The invention relates to a method and a system for analyzing rare gases present in a gaseous fluid (1). According to the invention, initially, the rare gases are extracted from the gaseous fluid by trapping by means of a getterizing substrate (5), then superconcentration of the rare gases is produced before injection (8) into the measuring instruments (9). By virtue of the invention, it is possible to increase the partial pressure of the rare gases in the gases to be analyzed before their injection into the analysis instruments.

When performing an analysis of the difference between a specific sample group and a nonspecific sample group, a principle component analysis processing unit (33) performs principle component analysis on a collection of a plurality of mass spectrums created from data obtained for a single specific sample, and a characteristic spectrum acquisition unit (34) acquires a characteristic spectrum for each of a plurality of principle components using factor loadings. A spectrum similarity calculation unit (35) calculates the similarities between all mass spectrums and the characteristic spectrum for each sample, and obtains a representative value for the same. The similarity representative value for each sample is obtained for all the characteristic spectrums. A difference determination unit (36) checks whether there is a significant difference between the distribution of the similarity representative values of the specific sample group and the distribution of the similarity representative values of the nonspecific sample group and determines that the characteristic spectrum which is the source of the similarities having a significant difference is a difference spectrum. The difference spectrum reflects component information characterizing a sample group difference, so a component identification unit (37) searches for the difference spectrum in a library to identify a component. This makes it possible to perform different analysis without performing spectrum peak detection.

A process for identifying an unknown compound in a sample includes matching a peak in a primary Fourier Transform Infrared spectral region of the sample spectrum with reference spectra in the same spectral region to generate an initial list of potential candidates, based, for example on goodness of fit criteria. The initial list can be reduced by retention time information and/or global peak matching techniques that analyze the sample spectrum in regions outside the primary region.

The present specification relates to a method for analyzing deuterated benzene by gas chromatography, and preparing a deuterated compound using deuterated benzene selected based on the analyzed data.

A method comprises: obtaining, from a series of mass spectra including a most recent mass spectrum and a plurality of previously-acquired mass spectra, an elution profile comprising a plurality of detection points each representing intensity of ions accumulated over an accumulation time and detected by a detector as a function of time; classifying, based on a subset of detection points included in the plurality of detection points, a current signal state of the elution profile; and setting, for a next acquisition of a mass spectrum, the accumulation time based on the classified current signal state of the elution profile.

The present invention provides biomarkers for sensitive, specific, accurate and quantitative diagnosis and assessment of chronic hypoxia. In particular, the present invention provides 2-hydroxyglutarate as a biomarker that is differentially produced in chronic hypoxia. Furthermore, embodiments of the invention are able to differentiate between chronic and acute hypoxia. Assays for levels of 2-hydroxyglutarate may be used alone or in conjunction with additional biomarkers of hypoxia to increase the precision of analysis. In particular embodiments of the invention, the level of 2-hydroxyglutarate and at least one second biomarker may be assayed to generate a hypoxic profile that can be compared to a reference or control profile, thereby diagnosing a subject as normoxic, chronically hypoxic, or acutely hypoxic.

A method of ionising a sample is disclosed comprising performing an initial experiment comprising: (i) adding one or more reagents to an analyte sample; (ii) varying the composition and/or concentration of the one or more reagents; (iii) ionising the analyte sample including the one or more reagents; (iv) determining the composition and/or concentration of the one or more reagents which results in a desired, improved or optimised ionisation or other condition or parameter for one or more analytes of interest; and (v) determining one or more first retention times or one or more first retention time windows for the one or more analytes of interest. The method then further comprises separating an analyte sample using a first separation device and during the course of a single experimental run or acquisition varying the composition and/or concentration of one or more reagents which are added to an eluent which emerges from the first separation device. The composition and/or concentration of the one or more reagents which are added to the eluent is varied at the one or more the first retention times or during the one or more the first retention time windows so that an ionisation or other condition or parameter for the one or more analytes of interest is as desired or is improved or optimised.

A method for analysing an aliphatic compound by mass spectrometry which comprises: (i) ionising an aliphatic compound in the presence of a heterocyclic modifier; and (ii) mass analysing the resulting ions to obtain mass spectrometric data.

Systems and methods include a computer-implemented method for analyzing petroleum samples. Different boiling curves are received that are calculated for a petroleum sample using different analytical speciation techniques. The boiling curves include: 1) a detailed hydrocarbon analysis (DHA) is used for a speciation of light-end components of the petroleum sample; 2) a comprehensive 2-dimensional (2D) gas chromatography (GCxGC) is used for a speciation of a middle distillates range of the petroleum sample; and 3) a high-resolution mass spectrometry is used for a speciation of heavy-end components of the petroleum sample. A compositional coverage of the different analytical speciation techniques for the petroleum samples is determined using the different boiling curves. Each of the different analytical speciation techniques covers a different boiling range and produces a compositional model modeling a breakdown of components in the petroleum sample by carbon number, aromatic ring family, and heteroatom class.

A distributable sampling and sensing instrument for chemical analysis of consumable foods and other agricultural products. The distributable sampling system is used to separate and concentrate the chemicals of interest obtained from samples at remote locations via thermal desorption onto a detachable target substrate that can be analyzed on-site or off-site. The volatile components adsorbed onto the target substrate can be analyzed with specific sensors (e.g., electrochemical sensors) or the assembly can be sent to a central lab and analyzed with conventional chemical instrumentation (e.g., GC-MS). This instrument provides the capability to enable chemical analysis of a wide range of chemical species of interest in a wide range of environments and conditions.