Autonomous in situ analysis and real-time chemical detection using a backpack miniature mass spectrometer: concept, instrumentation development, and performance.

A major design objective of portable mass spectrometers is the ability to perform in situ chemical analysis on target samples in their native states in the undisturbed environment. The miniature instrument described here is fully contained in a wearable backpack (10 kg) with a geometry-independent low-temperature plasma (LTP) ion source integrated into a hand-held head unit (2 kg) to allow direct surface sampling and analysis. Detection of chemical warfare agent (CWA) simulants, illicit drugs, and explosives is demonstrated at nanogram levels directly from surfaces in near real time including those that have complex geometries, those that are heat-sensitive, and those bearing complex sample matrices. The instrument consumes an average of 65 W of power and can be operated autonomously under battery power for ca. 1.5 h, including the initial pump-down of the manifold. The maximum mass-to-charge ratio is 925 Th with mass resolution of 1-2 amu full width at half-maximun (fwhm) across the mass range. Multiple stages of tandem analysis can be performed to identify individual compounds in complex mixtures. Both positive and negative ion modes are available. A graphical user interface (GUI) is available for novice users to facilitate data acquisition and real-time spectral matching.

[1]  R. Cooks,et al.  Characterization of a discontinuous atmospheric pressure interface. Multiple ion introduction pulses for improved performance , 2009 .

[2]  W. Xu,et al.  Sampling wand for an ion trap mass spectrometer. , 2011, Analytical chemistry.

[3]  Nicholas E. Manicke,et al.  Quantitative Analysis of Therapeutic Drugs in Dried Blood Spot Samples by Paper Spray Mass Spectrometry: An Avenue to Therapeutic Drug Monitoring , 2011, Journal of the American Society for Mass Spectrometry.

[4]  R. Cooks,et al.  Detection of explosives as negative ions directly from surfaces using a miniature mass spectrometer. , 2010, Analytical chemistry.

[5]  A. Lebedev Environmental mass spectrometry. , 2013, Annual review of analytical chemistry.

[6]  Alan G. Marshall,et al.  Stored waveform inverse Fourier transform (SWIFT) ion excitation in trapped-ion mass spectometry: Theory and applications , 1996 .

[7]  W. Whitten,et al.  Theory of high-resolution mass spectrometry achieved via resonance ejection in the quadrupole ion trap , 1992 .

[8]  R. N. Stillwell,et al.  New picogram detection system based on a mass spectrometer with an external ionization source at atmospheric pressure , 1973 .

[9]  Qingyu Song,et al.  Handheld rectilinear ion trap mass spectrometer. , 2006, Analytical chemistry.

[10]  M. Wilm,et al.  Electrospray and Taylor-Cone theory, Dole's beam of macromolecules at last? , 1994 .

[11]  G. Glish,et al.  Competition between resonance ejection and ion dissociation during resonant excitation in a quadrupole ion trap , 1994, Journal of the American Society for Mass Spectrometry.

[12]  Bernhard Spengler,et al.  In situ, real-time identification of biological tissues by ultraviolet and infrared laser desorption ionization mass spectrometry. , 2011, Analytical chemistry.

[13]  R. Cooks,et al.  Ambient mass spectrometry using desorption electrospray ionization (DESI): instrumentation, mechanisms and applications in forensics, chemistry, and biology. , 2005, Journal of mass spectrometry : JMS.

[14]  Jesse A. Contreras,et al.  Hand-portable gas chromatograph-toroidal ion trap mass spectrometer (GC-TMS) for detection of hazardous compounds , 2008, Journal of the American Society for Mass Spectrometry.

[15]  Mo Yang,et al.  Development of a palm portable mass spectrometer , 2008, Journal of the American Society for Mass Spectrometry.

[16]  G. Mezey,et al.  Real time analysis of brain tissue by direct combination of ultrasonic surgical aspiration and sonic spray mass spectrometry. , 2011, Analytical chemistry.

[17]  R. March,et al.  Quadrupole ion trap mass spectrometry , 2005 .

[18]  Zheng Ouyang,et al.  Miniature mass spectrometers. , 2009, Annual review of analytical chemistry.

[19]  Nicholas A. Charipar,et al.  Detection of explosives and related compounds by low-temperature plasma ambient ionization mass spectrometry. , 2011, Analytical chemistry.

[20]  R. March,et al.  Quadrupole Ion Trap Mass Spectrometry: March/Quadrupole Ion Trap Mass Spectrometry , 2005 .

[21]  Zheng Ouyang,et al.  Miniature cylindrical ion trap mass spectrometer. , 2002, Analytical chemistry.

[22]  Zheng Ouyang,et al.  Breaking the pumping speed barrier in mass spectrometry: discontinuous atmospheric pressure interface. , 2008, Analytical chemistry.

[23]  Henric Östmark,et al.  Vapor Pressure of Explosives: A Critical Review , 2012 .

[24]  G. Wilkinson,et al.  Drug metabolism and variability among patients in drug response. , 2005, The New England journal of medicine.

[25]  T. Cornish,et al.  Suitcase TOF: A Man-Portable Time-of-Flight Mass Spectrometer , 2004 .

[26]  R. Cooks,et al.  Biological tissue diagnostics using needle biopsy and spray ionization mass spectrometry. , 2011, Analytical chemistry.

[27]  Zheng Ouyang,et al.  Low-temperature plasma probe for ambient desorption ionization. , 2008, Analytical chemistry.

[28]  S. A. McLuckey Principles of collisional activation in analytical mass spectrometry , 1992, Journal of the American Society for Mass Spectrometry.

[29]  W. E. Reynolds,et al.  Recent improvements in and analytical applications of advanced ion trap technology , 1984 .

[30]  Zheng Ouyang,et al.  Design and characterization of a multisource hand-held tandem mass spectrometer. , 2008, Analytical chemistry.

[31]  R. Cooks,et al.  Instrumentation, applications, and energy deposition in quadrupole ion-trap tandem mass spectrometry , 1987 .

[32]  Zheng Ouyang,et al.  Paper spray for direct analysis of complex mixtures using mass spectrometry. , 2010, Angewandte Chemie.

[33]  R. Cooks,et al.  Facility monitoring of toxic industrial compounds in air using an automated, fieldable, miniature mass spectrometer. , 2010, The Analyst.

[34]  Zheng Ouyang,et al.  Rectilinear ion trap: concepts, calculations, and analytical performance of a new mass analyzer. , 2004, Analytical chemistry.

[35]  D. Moore Instrumentation for trace detection of high explosives , 2004 .