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Analysis of mercapturic acid conjugates of xenobiotic compounds using negative ionization and tandem mass spectrometry

✍ Scribed by A. Daniel Jones; Carl K. Winter; Michael H. Buonarati; H. J. Segall

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
701 KB
Volume
22
Category
Article
ISSN
1076-5174

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✦ Synopsis

Mass spectra of mercapturic acid conjugates of two xenobiotic products of lipid peroxidation (trans-4hydroxy-2hexenal and trans-4-hydroxy-2-nonenal) as well as conjugates of l,fdichloropropene, styrene oxide, 1,2naphthalene oxide and a-chlorotoluene were obtained using fast atom bombardment or negative chemical ionization. Fragmentation pathways were investigated using linked scan and mass-analyzed ion kinetic energy spectrometric techniques. Characteristics of the spectra obtained using different ionization and sample introduction techniques are compared. Deprotonated molecular ions of mercapturic acids gave simple daughter ion spectra, with the dominant mode of decomposition involving cleavage of C-S bonds giving a characteristic neutral loss of 129 Da. Screening for mercapturates in urine samples was performed using neutral loss scanning and yielded limits of detection in the low nanogram per milliliter range. Quantitative analysis of the S-benzyl mercapturic acid at 1 p.p.b. in urine has been demonstrated using combined gas chromatography/electron capture mass spectrometry with d3-S-benzyl mercapturic acid as internal standard.

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