title: An accelerated background subtraction algorithm for processing high-resolution MS data and its application to metabolite identification.
abstract: BACKGROUND
  Metabolite identification without radiolabeled compound is often challenging because of interference of matrix-related components.
  
  
  RESULTS
  A novel and an effective background subtraction algorithm (A-BgS) has been developed to process high-resolution mass spectral data that can selectively remove matrix-related components. The use of a graphics processing unit with a multicore central processing unit enhanced processing speed several 1000-fold compared with a single central processing unit. A-BgS algorithm effectively removes background peaks from the mass spectra of biological matrices as demonstrated by the identification of metabolites of delavirdine and metoclopramide.
  
  
  CONCLUSIONS
  The A-BgS algorithm is fast, user friendly and provides reliable removal of matrix-related ions from biological samples, and thus can be very helpful in detection and identification of in vivo and in vitro metabolites.
authors.affiliation: Department of Drug Metabolism & Pharmacokinetics, Takeda Pharmaceuticals International Co., 35 Landsdowne Street, Cambridge, MA, USA.
authors.forename: Venkateswaran
authors.initials: V
authors.lastname: Shekar
authors.affiliation: Department of Drug Metabolism & Pharmacokinetics, Takeda Pharmaceuticals International Co., 35 Landsdowne Street, Cambridge, MA, USA.
authors.forename: Abhi
authors.initials: A
authors.lastname: Shah
authors.affiliation: Department of Drug Metabolism & Pharmacokinetics, Takeda Pharmaceuticals International Co., 35 Landsdowne Street, Cambridge, MA, USA.
authors.forename: Mohammad
authors.initials: M
authors.lastname: Shadid
authors.affiliation: Department of Drug Metabolism & Pharmacokinetics, Takeda Pharmaceuticals International Co., 35 Landsdowne Street, Cambridge, MA, USA.
authors.forename: Jing-Tao
authors.initials: JT
authors.lastname: Wu
authors.affiliation: Department of Drug Metabolism & Pharmacokinetics, Takeda Pharmaceuticals International Co., 35 Landsdowne Street, Cambridge, MA, USA.
authors.forename: Jayaprakasam
authors.initials: J
authors.lastname: Bolleddula
authors.affiliation: Department of Drug Metabolism & Pharmacokinetics, Takeda Pharmaceuticals International Co., 35 Landsdowne Street, Cambridge, MA, USA.
authors.forename: Swapan
authors.initials: S
authors.lastname: Chowdhury
mesh_terms: D000465:Algorithms; D000818:Animals; D001646:Bile / Q000378:metabolism; D002851:Chromatography, High Pressure Liquid / Q000191:economics / Q000379:methods; D020008:Delavirdine / Q000097:blood / Q000378:metabolism* / Q000652:urine; D065127:Dopamine D2 Receptor Antagonists / Q000097:blood / Q000378:metabolism* / Q000652:urine; D013058:Mass Spectrometry / Q000191:economics / Q000379:methods*; D008787:Metoclopramide / Q000097:blood / Q000378:metabolism* / Q000652:urine; D008862:Microsomes, Liver / Q000378:metabolism; D051381:Rats; D018894:Reverse Transcriptase Inhibitors / Q000097:blood / Q000378:metabolism* / Q000652:urine; D013997:Time Factors
chemical_list: D065127:Dopamine D2 Receptor Antagonists; D018894:Reverse Transcriptase Inhibitors; D020008:Delavirdine; D008787:Metoclopramide
keywords: A-BgS; background subtraction; matrix interference; metabolite identification