Table 3.

Simultaneous determination of multiple mercapturic acids by LC/MS.

Parent compounds	Sample preparation	Chromatography	Interface/Detection	Target mercapturate	Validation population	Limit of Detection	Reference
multiple determination
PAH’s phenantherene	SPE	RP, gradient CHOOH/ACN	ESI/QQQ/SRM−	PheO-Nac d10-PheO-Nac	General population smokers and non-smokers	0.7 ηg/L	Upadhyaya et al., 2006
phenantherene diol-epoxide				PheDE-Nac ¹³C₆-PheDE- Nac		1.0 ηg/L	Hecht et al., 2008
benzo(a)pyrene				rev-BPDE-7- Nac Phe-9OH-Nac		1.0 ηg/L	Upadhyaya et al., 2010
multiple determination acrolein acrylamide dimethyl- formamide ethylene oxide propylene oxide	SPE	RP, gradient CHOOH/ACN	ESI/QQQ/MRM⁻	3-HPMA AAMA d₄-AAMA AMCC d₄-AMCC HEMA d₄-HEMA 2-HPMA	General population	5 μg/L 2.5 μg/L 5 μg/L 0.5 μg/L 5 μg/L	Schettgen et al., 2008b
multiple determination acrylonitrile 1,3 butadiene	RAM phase column switching	RP, gradient CHOOH/ACN	ESI/QQQ/MRM⁻	CEMA d₃-CEMA DHBMA d₇-DHBMA MHBMA d₆-MHBMA	General population	0.5 μg/L 5 μg/L 1 μg/L	Schettgen et al., 2009
multiple determination acrylonitrile ethylene oxide N-nitroso- dimethylamine	LLE/SPE/ PFBBr derivitization	RP, gradient CHOOH/ACN	ESI/QQQ/MRM⁺	CEMA d₃-CEMA HEMA d₄-HEMA MMA d₃-MMA	Smoking cessation study	0.2 μg/L 0.3 μg/L 1.4 μg/L	Scherer et al., 2010
multiple determination glycidol ethylene oxide propylene oxide acrolein 1,3 butadiene	SPE	HILIC, gradient NH₄CH₃COOH/ACN	ESI/QQQ/MRM⁻	DHPMA ¹³C₂- DHPMA HEMA d₄-HEMA 2-HPMA 3-HPMA d₃-3-HPMA DHBMA d₇-DHBMA MHBMA d₆-MHBMA	Workers	5.5 μg/L 4.4μg/L 7.0 μg/L 3.0 μg/L 4.5 μg/L 5.0 μg/L	Eckert el al., 2010
multiple determination crotonaldehyde styrene tetrachlorethylene trichlorethylene xylene	protein precipitation	RP, gradient NH₄CH₃COOH/ACN	ESI/QQQ/MRM⁻	HPMMA ²H₃-HPMMA PHEMA ¹³C₆- PHEMA TCVMA ¹³C₂-TCVMA 1,2 DCVMA ¹³C-²H₃ 1,2- DCVMA 2,2 DCVMA ¹³C-²H₃ 2,2- DCVMA DPMA ²H₃-DPMA	General population	1.3 μg/L 0.7 μg/L 3.0 μg/L 12.6 μg/L 6.5 μg/L 5.0 μg/L	Alwis et al., 2012

multiple determination benzene toluene xylene	SPE	RP, gradient CH₃COOH/MeOH	ESI/QQQ/MRM⁻	PMA d₅-PMA BMA d₅-BMA MBMA 2-HPMA	Urban traffic wardens	0.30 μg/L 0.35 μg/L 0.40 μg/L	Sabatini el al., 2008
multiple determination atrazine acetochlor alachlor metolachlor	SPE	RP, gradient CH₃COOH/ACN	APCI/QQQ/MRM⁻	AZMA ¹³C₃-AZMA ACMA ¹³C₆-ACMA ALMA ¹³C₆-ALMA MEMA ¹³C₆-MEMA	Men in a rural agrarian region	60 ηg/L 48 ηg/L 39 ηg/L 36 ηg/L	Norrgran et al., 2006

ACN: acetonitrile, APCI: atmospheric pressure chemical ionization, ESI: electrospray ionization, HILIC: hydrophilic interaction chromatography, MeOH: methanol, MRM: multiple reaction monitoring, N-acetyl-cys: N-acetyl-cysteine, PFBBr: pentafluorobenzyl bromide, RP: reversed phase, RP-WAX: mixed mode reversed phase-weak anionic interaction, SPE: solid phase extraction, QQQ: triple quadrupole