Automated accurate mass data processing using a gas chromatograph/time-of-flight mass spectrometer in drug discovery

2005 ◽  
Vol 19 (11) ◽  
pp. 1492-1498 ◽  
Author(s):  
Chris Petucci ◽  
Larry Mallis
RSC Advances ◽  
2016 ◽  
Vol 6 (15) ◽  
pp. 11952-11958 ◽  
Author(s):  
Jing-Hui Lv ◽  
Xian-Yong Wei ◽  
Ying-Hua Wang ◽  
Tie-Min Wang ◽  
Jing Liu ◽  
...  

The structural features of Zhundong subbituminous coal were investigated by RICO and subsequent analysis with a gas chromatograph/mass spectrometer and an atmospheric pressure solid-analysis probe/time of flight-mass spectrometer.


2014 ◽  
Vol 16 (12) ◽  
pp. 2752-2757 ◽  
Author(s):  
Takahiro Anan ◽  
Shuichi Shimma ◽  
Yo Toma ◽  
Yasuyuki Hashidoko ◽  
Ryusuke Hatano ◽  
...  

The ability of simultaneous quantification of the gaseous compounds (CO2, N2O) emitted from soils within 1 minute have been demonstrated by using a fast gas chromatograph - multi-turn time-of-flight mass spectrometer.


2017 ◽  
Vol 23 (6) ◽  
pp. 385-392 ◽  
Author(s):  
Toshinobu Hondo ◽  
Kirk R Jensen ◽  
Jun Aoki ◽  
Michisato Toyoda

A simple, effective accurate mass assignment procedure for a time-of-flight mass spectrometer is desirable. External mass calibration using a mass calibration standard together with an internal mass reference (lock mass) is a common technique for mass assignment, however, using polynomial fitting can result in mass-dependent errors. By using the multi-turn time-of-flight mass spectrometer infiTOF-UHV, we were able to obtain multiple time-of-flight data from an ion monitored under several different numbers of laps that was then used to calculate a mass calibration equation. We have developed a data acquisition system that simultaneously monitors spectra at several different lap conditions with on-the-fly centroid determination and scan law estimation, which is a function of acceleration voltage, flight path, and instrumental time delay. Less than 0.9 mDa mass errors were observed for assigned mass to charge ratios ( m/z) ranging between 4 and 134 using only 40Ar+ as a reference. It was also observed that estimating the scan law on-the-fly provides excellent mass drift compensation.


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