Genetic Algorithm Optimized Printed Circuit Board Ion Funnel Tandem Subambient Pressure Ionization with Nanoelectrospray (SPIN) for High Sensitivity Mass Spectrometry.

The SPIN tandem ion funnel (IF) structure allows for highly sensitive mass spectrometry due to reduced ion losses in the interface region and during transmission; however, IF has an inherent mass discrimination problem, which can greatly restrain the ion transmission efficiency (TE) and therefore requires certain optimization methods. Conventional optimization methods ignore the combined effects of multiple IF characteristic parameters (electrical and dimensional parameters) and are unable to achieve efficient ion transmission over a wide mass range, thus requiring significant tuning time. In this paper, a genetic algorithm (GA)-optimized printed circuit board ion funnel (PCBIF) was designed, fabricated, preliminarily evaluated, and integrated into the SPIN interface to address the ion loss that can occur when mass spectrometers transfer ions at subambient pressure. Simulation studies have showed clearly that the effective automated GA can increase the PCBIF optimization, design, and the ion TE (finding the optimal characteristic parameters within 4 h and achieving 96% ion TE for ions with m/z between 50 and 700). Preliminary tests on built SPIN-PCBIF-MS can lead to an LOD of 0.01 nM and also indirectly suggest the effectiveness of the GA-optimized PCBIF. The proposed GA method helps to guide the design of IF and can also be used for other multivariate mass analyzers or ion transmission devices.

[1]  Xiang Fang,et al.  Synchronized Reverse Scan Collision Induced Dissociation in Digital Ion Trap Mass Spectrometer for Improving Fragment Ion Detection. , 2022, Analytical chemistry.

[2]  Weiguo Wang,et al.  Hexapole-Assisted Continuous Atmospheric Pressure Interface for a High-Pressure Photoionization Miniature Ion Trap Mass Spectrometer. , 2022, Analytical chemistry.

[3]  Keqi Tang,et al.  A new ion funnel for improving the transmission of low mass ions , 2021, International Journal of Mass Spectrometry.

[4]  S. Wright,et al.  Shock-free ion transmission in a skimmer-based MEMS mass spectrometer vacuum interface , 2021, Journal of Micromechanics and Microengineering.

[5]  D. Xiao,et al.  Ambient Pressure Ion Funnel: Concepts, Simulations, and Analytical Performance. , 2020, Analytical chemistry.

[6]  D. Emerson,et al.  Numerical Simulation of Flow Field and Ion Transport for Different Ion Source Sampling Interfaces of a Mass Spectrometer. , 2020, Journal of the American Society for Mass Spectrometry.

[7]  J. Town,et al.  Automatic peak assignment and visualisation of copolymer mass spectrometry data using the ‘genetic algorithm’ , 2019, Rapid communications in mass spectrometry : RCM.

[8]  S. Zimmermann,et al.  A Simple Printed Circuit Board–Based Ion Funnel for Focusing Low m/z Ratio Ions with High Kinetic Energies at Elevated Pressure , 2019, Journal of the American Society for Mass Spectrometry.

[9]  Jiana Duan,et al.  An Automated, High-Throughput Method for Interpreting the Tandem Mass Spectra of Glycosaminoglycans , 2018, Journal of The American Society for Mass Spectrometry.

[10]  Qi Guo,et al.  Recent developments of miniature ion trap mass spectrometers , 2017, Chinese Chemical Letters.

[11]  K. Ni,et al.  Developing a Vacuum Electrospray Source To Implement Efficient Atmospheric Sampling for Miniature Ion Trap Mass Spectrometer. , 2017, Analytical chemistry.

[12]  H. Löhmannsröben,et al.  Subambient pressure electrospray ionization ion mobility spectrometry , 2017, International Journal for Ion Mobility Spectrometry.

[13]  Yehia M. Ibrahim,et al.  Ion Elevators and Escalators in Multilevel Structures for Lossless Ion Manipulations. , 2017, Analytical chemistry.

[14]  Zane Baird Manipulation and Characterization of Electrosprayed Ions Under Ambient Conditions: Methods and Instrumentation , 2016 .

[15]  Pawel L. Urban,et al.  Clarifying Misconceptions about Mass and Concentration Sensitivity , 2016 .

[16]  H. Borsdorf,et al.  Ion transfer from an atmospheric pressure ion funnel into a mass spectrometer with different interface options: Simulation-based optimization of ion transmission efficiency. , 2016, Rapid communications in mass spectrometry : RCM.

[17]  D. Austin,et al.  Simulations of electrode misalignment effects in two-plate linear ion traps , 2015 .

[18]  K. Ni,et al.  Design and study of an atmospheric pressure ion funnel by computer simulations. , 2015, Rapid communications in mass spectrometry : RCM.

[19]  B. Chait,et al.  Maximizing Ion Transmission from Atmospheric Pressure into the Vacuum of Mass Spectrometers with a Novel Electrospray Interface , 2015, Journal of The American Society for Mass Spectrometry.

[20]  Yehia M. Ibrahim,et al.  Rectangular Ion Funnel: A New Ion Funnel Interface for Structures for Lossless Ion Manipulations , 2014, Analytical chemistry.

[21]  Richard D. Smith,et al.  Improving the Sensitivity of Mass Spectrometry by Using a New Sheath Flow Electrospray Emitter Array at Subambient Pressures , 2014, Journal of The American Society for Mass Spectrometry.

[22]  Liang Wang,et al.  Printed circuit board ion trap mass analyzer: its structure and performance. , 2013, Analytical chemistry.

[23]  Gordon W. Slysz,et al.  Improving N-glycan coverage using HPLC-MS with electrospray ionization at subambient pressure. , 2012, Analytical chemistry.

[24]  Richard D. Smith,et al.  Improving Liquid Chromatography-Mass Spectrometry Sensitivity Using a Subambient Pressure Ionization with Nanoelectrospray (SPIN) Interface , 2011, Journal of the American Society for Mass Spectrometry.

[25]  M. Oss,et al.  Electrospray ionization efficiency scale of organic compounds. , 2010, Analytical chemistry.

[26]  Richard D. Smith,et al.  Simulation of ion motion in FAIMS through combined use of SIMION and modified SDS. , 2009, Analytical chemistry.

[27]  Ryan T Kelly,et al.  The ion funnel: theory, implementations, and applications. , 2009, Mass spectrometry reviews.

[28]  Yehia M. Ibrahim,et al.  Improving mass spectrometer sensitivity using a high-pressure electrodynamic ion funnel interface , 2006, Journal of the American Society for Mass Spectrometry.

[29]  Keqi Tang,et al.  Theoretical and experimental evaluation of the low m/z transmission of an electrodynamic ion funnel , 2006, Journal of the American Society for Mass Spectrometry.

[30]  Gerrit C. Groenenboom,et al.  New applications of the genetic algorithm for the interpretation of high-resolution spectra , 2004, Canadian Journal of Chemistry.

[31]  Alexander V. Karpov,et al.  Genetic Algorithm for Voltage Optimization of Gridless Ion Mirror , 2015 .

[32]  Yehia M. Ibrahim,et al.  Improved ion optics for introduction of ions into a 9.4-T Fourier transform ion cyclotron resonance mass spectrometer. , 2015, Journal of mass spectrometry : JMS.

[33]  Richard D. Smith,et al.  On the Ionization and Ion Transmission Efficiencies of Different ESI-MS Interfaces , 2014, Journal of The American Society for Mass Spectrometry.