography/mass spectrometry

3, 270 ff.– purge and trap/GC/MS systems 47– pyrolysers/GC/MS systems 67, 70cresol 362critical temperatures 18cross-contamination 36, 52crotoxyphos 503crude oil steroid biomarkers 196crufomate 502cryo-enrichment 108cryofocusing 54, 116 f.– air analysis 421ff.– calibration 62cryogenic zone 84cumenes 57Curie point pyrolysis 64 ff.cutoff point 164cyanazine 480, 491, 503cyanide/cyanate radicals 154cyano columns 8cyanophos 491, 501cyanopropylphenyl 136cycle time 249cycloate 500cyclodex colums 121cyclohexane 34 f., 107cyclohexyl columns 8cyclopentapyrene 527cyfluthrin 505cyhalofop-buthyl 493cyhalothrin 493cypermethrin 493, 505cyprazine 501

�data acquisition 479– air analysis 425– MDGC 85ff.– MID 246 ff., 260 ff., 531

– MS/MS 260, 489, 496data file formats 308, 315DDD 365, 479, 503 f.DDE/DDT– acquisition parameters 479– mass spectra 366– minimum resolution 181– retention times 503dead time 139 f., 147 f.deca-BDE analysis 560decachlorobiphenyl 381decision limit 396decomposition 63– explosives 386– injector system 111 ff.– mass spectra 370deconvolution 84 ff., 305 ff., 331degassing products 408degradation– irm-GC/MS 451– military waste 572– multi-residue method 498– polycyclic musks 616delor 542delta notation/variations 189 ff.delta13C values 540deltaC/N determinations 198deltamethrin 493, 505demeton 479, 500densities 17deoxynivalenol 622depletion 192derivatisation 13– cannabis 589– clofibric acid 613– morphine 584– prostaglandins 596– SPME 534– water analysis 506descriptor 249desethylatrazin 479, 500designer drugs libraries 318desmethryn 480desmethylclomipramine 610desmethylmedazepam 610desmetryn 486, 501desorption– calibration unit 61– drinking water 454– irm-GC/MS 451

699Subject Index

– MAGIC 60 analysis 445– purge and trap systems 41ff.detection limits (LOD) 14– air analysis 425– mass spectroscopy 397– multi-residue method 498– volatile priority pollutants 438– water irm-GC/MS 452detection techniques 1– GC/MS systems 151– MDGC 84– nitroaromatics 573 f.detoxification 607deuterated compounds 404deuterated standards 521DGC 540diacetone alcohol 410diacetoxyscirpenol 622diagnostic toxicological-chemical

analysis 607diagram– ion trap analyser 180– quadrupole mass spectrometer 178

see also construction, schematics,principles

dialifos 505di-allate 500diameter, capillary columns 129, 129diaminotoluene (DAT) 389, 539diazepam 610diazinon 188, 491, 497 ff.diazotation 537dibenzoanthracene– capillary columns 119– internal standards 527– PAHs calibration 523– response gains 627– retention time 71dibenzodioxins/furans 552dibenzopyrene 527dibromochloroethane 432dibromochloromethane– detection limits 441– ISTD 404– MAGIC 60 analysis 447– mass spectra 352– purge and trap/GC/MS systems 51dibromochlorophenol 363dibromochloropropane 447dibromoethane 354, 447

dibutyl phthalate 413dichlobenil 499dichlofenthion 491, 501dichlofluanid 502dichlormid 499dichloroaniline 539dichlorobenzene– detection limits 441– internal standards 523– ISTD 404– MAGIC 60 analysis 447f.– mass spectra 355dichlorobiphenyl 379dichlorobromomethane 405dichlorodifluoromethane 448dichloroethane– breakthrough volumes 57– detection limits 441– MAGIC 60 analysis 448– purge and trap/GC/MS systems 51– recoveries 432dichloroethylene– calibration file 446– irm-GC/MS 452– MAGIC 60 analysis 448– recoveries 432– static headspace analysis 440dichloroiodobenzene 539dichloromethane 8, 16dichloromethane– boiling points 107– detection limits 441– ISTD 404– MAGIC 60 analysis 448– mass spectra 352– PAHs calibration 523– PFE 27– purge and trap/GC/MS systems 51– recoveries 432dichlorophenol 363dichlorophenyl acetate 363dichloropropane 57, 432, 448dichloropropene 354, 441dichloropropylene 448, 613dichlorvos 479, 499diclofop-methyl 492, 504dicloran 491, 501dicofol, 502dicrotophos 500dieldrin 367, 479, 503

700 Subject Index

diethofencarb 491diethyleneglycols 627diethylether 107diffusion 139 f., 147 f.– sampling tubes 57– SFE 17difluorobenzene 424digital image processing 87dihalogenated hydroxybenzonitrile 514dihydrocodeine/morphine-TMS 587diiodo(nitro)toluene 539dilution 7, 112dimepiperate 492dimetachlor 501dimethenamid 491dimethoate 479, 501dimethyl 121dimethyl disulfide (DMDS) 350dimethylformamide 158dimethylnaphthalene 359, 523, 627dimethylnitrophenol 506dimethyloxazoline (DMOX) derivatives

320, 350dimethyl-polysiloxane 134dimpylate 479dinitramine 501dinitrobenzene (DNB) 390 ff.dinitrophenol herbicides 508 f.dinitrotoluene (DNT) 388dinobuton 508 f.dinoseb/terb herbicides 508 ff.dioctyl phthalate 413diol columns 8dioxan 34dioxathion 501dioxins 3– capillary columns 124– confirmation analysis 548– ion trap analyser 181– PCBs 548, 554– PFE 28– polychlorinated 382diphenamid 491, 502diphenylamine 500diphenyl-dimethyl-polysiloxane 134diphenylhydramine 610direct GC/MS coupling 276ff.discharge gas 163discrimination 95dispersion 145

dissociation 155, 191distribution constant 14disubstituted alkanes 215disubstituted aromatics 313disulfoton 188, 306, 501dithiophosphoric acid esters 371diuron 375divinylbenzene/carboxen/polydimethylsiloxane

(DVB/CAR/PDMS) 14DNOC structures 509doping analysis, steroid hormones 592double bonds 346, 350double focusing magnetic sector instrument 1doxepin 610doxylamine 610drinking water, see also water– analysis 405– geosmin/methylisoborneol 468– herbicides 508– MAGIC 60 analysis 443– SPME 534– substituted phenols 472– vinyl chloride 454droplet formation 102drugs– acrylate copolymer layers 643– hair analysis 582– libraries 319– mass spectra 383– morphine derivatives 584– toxicological-chemical analysis 607drying 15, 42 ff.dual cryo jet modulator 84duty cycles 232, 250dwell times 232 f., 247dynamic headspace technique

(purge trap) 39dynamic regions 521

�Eddy diffusion 139, 146edifenphos 492, 504effective plates 150electrolytical conductivity detector

(ELCD) 159 f.electron beam ionisation 335electron capture 155, 222electron capture detector (ECD) 12,

51–157– military waste 572f.

701Subject Index

– target compound analysis 477electron impact ionisation (EI) 4, 206– environmental components 625– MS/MS 252– perfluorophenanthrene 268– trichothecene mycotoxins 621– trinitrobenzenes 579electron loss 344electron migration 206electronic flow control units (EPC) 91electrospray ionisation (ESI) 183elemental analysers (EA) 194elution/eluates 8– air analysis 424– capillary columns 133– chromatograms 139, 293– internal standard 403– IRMS 196– MAGIC 60 analysis 443– SPE 8emergency analysis 607endosulfan 479, 492, 502 ff.endrin 367, 479, 503enrichment 11environmental components 625environmental congener specific isotope

analysis 540Environmental Protection Agency (EPA)

method 16, 46– air analysis 421ff.– MAGIC 60 analysis 443– PAHs analysis 521enzymatic reactions 192ephedrine 383EPN 504EPTC 499equilibrium fractionation 191erbon 503errors, standard addition 407ester compound class 628etaconazole 504ethalfluralin 491, 500ethane 158ethers 344, 628ethion 504ethofumesate 502ethoprophos 479, 491, 500ethylacetate 8ethylacetate– boiling points 107

– partition coefficients34– SFE 21ethylacrylate layers 643ethylan 503ethylbenzene– breakthrough volumes 57– detection limits 441– headspace technique 36– ISTD 404– MAGIC 60 analysis 448– mass spectra 356 ff.– purge and trap/GC/MS systems 51– recoveries 432ethylchloride 447ethylene 158, 176ethyleneglycols 627ethyl-methylbenzene 357ethylnaphthalene 359etoloxamine 610etoxazole 492etridiazole 499etrimfos 480, 501EU regulation 525, 534evaluation, GC/MS analyses 293– 420evaporation rate 100exact masses 338excitation voltage 479 f.excited radicals 151expansion volumes 110explosives 386exponential mass calibration 262external standardisation 401, 454, 459extraction 7– mass spectra 297– nitroaromatics 572– PFE 27– SFE 16– standard addition 405

�Faraday cup arrangement 203fast gas chromatography 70 ff., 525, 554fast on-column injections 114fate 540fatty acid methyl ester (FAME) 124, 201fatty acids 320, 640FC43 spectrum 264 ff.fenamiphos 503fenarimol 480, 505fenchlorphos 501

702 Subject Index

fenitrothion 502fenoxanil 492fenpropathrin 492, 504fenson 502fensulfothion 504fenthion 502fenvalerate 493, 505ferromagnetic alloys 66fibres types 14field analysis 461filigree capillary columns 112filled needle hot sample injection 96film thickness 118, 130 f.fipronil 491fish samples 481, 620FIT values 324 f.flame ionisation detector (FID) 151, 294flame retardants 560flamephotometric detector (FPD) 161flameproofing agents 394flamprop-isopropyl 504flamprop-methyl 492, 503flash pyrolysis 65flavour components 202, 525flight times 211Florisil columns 8flow diagram 19flow divider 165flow rates 91 ff.– capillary columns 130– chromatography parameters 138– fast gas chromatography 72– optimisation 147– PDD 164flow switching 84, 87fluacrypyrim 492fluazifob-buthyl 480fluchloralin 501flumetralin 503flumioxazin 493fluoranthene– capillary columns 119– PAHs calibration 523– response gains 627– retention time 71fluorene– capillary columns 119– isotope frequencies 338– m/z values 237– PAHs calibration 523

– response gains 627– retention time 71fluorobenzene 405, 448fluorodifen 504flurochloridone 503flushing air analysis 424flutlanil 492fly ash 22 f.foil pyrolysis 62 ff.folpet 499, 503fonofos 500food– chain 3– MS/MS 489– PAHs quantification 525– trichothecene mycotoxins 621– volatiles libraries 318formaldehyde 14fortifying 582forward pressure regulation 91fosthiazate 491fractionated pyrolysis 65fractionation 191

see also main fragment m/z valuesfragmentation– electron impact ionisation 209– GC/MS systems 314– mass spectra 335 ff., 343 f., 383– MS 211– phosphoric acid esters 371– prostaglandins 599– protonation 218freezing/freeze drying 15 ff.freons 16, 425frit spargers 40fruits 498FT Orbitrap mass analysers 174fthalide 491fuels 89full scan 231 f., 468full width at half maximum (FWHM) 167fundamentals 7 –292furans 3– capillary columns 124– confirmation analysis 553– PFE 28– polychlorinated 382fusarenon 622fused silica capillary columns 2– 8, 70, 90,

120

703Subject Index

�gas chromatography (GC) 1, 70 ff.– air analysis 423

see also GC/MSgas extraction techniques 32gas lines 424gas liquid chromatography (GLC) 4gas phase 17gas phase acidities 221Gaussian curves 138GC/MS techniques 1 ff., 270 ff.– air analysis 423– BTEX determination 433– prostaglandins 596– steroid hormones 592– trichothecene mycotoxins 621GC/MS/MS techniques 254– PBBs 568– pesticides chromatograms 495– target compound analysis 477geochemicals mass spectra libraries 317geosmin/methylisoborneol 468glass columns 8glass dome operation 87glass PATapparatus 42glycols/derivatives 628graphitised carbon black 56Graphpac-D 45ground water 538, 611

see also water, waste-, surface-, drinking-

�2H variations 194hair analysis 582Halfenprox 493Hall detector 159halogen content 12halogenated hydrocarbons 50– air analysis 421ff.– BTEX 432– chromatograms 293, 298, 304– internal standard 405– MAGIC 60 analysis 443– mass spectroscopy 351– PID 158– soil air 461haloperidol 610HCH 502HCN loss 346headspace technique 3, 7, 30 ff.

– BTEX 429– PBBs 568– vs. purge trap 49, 54heart cutting 75 f.heating rates 133height equivalent to theoretical plate (HETP)

141 f., 147 ff.helium– GC/MS coupling 270– ionisation potentials 158, 207– PDD 163– van Deemter curves 133– viscosity 166– water removal 199heptabromobiphenylene 223heptachlor 479, 501 f.heptachlorobiphenyl 181, 380heptane/heptene 57heptenophos 479, 500herbicides 28, 368, 505 ff.heroin 385, 583 ff.heterocycles 346hexabromobiphenyl (HBB) 223, 394hexachlorobenzene (HCB) 365, 499f., 558, 628hexachlorobiphenyl 245, 380hexachlorobutadiene 405, 441„ 448hexachloroethane 441hexaconazole 492hexane 8– boiling points 107– ionisation potentials 158– partition coefficients34– PFE 27hexazinon 369, 480„ 504hexogen (RDX) 386f.HHCB 616high boiling compounds 2high frequency pyrolysis 64, 66 f.high resolution gas chromatography

(HRGC) 90high resolution magnetic sector analyser 185high resolution mass spectrometers 168high resolution MID data acquisition 246 f.high resolution PAHs quantification 525high resolution quadrupole analysers 173 ff.high speed column conditions 84high temperature phase capillary columns 119highly sensitive environmental screening 625historical GC/MS technique development 4hit quota (library search) 330

704 Subject Index

homeland security 621homologous M-series 310hormones 592, 596hot sample injection 95 f.hot split injector 603HPLC 2, 12, 18, 584HRMS 525, 548H-SRM 173, 489, 496

see also selected reaction monitoring (SRM)HT-2 toxin 621human body biochemical processes 3humps 75hydrazines 217hydride abstraction 218hydrocarbons, see also halogenated

hydrocarbons– aromatic/chlorinated (HNU) 158– background contaminants 411– BTEX 432– chlorinated 364– chromatograms 293, 298, 304– ECD 156– MAGIC 60 analysis 443– mass spectroscopy 351– PID 158– polyaromatic 2, 17, 23 f., 153– polynuclear aromatic 70, 119– pumps 273– soil air 461– stationary phases 134– total petroleum (TPH) 28– wax pyrograms 640hydrocodone 587, 610hydrogen– cleavage 346– FID hydrogenator 152– GC/MS coupling 272– ionisation potentials 158– isotope frequencies 338– retention index 313– van Deemter curves 133– viscosity 166hydrolysis– cannabis detection 589– chloral hydrate 458– dinitrophenol herbicides 510– morphine derivatives 584hydromorphone 587hydroxybenzonitrile herbicides 514hydroxytetrachlorodibenzofuran 181

hyperbolic quadrupoles 171 ff.hyphenated techniques 7

�identical treatment of reference and sample

material (IT) 204identification, trichothecene mycotoxins 621image processing 87imazalil 503imazamethabenzmethyl 492imibenconazole 493iminoethers 217imipramine 610immunological methods 584impurities 407 ff.in situ derivatisation 534INCOS library search 320 ff., 331 ff.indenopyrene– capillary columns 119– internal standards 527– PAHs calibration 523– response gains 627– retention time 71indoor air 545

see also air, soil airinformation content 3, 253injection 89 ff.– air analysis 422– BTEX 429, 433– chloral hydrate 458– drinking water 454– headspace technique 37, 53– hot/cold 111– irm-GC/MS 451– IRMS 204– MAGIC 60 analysis 445– MS/MS 490– multi-residue method 498– PAHs analysis 521– pressure regulation 93 f.– purge and trap/GC/MS systems 47– pyrolysis 66– target compound analysis 477– volatile priority pollutants 437– volumes 108 f.instrumental techniques 1– purge and trap systems 42– SPE 12integrated control systems (INCOS) library

321

705Subject Index

intensities 28, 334interfaces 81, 274ff.interfering signals 407internal capillary column diameter 129internal standard (ISTD)– BTEX determination 433– cannabis detection 589– clofibric acid 611– MAGIC 60 analysis 443, 448– mass spectroscopy 402, 404– multi-residue method 498– PAHs analysis 523, 527– static headspace analysis 437interpretation, mass spectra 335ff.involatile matrix 112iodination 534iodine 338iodobenzene/biphenyl 539iodobutane 158iodonaphthaline 539iodotoluenes 539ion abundance dependence 187ion beam instruments 231ion chromatogram see chromatogramsion cyclotron resonance 5, 174ion exchange chromatograpy (IEC) 9ion source stability 53ion storage mass spectrometers 232ion trace chromatogram see chromatogramsion transmission 173ion trap instruments 6– EI/CI 229 –235– environmental components 625– MS/MS 252, 256– prostaglandins mass spectra 601– storage times 211ion types 211ionic samples 8ionisation 206– FID 151 f.– irm-GC/MS 452– mass spectra 335– MS/MS 252– PAHs quantification 528ionisation potentials 4, 158, 207 f.ionol (BHT) 413ioxynil 506 f., 514iprodione 504irm-GC/MS 451 f.isazofos 501

isobaric interferences 203isobutane 218, 227isobutyraldehyde 158isofenphos 502isomer separation 529isomeric compounds 2, 324isopentane 107isopropalin 502isopropanol 35isopropylbenzene 448isopropyltoluene 405, 448isotope dilution 403 f.isotope frequencies 338isotope patterns– library search 321– mass spectra 336 ff.– PCB 245– TCDD 182isotope ratio mass spectrometry (IRMS)

88, 188 ff., 202isotope reference materials 205isotopes 4isotopic fractionation 191

jet-pulsed modulators 84

kanechlor 542Kel-F 409ketones 344, 628key fragments see main fragmentskieselgur columns 8kinetic energy 191kinetic fractionation 192Kovats index 150

�landfill gas 433lanolin 629large volume injection 107f., 477lemon extract analysis 295lenacil 492lengths, capillary columns 131leptophos 504levallorphan 587levomepromazine 610levorphanol 587library search– air analysis 427

706 Subject Index

– mass spectra 306, 313 ff., 320, 335– soil air 461– volatile priority pollutants 437, 441lidocaine 610limits of detection (LOD) 1– air analysis 425– multi-residue method 498– volatile priority pollutants 438limits of quantitation (LOQs),

see also quantitation– MAGIC 60 analysis 447– PBDE analysis 561lindane– acquisition parameters 479– mass spectra 364– retention times 501– water analysis 532line materials contaminants 409line spectrum 210linear calibration function 399linear range 14linear temperature programs 309linuron 375, 502lipids libraries 320liquid extraction procedures 572liquid nitrogen trap 200liquid phase 17liquid solid chromatograpy (LSC) 9liquid-liquid microextraction (LLME) 437local normalisation (library search) 321, 328localised charge concept 206lock-and-cali mass technique 248 f., 549lock-mass technique 247f.lodofenphos 503loop injection 422low resolution quadrupole analysers 173 ff.low voltage ionisation 206lower application limits 51LSD 585Ludwig light phase rotation perforator 507

�m/z values see main fragmentsMacherey-Nagel capillary columns 121, 125MAGIC 60 analysis 236, 443magnetic sector instruments 1, 174– calibration 262– chromatograms 294– EI/CI 229 f.– flight times 211

– TCDD isotope pattern 184Magnum CI (advanced chemical ionisa-

tion) 213main fragment m/z values 297 f., 347 ff.

see also fragments– contaminants 408– pesticides 238– polycondensed aromatics 237MAK value list 573malaoxon 502malathion 372, 502mass analysers 174mass calibration 261mass chromatograms see chromatogramsmass correlations 347mass detection scheme 247mass equilibrium 33mass filter 5mass instability 6mass selectivity 12mass spectra– ADBI 618– AHTN 618– carboxy-THC-TMS derivatives 590– chromatograms 293– clenbuterol 603– HHCB 617– interpretation 335ff.– methandienone 593– PBDEs 561– prostaglandins 598– trinitrobenzenes 579mass spectrometry (MS) 1 ff., 166 ff., 231– BTEX 433– isotope ratio analysis 200MassLib program package 335matrix 7– headspace technique 35– standard addition 405– target compound analysis 477matrix assisted laser desorption (MALDI) 183matrix exclusion 89matrix noise 371matrix swelling 21maximum sample capacity 146McLafferty rearrangement 206f., 346 ff.McLafferty statistics, library search 328MCPA/B methylester 377measuring techniques 231ff.meat 525

707Subject Index

mecoprop 514, 613medazepam 610mefenacet 493mefenoxam 491mefenpyr-diethyl 492Merlin microsealsepta 94metabolites– cannabis detection 589– mass spectra libraries 319– military waste 572f.– morphine 584 f.metal chelates 9metalaxyl 501metamizol-desalkyl 610metastable ions 211metazachlor 502methadone 582, 610methamidophos 499methandienone 592methane– FID 151– ionisation potentials 158– NCI 224– oxidation reactor 198– protonation 218methanol 8– boiling points 107– environmental components 625– MAGIC 60 analysis 443– NCI 225– PFE 27– protonation 218– SFE 21methaqualone 610methidathion 480, 503method detection limits (MDL) 173methoprotryne 503methoximes 596methoxychlor 479, 504methyl bromide/chloride 447methyl esters– mass spectra 320, 376 f.– EI analysis 515– nitrophenol herbicides 508methyl isothiocyanate 158methyl linolenate 207methyl trithion 503methylacetate 107methylation 505ff., 514 ff.methylbutylether 452

methylchrysene 527methyldiuron 375methylisoborneol (MIB)/geosmin 468methylisopropylbenzene 358methyllinuron 376methylmethacrylate copolymer layers 643methylmonuron 374methylnaphthalene 523, 627methylphenanthrene 523, 627methylphenobarbital 610methylsilicone phases 237metobromuron 501metolachlor 502metribuzin 501mevinphos 479, 491, 500mexacarbate 500 f.microcontaminants 532microextraction 7microseal septum 94f.microwave assisted extraction (MAE) 26midazolam 610migration 8, 346military waste analysis 572minimum detectable quantity (MDQ) 164minimum resolution 176, 181mirex 367, 499, 504mixture correction 334mobile soil air analysis 461moclobemid 610modifiers 21 ff.moisture control system (MCS) 43, 47, 54molecular ions 211, 336molecular sieves 56, 61molecular sulfur 411monoacetylmorphine (MAM) 583 ff.monoacetylmorphine-TMS 587monochlorobiphenyl 379monocrotophos 491, 501monolinuron 501mononitrobenzene (MNB) 391mononitrotoluene (MNT) 390monuron 374morphine 384ff., 587moving capillary stream switching (MCSS)

87 f., 540MS/MS (tandem mass spectrometry) 250ff.– hair analysis 582– pesticides 489– product ion spectrum THC-TMS 591– prostaglandins 596

708 Subject Index

– quadrupole analysers 173– steroid hormones 592– trichothecene mycotoxins 621MTBE 107, 441multibed adsorption/desorption tube

carbotrap 300 56multicomponent analyses 236, 489multidimensional gas chromatography

(MDGC) 77multidimensional mass spectrometry 251multiple headspace extraction procedure

(MHE) 32multiple ion detection (MID) 231, 234– brominated flame retardants 560– dioxins 548– PAHs 531– PCB/Ugilec 242– PFB esters 614multiple split technique 62multipoint calibrations 400multiresidue method 489, 498musk perfumes 616myclobutanil 504mycotoxins 621

15N variations 194nafion 61, 200, 421nalorphine 587naloxone 610naphthalene 55– capillary columns 119– detection limits 441– internal standards 523– ISTD 404– m/z values 237– MAGIC 60 analysis 448– mass spectra 359– response gains 627– retention time 71naphthoquinone 157naphthyl compound class 628naphthylamine 539naphthylene 71natural compounds, 13C/2H/18O varia-

tions 193f.natural isotope frequencies 338natural waxes 629needle sparger 40needles, hot/cold/filled 95

negative chemical ionisation (NCI) 217, 220ff.– mode FC43 spectrum 269– MS/MS 252, 258neoprene contaminants 409neosolaniol 622Nernst equation 138neutral particles loss 345nicotine 610NIST library– EPA/NIH 314, 321– PAHs analysis 523– volatile priority pollutants 437, 441nitralin 505nitrapyrin 500nitrazepam 610nitric oxide 219nitroaniline 539nitroaromatic compounds (NAC) 534, 573, 628nitrobenzene 157, 207, 539nitrocompounds 154, 216nitrofen 503nitrogen– charge exchange 219– compound class 628– ionisation potentials 158, 207– isotope frequencies 338– isotope reference materials 205– mass spectra 336– resolution 176– van Deemter curves 133– viscosity 166nitrogen/phosphorus detector (NPD) 154 f.,

477nitrogen/phosphorus pesticides 479nitrogroups 386nitromusk compounds 616nitropenta (PETN) 386 ff.nitrophenol herbicides 505nitrothal-isopropyl 491, 502nitrotoluene 386 f.nivalenol 621noise analysis 251, 305noise filter 321, 327nomenclature, pyrolysis 65nonachlor 479nonachlorobiphenyl 181, 381nonpolar fibres 14norcodeine 587nordazepam 610norflurazon 504

709Subject Index

normal phase chromatograpy (NPC) 8, 9nortilidine 610nortrimipramine 610nortriptyline 610notations, IRMS 189nuarimol 504nuclide masses 4number of theoretical plates 149

�18O variations 193octachlorobiphenyl 381octachlorostyrene 365octadecatrieenoate 351octadecyl columns 8octafluoronaphthalene 222octogen 386octyl columns 8odour contamination 468, 472off-line techniques 7oil diffusion pump 273oils 51, 89oleic acid amide 411omegatron 5omethoate 500on-column injection 112one-point calibrations 400one-step jet separator 277on-line coupling 7, 24on-line high temperature conversion 200on-line sample combustion 197on-line SPE-GC/MS 532open split coupling, GC/MS 274open split interface 196 f., 423open tubular columns 5operation modes 40, 255opiates 582, 585optical resolution 179Orbitrap mass analysers 174organic acids compound class 628organic chemical analysis 1organic compounds libraries 318organic samples/solvents 8organochlorine pesticides 28, 479organophosphorus pesticides 28OV-1, purge and trap systems 44oven program optimisation 72oxadiazon 503oxadixyl 480, 492, 504oxidation reactor 198

oxidative pyrolysis 65oxides 215oxycarboxin 499, 504oxychlordane 502oxycodone 587oxyfluorfen 492, 504oxygen– contaminants 409– detector (O-FID) 152– ionisation potentials 207– isotope frequencies 338– proton affinities 216ozone problem 3

�packed column technique 1, 71, 277 f.paclobutrazol 492Palisade Complete Mass Spectra Library

317, 328 ff.panathion-methyl 502paracetamol 610paramagnetic properties 66paraoxon 502paraoxon-ethyl/methyl 372parathion 491, 502parathion-ethyl 312, 373parathion-methyl 373, 491Parlar 69 230partition coefficient 12– chromatograms 138 ff., 149– headspace technique 30, 33 f.– halogenated hydrocarbons 50passivation 422passive sample collection 57 ff.pattern recognition 327, 629patulin 621PBDE analysis 560, 568PBM (probability based match) library

search 320, 328 f.PCP 585peak capacities 75peak symmetry 146peak width 140 ff.Pebulate 499Pee Dee Belemnita isotope reference

materials 205penconazole 480, 503pendimethalin 502pentachlorobiphenyl 380pentachlorobiphenylene 181

710 Subject Index

pentafluorobenzyl esters 611pentane 107, 207pentazocine-TMS 587pentobarbital 610perazine 610perchloro compounds classes 628perfluorinated compounds 261perfluorokerosene (PFK) 267 ff.perfluorophenanthrene 268perfluorotributylamine (FC43) 313perforator 505PerkinElmer capillary columns 121, 125permethrin 505perylene 523, 627pesticides 3– capillary columns 124– compound class 628– libraries 309, 319– M series chromatograms 311– main fragments 238– mass spectra 368 ff., 371 ff.– MCSS 89– multicomponent MS/MS 489, 498– PFE 28– target compound analysis 477Pethidine 610petrochemicals mass spectra libraries 317PFB-TMS derivatives 598phalates compound class 628pharmaceuticals 3, 319, 611phases– capillary columns 120– chromatograms 149– IRMS 191– purge and trap/GC/MS systems 48– SFE 16f.phenacetin 610phenanthrene 71, 119, 523, 627phenazone 610phenobarbital 610phenols– compound class 628– drinking water 472– ionisation potentials 158– mass spectra 358, 362– PFE 26phenomenex 121, 125phenothrin 492 f.phenoxyalkylcarboxylic acids 376, 611phenthoate 492, 502

phenylacetates 474phenylphenol 500phenyls 8, 527, 573phenylureas 14, 374phenytoin 610phorate 500phosalone 373, 504phosmet 504phosphamidon 491, 502phosphoric acid esters 297, 371, 391phosphorus 338phosphorus compounds 162phosphorus-containing substances 154photoionisation detector (PID) 157 f., 572photon elimination 255physical properties, SFE 17phytane 196picolinyl esters 320piperophos 492pirimicarb 370, 480, 501pirimiphos 480, 49, 501 f.piston pump 18plant protection agents 3, 295, 364plastic sheeting 51plasticisers 8, 408plungers 13poisons mass spectra libraries 319polar aromatic amines 534polar fibres 14polar groups 313polar phenols 26polar samples 8polar solvents 21polar stationary phases 118polarity 14, 468pollutants mass spectra libraries 319polyacrylate (PA) 14polyaromatic hydrocarbons 2, 17, 23 f., 153polychlorinated biphenyls (PCBs)– capillary columns 124– compound class 628– congener specific isotope analysis 540– ELCD 161– external standardisation 401– indoor air 545– mass spectra 378– MCSS 89– PFE 28– processing 12– PTV 106

711Subject Index

– SIM analysis 241 ff.polychlorinated bornane 230polychlorinated dioxins (PCDDs) 3, 382– confirmation analysis 548– PFE 28– SFE 22f.polychlorinated furans (PCDFs) 382, 548polycondensed aromatics 237polycyclic aromatic hydrocarbons (PAHs)– analysis 521 ff.– anthracene compounds 628– capillary columns 119– fast gas chromatography 70– military waste 572– response gains 627polycyclic musks 616polydiemthylsiloxane (PDMS) coating 14 f.polyethylacrylate-methylmethacrylate

(PEAMMA) 643polyethylene 409polymerisation additives 465polynuclear aromatics 358polysiloxane capillary columns 121POPs 532Porapak 56, 61porous carbons 13porous layer open tubular (PLOT) column

454 ff.positive chemical ionisation (PCI) 218 ff.– clenbuterol 605– environmental components 625– FC43 spectrum 268– MS/MS 252, 270powdered activated carbon (PAC) 14precursor ions 479f.precursor-product ion scan 254preparation (standard solutions) 404pressure balanced injection 37, 429pressure equivalence principle 15pressure equivalent extraction 18pressurized fluid extraction (PFE) 26 ff.pressurized solvent extraction (ASE) 526pretilachlor 492primidone 610principles– chemical ionisation 212– concurrent solvent recondensation 100– ECD 155– ELCD 160– FPD 162

– headspace technique 31– high resolution adjustment 169– high temperature conversion 200– identical treatment of reference and sample

material (IT) 204– ion trap analyser 180– isotope ratio monitoring 189 f.– magnetic sector mass spectrometer 175– mass spectrometry 343– multidimensional gas chromatography 82– PDD 163– PID 158– quadrupole mass spectrometer 178– SRM target compound analysis 259– TOF analyser 186– two dimensional gas chromatography 80pristane 196probability based match (PBM) library search

328 f.prochloraz 505procymidone 503profenofos 492, 503profluralin 501programmed temperature vaporiser (PTV)

100 ff., 115, 560prohydrojasmon 491promazine 610promecarb 370, 499 dpromethazine 610prometon 500prometryn 480, 501propachlor 500propane 207propanil 491, 502propargite, 504propazine 491, 494, 501propene 158propetamphos 504propham 500propiconazole 504propoxur 479propranolol 610propyl phthalate 412propylamine 207propyleneglycols 627propyphenazones 610propyzamide 501prostaglandins 596prothiofos 503proton abstraction 220

712 Subject Index

proton affinities 215protonation 214, 218 f.pulse pyrolyser 65pulsed discharge detector (PDD) 162 f.pulsed positive ion negative ion chemical

ionisation (PPINICI) 218purge trap techniques 3, 7– BTEX determination 433– chloral hydrate 458– drinking water 454, 468– gas chromatography (PAT-GC) 39– GC/MS chromatograms 298– headspace technique 39 ff.– irm-GC/MS 451– MAGIC 60 analysis 443– polymerisation additives 465– VOCs 437purity 18PURity soil chromatogram 326pyrazophos 480, 493, 505pyrene– capillary columns 119– m/z values 237– PAHs calibration 523– response gains 627– retention time 71pyributicarb 492pyridaben 493pyridafenthion 492pyridines 217pyrifenox-Z 491pyriminobac 492pyrogram 65pyrolysis 63 ff.– acrylate copolymer layers 643– CNC compounds 154– FID 151– IRMS 198pyroquilon 491pyrrolidine derivatives 320

�QED 489quadrex 121, 125quadrupole analyser 5, 171 ff., 211quadrupole instruments 1, 231 ff.quadrupole ion storage device (QUISTOR) 5quadrupole mass filter 5quadrupole mass spectrometers 84, 184quantitation

– acrylate copolymer layers 643– cannabis 589– clofibric acid 611– drinking water 454, 468– environmental components 625– mass spectroscopy 395, 401 f.– multi-residue method 498– PAHs 525– PBBs 568– polychlorinated biphenyls 545– prostaglandins 596– pyrolysis 67– static headspace analysis 437– target compound analysis 477– toxicological-chemical analysis 607– trichothecene mycotoxins 621quantitation limit (LOQ)– BTEX 432– MAGIC 60 analysis 447– mass spectroscopy 397– PBDE analysis 561quasimolecular ion 213quaternary ammonium columns 8QuEChERS 489quinalphos 296, 492, 502quinidines 610quinines 610, 625quinoclamine 491quinoxyfen 492quintozene 500

�radical loss 386RDX mass spectra 386 f.reactions– chemical ionisation 212– ECD 156reagent gases– charge exchange 219– NCI 224– protonation 218reagent ion capture 222rearrangements 206, 335, 343f.recombination 156recondensation 100reconstructed ion chromatogram (RIC) 294recording individual masses (SIM/MID) 233recoveries 432, 499reduction reactor 199redundancy filter 321, 327

713Subject Index

reference gas injection 204reference masses calibration 264reference spectra library search 332reference substances 313refractory methane 198remoxiprid 610reproducibility 63, 429, 452residual gas analysers 5residual monomers 465residual solvents 51residue analysis 8, 477resins 13resolution– capillary columns 130– chromatographic 140ff., 150– MS 167ff.– PAHs quantification 525– two dimensional gas chromatography 75 ff.resolving power 129, 167response factors 46, 223Restek capillary columns 122, 126restrictors 20retardation term 145retarding layers 643retention gap 113, 116retention index 309, 402retention times– capillary columns 129– chromatograms 138, 149, 293– clofibric acid 613– fast gas chromatography 71– library search 322– metabolites 595– MID 247– multi-residue method 499– nitrogen/phosphorus pesticides 479– open split coupling 275– pesticides 491– prostaglandins 598– SIM analysis 236retention volume 138, 150Retro-Diels-Alder cleavage 346reverse phase chromatograpy (RPC) 8, 9RFIT soil chromatogram 324f.Rhine water 51ricinine 621river water analysis 532rotating vane pumps 273rotational perforator 505RP-C18-material 611

rubber 409run time effects 72

�salting out 35sample characteristics 112, 118sample injection see injectionsample inlet systems 89ff.sample loop 37sample preparation 7ff., 32, 404sample quantity 54, 68sample vessels 53sampling 57 ff.– air 545– SPME 13sarin 392scan functions 232, 256scan inherent calibration 247scan modes 433, 445scan rates 395scanning device 5schematics– 2DGC-C-IRMS instrument 540– BSIA/CSIA isotope analysis 195– cryofocusing unit 116– ECD 155– ELCD 160– FID 152– FPD 162– hot split/splitless injector 97– HRMS MID calibration 248– injection headspace technique 38– ion trap analyser 180– magnetic sector mass spectrometer 175– MCSS device 89– multidimensional gas chromatography 82– NPD 153– open split coupling 274– PDD 163– PFE 27– phenoxycarboxylic acid analysis 612– PID 158– Pt foil pyrolyser 64– PTV 101– purge and trap systems 41– quadrupole mass spectrometer 178– TOF analyser 186– two dimensional gas chromatography 80– ultra fast cromatography 76 ff.schradan 501

714 Subject Index

screening– confirmation analysis 548– environmental components 625– toxicological-chemical analysis 607sealants 545sealing mechanism 94search for identical/similar compounds

(SISCOM) 320secbumeton 501sector mass spectrometers 84seepage water 433selected ion monitoring (SIM) 181, 231, 234– air 421– clofibric acid 611– MID 294– Rhine water 534– target compound analysis 477selected reaction monitoring (SRM) 253,

259, 489, 496selective detection techniques 1selective ion storage (SIS) 237, 236selective mass instability 6selectivity– chromatograms 144– ELCD 160– H-SRM mode 496– PID 160– stationary phases 128– steroid hormones 592– target compound analysis 477semivolatiles 28sensitivity– BTEX 429– drinking water 468– headspace technique 34, 53– mass spectroscopy 399– SIM analysis 233 ff.– target compound analysis 477separation– chromatograms 150– fast GC analysis 554– funnels 137– GC/MS 277– SPE 8– substance mixtures 2Sephadex colums 9septum caps bleeding 53septum-equipped programmable injector

(SPI) 104sequential pyrolysis 65

serum samples 590, 607sewage sludge sample analysis 559 f.SGE capillary columns 122, 127shaking frequencies 36signal/noise ratio 90– dichloroethylene 442– headspace GC/MS 430– mass chromatograms 295– military waste 576– MS/MS 251, 400– PAHs analysis 521– PTV 105– quadrupole analysers 173, 272– steroid hormones 592– target compound analysis 477significance weighting 321, 328silanised glass wool 104silica gel columns 9f., 44silicon– capillary columns 119– column bleed 408– contaminants 414– isotope pattern 338, 341siloxane-carborane 134simazine– acquisition parameters 479– mass spectra 368– multicomponent pesticide analysis 491– retention times 501simetryn 501similarity match values 188simultaneous determination, volatile

halogenated hydrocarbons 433 f.SISCOM (library search for identical/similar

compounds) 320,size exclusion chromatograpy (SEC) 9, 526smoke analysis 525sniffing devices 89soft drinks 625soil– air field analysis 461– chromatogram 322– MAGIC 60 analysis 446– PAHs analysis 521, 582– static headspace analysis 437solid phase extraction (SPE)– cannabis detection 589– clofibric acid 611– drinking water 467– multi-residue method 498

715Subject Index

– PAHs 521, 527– polycyclic musks 616– prostaglandins 596– sample preparation 8 ff.– water 508ff.solid phase microextraction (SPME) 3, 12 f.,

26, 534– PBBs 568– plungers 13– VOCS 437solubility 16 f., 118solution preparation (internal standard)

403solvent-free extraction techniques 12 f.solvents 8 ff.– boiling points 107– expansion volumes 110– PFE 26– PTV 105– sample injection 95 ff., 103soman 392sonication 27sovol 541soxhlet– extraction 15, 27– military waste 572– PAHs analysis 521– PCDD 25spargers 40spectra (pyrolysis) 67

see also mass spectraspectral subtraction 298 f., 302spectrometers 231spectrum display 335spiro molecular pumps 273split injection 62, 92, 96, 104f.splitless injection 92, 97– polycyclic musks 617– purge and trap/GC/MS systems 47squalene 412stainless steel 409, 422standard addition procedure 405standard deviations 46standard mean ocean water 205standardisation procedures 401static headspace chromatography (HSGC)

31static headspace technique 31, 49, 52– BTEX 429– volatile priority pollutants 437

stationary phases 118, 134statistical errors 90steel plunger 13stepper motor 89steroid hormones analysis 592stir bar sorptive extraction (SBSE) 15structural isomers 313structure postulate 336structure selective detection 259structures, dinitrophenol herbicides 509styrene– detection limits 441– headspace technique 36– MAGIC 60 analysis 448– mass spectra 357styrol 425substance classes 351substance exchange/transport 142substance identification chromatograms

297substance transport limits 17substituted alkylamines/alcohols 216substituted phenols 472substituted pyridines 217subtraction 298 f.sulfallate 500sulfides 215sulfotep 500sulfur– compound class 628– contaminants 411– FPD 161– isotope pattern 338, 341– proton affinities 216sulprofos 504SUMMA canister 421f.supelco 123, 127supercritical fluid extraction (SFE) 3, 8,

15 ff., 582surface model, adsorbents 55surface water– chloral hydrate 458– clofibric acid 613– herbicides 508– polycyclic musks 616surrogate standard 611swelling 21switching 229sympathomimetics 603syringe burette sampling 59

716 Subject Index

syringe injection 5, 13– headspace technique 37– on-column 112syringe needle 102syringe pump 18systematic toxicological-chemical

analysis 607

�T2-toxin 621tabun 392tandem mass spectrometry see MS/MStarget compound analysis 477TCDD traces 182, 224, 249TCMTB 503tebuconazole 492tebufenpyrad 492tebutan 479tecnacene 491, 500TEF 548Teflon (PTFE) 409temperature conversion elemental

analysers (TC/EA) 194temperature rise times (TRT) 64 f.temperature/time profile (TTP) 65temperature-programmed pyrolysis 65temperatures– BTEX determination 433– cryofocusing 117– PTV split injection 105– purge and trap systems 44– thermal extraction 68templated resins 13, 14Tenax 24, 55– calibration unit 61– BTEX determination 433– polychlorinated biphenyls 545– purge and trap systems 43f.TEQ 548, 554terbacil 480, 502terbufos 500terbumeton 479, 500terbuthylazine 501terbutryn 480, 501terbutylazine 369, 479terpenes 309, 628tetrachlorobenzyltoluene 181tetrachlorobiphenyl 379tetrachlorodibenzodioxin 169, 382tetrachlorodibenzofuran 382

tetrachloroethane– detection limits 441– MAGIC 60 analysis 448– partition coefficients34– purge and trap/GC/MS systems 51– recoveries 432tetrachloroethylene– breakthrough volumes 57– irm-GC/MS 452– ISTD 404– MAGIC 60 analysis 448– mass spectra 354– purge and trap/GC/MS systems 51– recoveries 432tetrachloromethane 452tetrachloromethoxybiphenyl 181tetrachlorvinphos 503tetradifon 493, 504tetrahydrocannabinol (THC) 583 ff., 589tetrahydrofuran 51tetramethrin 504tetrasul 503tetrazepam 608 ff.theophylline 610thermal conductivity detector 5thermal decomposition 112ff.thermal extraction 63 ff., 68thermal stability– adsorption material 54– injector system 112– mass spectra 370thermodesorption 3, 54 ff.– calibration 59 ff.– polychlorinated biphenyls 545– sampling tubes 58– soil air 461thermodynamic equilibrium 32thermolabile compounds 15, 18thermoscientific capillary columns 123,

127thermostatting 53, 59thick film column 421 f.thifluzamide 492thiobencarb 501thiophene 441thiophosphoric acid esters 371Thompson mass spectrometer 4three-dimensional data field 293tilidine 610time/response data 85

717Subject Index

time-of-flight (TOF) analysers 174, 183 ff.– MDGC 84– MS 168– TCDD isotope pattern 184– velocitron 4TMS derivatives (opiates) 587tolclofos-methyl 212, 491tolfenpyrad 493toluene– breakthrough volumes 57– detection limits 441– environmental components 626– headspace GC/MS 429– internal standard 403– ionisation potentials 158, 207– irm-GC/MS 452– ISTD 404– m/z values 237– MAGIC 60 analysis 448– mass spectra 355, 358 f.– military waste 572– PAHs analysis 523– partition coefficients34– PFE 27– purge and trap/GC/MS systems 51– recoveries 432– SFE 21– surface water 460toluol 425tolylfluanid 503total ion current chromatograms (TIC)

294, 546total petroleum hydrocarbons (TPH) 28total sample transfer 97, 102ff.Toxaphen 230toxicological-chemical analysis 607toxicology library 309toxins quantification 621trace analysis 7– benzene hexachloride 532– environmental components 625– injector system 112– PBBs 568trace metals 9tralomethrin 493tramadol 610transfer times 98traps 44, 84

see also purge and trap systemsTrennzahl number 150

triadimefon 312, 491, 502triadimenol 480, 503triallates 500triazines 368triazophos 492, 504tribufos 503tributyl phosphate 412trichloroaniline 539trichlorobenzenes 55, 441, 448trichlorobiphenyl 379trichloroethane– breakthrough volumes 57– detection limits 441– ISTD 404– MAGIC 60 analysis 448– purge and trap/GC/MS systems 51– recoveries 432trichloroethylene– breakthrough volumes 57– calibration unit 61– irm-GC/MS 452– ISTD 404– MAGIC 60 analysis 448– mass spectra 353– purge and trap/GC/MS systems 51– recoveries 432trichlorofluoromethane 405, 448trichloroiodobenzene 539trichloropropane 448trichothecene mycotoxins 621tricresyl phosphate 415triethylamine 51trifloxystrobin 492trifluoromethane 432trifluorotrichloroethane 353trifluralin 500trihexyphenidyl 610trimethylbenzene 405, 448trimethylnaphthalene 523, 627trimipramine 610trinitroaromatics 625, 628trinitrotoluene (TNT) 388, 572trioxan 51triphenylphosphines 414triple-quadrupole technique 6, 255Triton-X-100 14tube desorption 62turbo molecular pumps 271two dimensional gas chromatography

75 ff.

718 Subject Index

�Ugilec T 241ultra fast cromatography 74 f.uniconazole 492unit mass resolution 178universal mass spectral libraries 314unsaturated amines/anilines 216urine 586, 594 ff.

�vacuum systems 270 f.van Deemter curves 131 f., 148vaporiser 97vapour pressure 16Varian/Chrompak 123, 127vegetables 498velocitron 4vernolate 499verrucarol 622vinclozolin 501vinyl chloride– breakthrough volumes 57– drinking water 454– MAGIC 60 analysis 443, 448– mass spectra 353, 453viscosity 17, 166Viton seal 94Vocarb 55– calibration unit 61– chloral hydrate 458– drinking water 454– purge and trap systems 43ff.volatile halogenated hydrocarbons 50– air analysis 421ff.– internal standard 405– MAGIC 60 analysis 443– mass spectroscopy 351– simultaneous BTEX determination 433 f.– soil air 461volatile organic compounds (VOCs) 54 f.– air analysis 421ff.– headspace technique 39– irm-GC/MS 451– MAGIC 60 analysis 443– static headspace analysis 437volatile phosphoric acid esters 391volatile priority pollutants 437volatile substances 69, 112volatiles-in-food libraries 318volatility 2, 7VPDB/VSMOW references 205vulcanization facilitators 409

�warfare agents 371, 391 f.waste water– clofibric acid 615– PBBs 571– polycyclic musks 616water 199– air analysis 421f.– chloral hydrate 458– cleavage 345– clofibric acid 611– eluents 8– herbicides 505ff.– MAGIC 60 analysis 450– NCI 226– on-line SPE-GC/MS 532– PAHs analysis 521– PFE 27– polycyclic musks 616– protonation 218– purge and trap systems 47– SFE 21– SPME 534– static headspace analysis 437– trace analysis 625water-soluble samples 8waxes 629weighting, library search 321, 328WHO 548, 554wide pore colums 9Wiley Registry of Mass Spectral Data

316, 328

�XAD resins 55, 61XMC 491xylene– breakthrough volumes 57– detection limits 441– headspace GC/MS 429– ionisation potentials 158– ISTD 404– mass spectra 356 f.– partition coefficients34– purge and trap/GC/MS systems 51– recoveries 432xylol 425

�Zotepine 610

719Subject Index