A Novel Approach for Elemental Composition Determination of Pharmaceuticals by
Accurate Mass Measurements and Isotope Pattern Recognition
Jianyao Wang, Wyeth Pharmaceuticals, 500 Arcola Road, Collegeville, PA 19426 Ming Gu and Yongdong Wang, Cerno Bioscience, 5 Science Park, Suite 13, New Haven 06511 Overview
Results and Discussion
¾Accurate Mass measurement and elemental ¾All the Data acquired in profile mode and AM Measurement of Diazepam
AM Measurement of Buspirone
Top 3 Hits of Isotope Pattern Matching
composition determination made available on C16H14N2OCl,[email protected]
Accurate Mass Spectral Calibration Approach) C14H12N5Cl,[email protected]
C15H14N4Cl,[email protected]
implemented in the MSIntegrity™ software from spectrometers for both mass and peak shape Infused standards of either Poly-Alanine or sodium trifluoroacetate for external calibration facilitated by isotope pattern recognition combined with internal calibration for highest Detailed Search Results
¾Demonstrated data including infusion and Elemental
Mass Errors
loop injection of drug standards and LC/MS ¾Loop injection of a drug mixture of diazepam Composition
RMSE Differentiation of Top 3 Hits
Top 1 - Top 2
Top 3 Hits of Isotope Pattern Matching
Top 1 – Top 3
¾LC/MS of the metabolites of rat microsome C21H32N5O3,[email protected]
C20H38N3FPS,[email protected]
C21H42NP2S,[email protected]
The determination of elemental composition for compounds is usually achieved by accurate mass (AM) measurements on high resolution ¾C18 column with gradient for separation of the metabolites of RM incubation of buspirone.
resolution TSQ, and FTMS. These instruments deliver mass accuracy in low ppms and greatly enhance specificity of the determination of Conclusions
Detailed Search Results
pharmaceutical molecules. However, more than Calibration and Elemental Composition
Determination Procedures
often the results of elemental composition Vendor SW Search Results
¾AM alone is not sufficient and may lead search are not unique with quite a few of Elemental
Mass Errors
accuracy. Obviously, AM measurements alone are not sufficient for the unique determination of the elemental composition of these molecules. We propose a novel approach to improve the determination of elemental compositions by combining the AM measurements and isotope ¾The novel algorithm makes it possible to


Imported drug list 111.xlsx

Name of the Drug Company Name Date of Issue Date of Expire License No. Renewal Date from/to Name of the Drug Company Name Date of Issue Date of Expire License No. Renewal Date from/to Zecuf Hony and Lemen Blavear ABC Pharma Services (Pvt) Name of the Drug Company Name Date of Issue Date of Expire License No. Renewal Date from/to Name of the D

Microsoft word - thebodyofthelongtide.doc

The Body of the Long Tide: Primary Respiration By Michael J. Shea PhD. Some of the world’s great religions postulate that there is more than one body or state of consciousness that we inhabit or share when conceived and born human. To contemplate the subtlety of the Long Tide and its effect in the soma, Primary Respiration, one must consider that it is a separate but interrelated bo

Copyright © 2011-2018 Health Abstracts