An open system pyrolysis of a first hydrocarbon source rock sample obtained from a natural system is performed within a pyrolysis chamber by maintaining the pyrolysis chamber at a substantially constant temperature. Hydrocarbons are recovered from the pyrolysis chamber released by the first hydrocarbon source rock sample. A thermo-vaporization is performed within the pyrolysis chamber on the pyrolyzed sample at a substantially constant temperature. A first hydrocarbon expulsion efficiency of hydrocarbon source rock is determined. A second hydrocarbon rock sample is ground to a grain size less than or equal to or less than 250 micrometers. A second pyrolysis is performed on the ground hydrocarbon source rock sample by maintaining the chamber at a substantially constant temperature. A second hydrocarbon expulsion efficiency of the hydrocarbon source rock in the natural system is determined. The first hydrocarbon expulsion efficiency is verified using the second hydrocarbon expulsion efficiency.

Disclosed is a detection method for N-nitrosodimethylamine (NDMA) impurities, comprising: (1) obtaining a test solution containing a sample to be tested; and (2) detecting the test solution by means of gas chromatography-mass spectrometry to determine the content of an N-nitrosodimethylamine impurity in the sample. The method provided in the present invention has a good separating effect, a wide linear range, a high sensitivity and a good method durability, and can detect the content of N-nitrosodimethylamine (NDMA) in the sample rapidly and effectively.

A composition of a focused portion corresponding to a portion of a molecular ion is estimated as a partial composition based on a mass of the focused portion. An initial composition search range is modified based on the partial composition. A composition of the molecular ion is estimated as an overall composition based on a mass of the molecular ion under a modified composition search range. A way of modifying the composition search range may include a method for modifying a lower limit to a range of the number of atoms and a method for adding a new range of the number of atoms associated with a new chemical element.

An analysis method of performing an analysis on a sample containing a first substance and a second substance that has an influence on an analysis of the first substance in regard to a concentration of the first substance, includes performing an analysis on the sample in regard to the concentration of the first substance to obtain sample analysis data, and deriving a result of analysis in regard to a concentration of the first substance based on the sample analysis data and adjustment information that is set based on the influence.

In a quantitative determination device 10 for brominated flame-retardant compounds, a storage section 41 holds a relative response factor 411 representing a relationship of a measured intensity of a compared compound to that of a reference compound selected from target compounds. A standard-sample measurer 43 acquires the intensity of the reference compound by measuring a standard sample, using an analyzer 10, 20. A target-sample measurer 45 acquires the intensities of the reference and compared compounds by measuring a target sample, using the analyzer. A reference-compound quantity determiner 46 determines a quantitative value of the reference compound in the target sample. A compared-compound quantity determiner 47 determines a quantitative value of the compared compound based on the quantity of the reference compound in the standard sample, intensity of the reference compound acquired by the standard-sample measurer, intensity of the compared compound acquired by the target-sample measurer, and relative response factor of the compared compound.

Reagents and methods for obtaining a metabolite solution comprising a mass spectrometry compatible volatile salt or volatile compound.

A first mass spectrum including a fragment ion peak is generated under application of a first ionization method. A second mass spectrum including a molecular ion peak is generated under application of a second ionization method. These mass spectra are synthesized to generate a synthesized mass spectrum. On the synthesized mass spectrum, difference information, such as a mass difference and difference composition, is calculated between the molecular ion peak and the fragment ion peak.

A nucleophilic substitution reaction to crosslink cyclodextrin (CD) polymer with rigid aromatic groups, providing a high surface area, mesoporous CD-containing polymers (P-CDPs). The P-CDPs can be used for removing organic contaminants from water. By encapsulating pollutants to form well-defined host-guest complexes with complementary selectivities to activated carbon (AC) sorbents. The P-CDPs can rapidly sequester pharmaceuticals, pesticides, and other organic micropollutants, achieving equilibrium binding capacity in seconds with adsorption rate constants 15-200 times greater than ACs and nonporous CD sorbents. The CD polymer can be regenerated several times, through a room temperature washing procedure, with no loss in performance.

The invention relates to a method and apparatus for evaluating reaction molecular byproducts of pyrotechnic reactions. A closed calorimetry bomb holds pyrotechnic material, which is detonated by a charge. The calorimetry bomb is vented directly into a gas chromatography machine, where gas phase molecules are separated based on their polarity. The separated molecules are then injected into a mass spectrometer and characterized by their mass fragmentation. The remaining residual solids within the bomb are extracted and injected into a liquid chromatography instrument where they are separated by their polarity. The separated molecules are then injected into a mass spectrometer and characterized by their mass fragmentation pattern. The method provides a complete picture of the reaction pathways and products to aid in regulatory compliance of incorporating energetic materials into real-world applications, particularly those in the family of PFAS containing compositions.

A mass spectrometry device that is provided with an ionization unit and ionizes, by the ionization unit, a sample separated by a separation column, subjects the sample to mass separation and detect ions obtained in the mass separation, includes: a gas introduction unit that introduces a first gas obtained by vaporizing a liquid into the ionization unit using a second gas, wherein: the ionization unit ionizes the sample by reacting ions obtained by ionizing the first gas with the sample.