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1. US20060265141 - Data processing/visualization method for two (multi) dimensional separation gas chromatography xmass spectrometry (GCxMS) technique with a two (multiply) dimensional separation concept as an example

Office
United States of America
Application Number 11409448
Application Date 21.04.2006
Publication Number 20060265141
Publication Date 23.11.2006
Grant Number 7447597
Grant Date 04.11.2008
Publication Kind B2
IPC
G06F 19/00
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
19Digital computing or data processing equipment or methods, specially adapted for specific applications
G01N 30/00
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
30Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography
G01N 37/00
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
37Details not covered by any other group of this subclass
G06F 17/40
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
FELECTRIC DIGITAL DATA PROCESSING
17Digital computing or data processing equipment or methods, specially adapted for specific functions
40Data acquisition and logging
CPC
G01N 30/8651
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
30Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography ; or field flow fractionation;
02Column chromatography
86Signal analysis
8651Recording, data aquisition, archiving and storage
G01N 30/463
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
30Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography ; or field flow fractionation;
02Column chromatography
26Conditioning of the fluid carrier; Flow patterns
38Flow patterns
46using more than one column
461with serial coupling of separation columns
463for multidimensional chromatography
G01N 30/72
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
30Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography ; or field flow fractionation;
02Column chromatography
62Detectors specially adapted therefor
72Mass spectrometers
G01N 2030/8854
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
30Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography ; or field flow fractionation;
02Column chromatography
88Integrated analysis systems specially adapted therefor, not covered by a single one of the groups G01N30/04 - G01N30/86
8809analysis specially adapted for the sample
884organic compounds
8854involving hydrocarbons
Y10T 436/11
YSECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
10TECHNICAL SUBJECTS COVERED BY FORMER USPC
TTECHNICAL SUBJECTS COVERED BY FORMER US CLASSIFICATION
436Chemistry: analytical and immunological testing
11Automated chemical analysis
Applicants ExxonMobil Research and Engineering Company
Inventors Wang Frank C.
Qian Kuangnan
Agents Purwin Paul E.
Priority Data 60678728 06.05.2005 US
Title
(EN) Data processing/visualization method for two (multi) dimensional separation gas chromatography xmass spectrometry (GCxMS) technique with a two (multiply) dimensional separation concept as an example
Abstract
(EN)

This invention is a data processing/visualization method which includes the software development and operation to apply to any multi-dimensional separation. The GC-MS analysis of diesel is an example to demonstrate this software development and operation. The steps of this method includes (1) displaying the total ion chromatogram obtained from a GC-MS experiment, (2) displaying each mass spectrum versus retention time, (3) selecting a normal paraffin family as the reference compound family for relative polarity display, (4) transforming every mass slice to line-up normal paraffin compound family in the same relative retention time (position), (5) rotating the axis to best display the two (multi) dimensional data.


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