By Ray H. Liu
The research of substances and their metabolites in organic media at the moment are anticipated to repeatedly in attaining ± 20% accuracy within the ng/mL focus point. consequently, the provision and the choice of caliber ion-pairs designating the analytes and their isotopically categorized analogs (ILAs) are vital concerns achieve the accuracy of quantitation effects. aiding scientists with this procedure, Quantitation and Mass Spectrometric information of substances and Isotopically categorized Analogs offers an exceptionally precious reference for labs all in favour of the research of healing and abused medicines. half one in every of this accomplished quantity illustrates ways, mechanisms, and demanding situations referring to using isotopic analogs as inner criteria for drug quantitation. the second one part is a scientific compilation of full-scan mass spectra of substances and their analogs, as mother or father compounds and as derivatives caused by a number of chemical derivatization methods, as a rule encountered in today’s labs. in keeping with the mass spectra info awarded within the moment part, half 3 presents corresponding tables of ion-pairs that could in all likelihood be tailored to designate the medication and their isotopic analogs within the analytical procedures. Relative caliber of those ion-pairs (cross-contribution to the depth of those ions by means of their isotopic analogs) is integrated in those tables. With greater than 1500 full-scan mass spectra and easy access facts tables, this article represents the authors’ years of labor compiling mass spectra of the numerous chemical derivatization kinds of medicines, their metabolites, and their isotopically classified opposite numbers. The exceptional scope of this compilation makes it a severe one-stop reference for these excited by drug analyses of organic specimens and interpretation of effects.
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Additional resources for Quantitation and Mass Spectrometric Data of Drugs and Isotopically Labeled Analogs
Sample text
An approach for evaluating the accuracy of a set of specific CC data has been presented; however, the CC data summarized in Appendix Two have not been systematic validated. Full-scan mass spectra compiled in Appendix One represent the most comprehensive collection of mass spectra for these drugs and their isotopic analogs in various chemical derivatization forms. Comprehensive listings of CC data shown in Appendix Two should save an enormous amount of time and efforts for practicing laboratories in their search for this analytical parameter to establish optimal quantitation protocols.
76 Figure I-5. Mass spectra of MDA and its deuterated analogs (MDA-d5): (A) underivatized; (B) acetyl-derivatized; (C) TCA-derivatized; (D) TFA-derivatized; (E) PFP-derivatized; (F) HFB-derivatized; (G) 4-CB-derivatized; (H) PFBderivatized; (I) propylformyl-derivatized; (J,K) l-TPC-derivatized; (L,M) l-MTPA-derivatized; (N) TMS-derivatized; (O) TFA/t-BDMS-derivatized; (P) PFP/t-BDMS-derivatized; (Q) HFB/t-BDMS-derivatized ........................................................... 82 Figure I-6.
The mass spectra for various forms of derivatives for methamphetamine are similarly grouped and presented in Figure I-2 (pp 57–71). Many of the mass spectra included in Appendix One have not been published in literature generally available to the scientific community. Certainly, they have not been systematically compiled as presented here and, therefore, should be of routine reference value to laboratories engaged in drug analysis. C. Ion Intensity Cross-Contribution Data (Appendix Two, pp 373–492) The second set of data (ion intensity CC data), as presented in Part Three of this book in table format, are pairs of ions with potential for designating the drugs and their ILAs.