A method for detecting and analyzing olefins in petroleum by electrospray ionization mass spectrometry can include obtaining a hydrocarbon sample comprising at least about 90 wt % of saturate compounds; producing a solution comprising the hydrocarbon sample and a metal salt, the metal salt comprising a metal ion; forming olefin-metal ion complexes by electrospray ionization; and detecting the olefin-metal ion complexes using mass spectrometry.

A method identifies the molecular structure of each component in a multicomponent mixture. The method includes (1) subjecting the multicomponent mixture to mass spectrometry to identify the formula of a molecule attributed to each obtained peak, and to identify abundance of the molecule; (2) subjecting the multicomponent mixture to collision induced dissociation; (3) performing mass spectrometry on each fragment ion generated via the collision induced dissociation in (2) to identify the core structure forming each fragment ion and abundance thereof; (4) dividing the molecules attributed to each peak in (1) into “classes” based on “a type and number of heteroatoms, and a DBE value”, and on all the molecules belonging to each “class”, estimating the existence state and abundance thereof; and (5) determining the core structure forming each molecule, for which the existence state is estimated in (4), and determining and assigning a side chain and a cross-link thereto.

In one aspect, a mass analyzer is disclosed, which comprises a quadrupole having an input end for receiving ions and an output end through which ions can exit the quadrupole, said quadrupole having a plurality of rods to at least some of which a drive RF signal and an excitation signal can be applied. A fixed phase relationship is maintained between the drive RF signal and the excitation signal, thereby enhancing the signal-to-noise ratio of the mass detection signal.

In one aspect, a mass analyzer is disclosed, which comprises a quadrupole having an input end for receiving ions and an output end through which ions can exit the quadrupole, said quadrupole having a plurality of rods to at least some of which a drive RF signal and an excitation signal can be applied. A fixed phase relationship is maintained between the drive RF signal and the excitation signal, thereby enhancing the signal-to-noise ratio of the mass detection signal.

Provided is a non-invasive method of detecting or screening for a cancer in a subject specimen originating in a tissue outside of the lung. The method includes detecting elevated levels of one or more carbonyl-containing volatile organic compounds (VOCs) that are biomarkers for the cancer in exhaled breath from the subject specimen. The method may further include obtaining exhaled breath from the subject specimen; forming adducts of the carbonyl-containing VOCs with a reactive chemical compound; quantifying the adducts of the carbonyl-containing VOCs to establish a subject value for each of the adducts; and comparing each subject value to a threshold healthy specimen value for each of the adducts of the carbonyl-containing VOCs. One or more subject values at quantities greater than threshold healthy specimen values are also useful for screening for the cancer in the subject specimen.

Provided is a non-invasive method of detecting or screening for a cancer in a subject specimen originating in a tissue outside of the lung. The method includes detecting elevated levels of one or more carbonyl-containing volatile organic compounds (VOCs) that are biomarkers for the cancer in exhaled breath from the subject specimen. The method may further include obtaining exhaled breath from the subject specimen; forming adducts of the carbonyl-containing VOCs with a reactive chemical compound; quantifying the adducts of the carbonyl-containing VOCs to establish a subject value for each of the adducts; and comparing each subject value to a threshold healthy specimen value for each of the adducts of the carbonyl-containing VOCs. One or more subject values at quantities greater than threshold healthy specimen values are also useful for screening for the cancer in the subject specimen.

The invention discloses design of the open-type dynamically harmonized trap directly incorporated into the body of vacuum chamber of Fourier transform ion cyclotron resonance mass analyzer. The proposed trap provides ultra-high resolution of the mass spectrometer as well as improves performance of the instrument, increases pumping rate (accelerates evacuation), eliminates necessity in vacuum feed-through, and increases maximum trap resolution limit at a fixed magnetic field.

A method for detecting and analyzing olefins in petroleum by electrospray ionization mass spectrometry can include obtaining a hydrocarbon sample comprising at least about 90 wt % of saturate compounds; producing a solution comprising the hydrocarbon sample and a metal salt, the metal salt comprising a metal ion; forming olefin-metal ion complexes by electrospray ionization; and detecting the olefin-metal ion complexes using mass spectrometry.

A method for detecting and analyzing olefins in petroleum by electrospray ionization mass spectrometry can include obtaining a hydrocarbon sample comprising at least about 90 wt % of saturate compounds; producing a solution comprising the hydrocarbon sample and a metal salt, the metal salt comprising a metal ion; forming olefin-metal ion complexes by electrospray ionization; and detecting the olefin-metal ion complexes using mass spectrometry.

Provided is a non-invasive method of detecting or screening for a cancer in a subject specimen originating in a tissue outside of the lung. The method includes detecting elevated levels of one or more carbonyl-containing volatile organic compounds (VOCs) that are biomarkers for the cancer in exhaled breath from the subject specimen. The method may further include obtaining exhaled breath from the subject specimen; forming adducts of the carbonyl-containing VOCs with a reactive chemical compound; quantifying the adducts of the carbonyl-containing VOCs to establish a subject value for each of the adducts; and comparing each subject value to a threshold healthy specimen value for each of the adducts of the carbonyl-containing VOCs. One or more subject values at quantities greater than threshold healthy specimen values are also useful for screening for the cancer in the subject specimen.