PTRwid: A new widget tool for processing PTR-TOF-MS data

被引:83
作者
Holzinger, R. [1 ]
机构
[1] Univ Utrecht, IMAU, Inst Marine & Atmospher Res, Utrecht, Netherlands
关键词
PROTON-TRANSFER-REACTION; TIME-OF-FLIGHT; VOLATILE ORGANIC-COMPOUNDS; MASS-SPECTROMETRY; AEROSOL; ATMOSPHERE;
D O I
10.5194/amt-8-3903-2015
中图分类号
P4 [大气科学(气象学)];
学科分类号
0706 ; 070601 ;
摘要
PTRwid is a fast and user friendly tool that has been developed to process data from proton-transfer-reaction time-of-flight mass spectrometers (PTR-TOF-MS) that use HTOF (high-resolution time-of-flight) mass spectrometers from Tofwerk AG (Switzerland). PTRwid is designed for a comprehensive evaluation of whole laboratory or field-based studies. All processing runs autonomously, and entire laboratory or field campaigns can, in principle, be processed with a few mouse clicks. Unique features of PTRwid include (i) an autonomous and accurate mass scale calibration, (ii) the computation of a "unified mass list" that - in addition to a uniform data structure - provides a robust method to determine the precision of attributed peak masses, and (iii) fast data analysis due to well considered choices in data processing.
引用
收藏
页码:3903 / 3922
页数:20
相关论文
共 18 条
[1]   Proton Transfer Reaction Time-of-Flight Mass Spectrometric (PTR-TOF-MS) determination of volatile organic compounds (VOCs) emitted from a biomass fire developed under stable nocturnal conditions [J].
Brilli, Federico ;
Gioli, Beniamino ;
Ciccioli, Paolo ;
Zona, Donatella ;
Loreto, Francesco ;
Janssens, Ivan A. ;
Ceulemans, Reinhart .
ATMOSPHERIC ENVIRONMENT, 2014, 97 :54-67
[2]   On Quantitative Determination of Volatile Organic Compound Concentrations Using Proton Transfer Reaction Time-of-Flight Mass Spectrometry [J].
Cappellin, Luca ;
Karl, Thomas ;
Probst, Michael ;
Ismailova, Oksana ;
Winkler, Paul M. ;
Soukoulis, Christos ;
Aprea, Eugenio ;
Maerk, Tilmann D. ;
Gasperi, Flavia ;
Biasioli, Franco .
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2012, 46 (04) :2283-2290
[3]   Extending the dynamic range of proton transfer reaction time-of-flight mass spectrometers by a novel dead time correction [J].
Cappellin, Luca ;
Biasioli, Franco ;
Schuhfried, Erna ;
Soukoulis, Christos ;
Maerk, Tilmann D. ;
Gasperi, Flavia .
RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 2011, 25 (01) :179-183
[4]   An introduction to quadrupole-time-of-flight mass spectrometry [J].
Chernushevich, IV ;
Loboda, AV ;
Thomson, BA .
JOURNAL OF MASS SPECTROMETRY, 2001, 36 (08) :849-865
[5]   High Resolution PTR-TOF: Quantification and Formula Confirmation of VOC in Real Time [J].
Graus, Martin ;
Mueller, Markus ;
Hansel, Armin .
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 2010, 21 (06) :1037-1044
[6]   Chemical evolution of organic aerosol in Los Angeles during the CalNex 2010 study [J].
Holzinger, R. ;
Goldstein, A. H. ;
Hayes, P. L. ;
Jimenez, J. L. ;
Timkovsky, J. .
ATMOSPHERIC CHEMISTRY AND PHYSICS, 2013, 13 (19) :10125-10141
[7]   Analysis of the chemical composition of organic aerosol at the Mt. Sonnblick observatory using a novel high mass resolution thermal-desorption proton-transfer-reaction mass-spectrometer (hr-TD-PTR-MS) [J].
Holzinger, R. ;
Kasper-Giebl, A. ;
Staudinger, M. ;
Schauer, G. ;
Rockmann, T. .
ATMOSPHERIC CHEMISTRY AND PHYSICS, 2010, 10 (20) :10111-10128
[8]   Aerosol analysis using a Thermal-Desorption Proton-Transfer-Reaction Mass Spectrometer (TD-PTR-MS): a new approach to study processing of organic aerosols [J].
Holzinger, R. ;
Williams, J. ;
Herrmann, F. ;
Lelieveld, J. ;
Donahue, N. M. ;
Rockmann, T. .
ATMOSPHERIC CHEMISTRY AND PHYSICS, 2010, 10 (05) :2257-2267
[9]   A high resolution and high sensitivity proton-transfer-reaction time-of-flight mass spectrometer (PTR-TOF-MS) [J].
Jordan, A. ;
Haidacher, S. ;
Hanel, G. ;
Hartungen, E. ;
Maerk, L. ;
Seehauser, H. ;
Schottkowsky, R. ;
Sulzer, P. ;
Maerk, T. D. .
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2009, 286 (2-3) :122-128
[10]   Production of methyl vinyl ketone and methacrolein via the hydroperoxyl pathway of isoprene oxidation [J].
Liu, Y. J. ;
Herdlinger-Blatt, I. ;
McKinney, K. A. ;
Martin, S. T. .
ATMOSPHERIC CHEMISTRY AND PHYSICS, 2013, 13 (11) :5715-5730