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.

Systems and methods are provided for modifying or selecting processing conditions for bright stock formation based on compositional characterization of the feedstock and/or bright stock products. In some aspects, the compositional information can include Z-class characterization of the components of a feed and/or bright stock product, optionally in combination with carbon number and/or molecular weight for the components. The compositional information can be used to select processing conditions to allow for removal and/or modification of selected components within a bright stock in order to improve throughput and/or provide desirable cold flow properties.

A method and system to determine mass fraction of aromatic hydrocarbons, sulfur-multi-sulfur, sulfur-nitrogen, multi-sulfur-multi-nitrogen, and nitrogen containing aromatic compound classes present within a petroleum sample. The invention uses total sulfur determination, total nitrogen determination, and elemental formulas determination, with the latter determined through time-of-flight mass spectrometric analysis with atmospheric pressure photo ionization and Fourier-transform ion-cyclotron resonance mass spectrometric analysis with atmospheric pressure photo ionization.

A method and system to determine mass fraction of aromatic hydrocarbons, sulfur-multi-sulfur, sulfur-nitrogen, multi-sulfur-multi-nitrogen, and nitrogen containing aromatic compound classes present within a petroleum sample. The invention uses total sulfur determination, total nitrogen determination, and elemental formulas determination, with the latter determined through time-of-flight mass spectrometric analysis with atmospheric pressure photo ionization and Fourier-transform ion-cyclotron resonance mass spectrometric analysis with atmospheric pressure photo ionization.

A method comprising decomposing mass spectrometry data, especially of ion species that undergo multiple direction changes in a periodic manner, the data comprising signal and noise measured over time, into a sum of K harmonic component signals and a noise component, wherein the harmonic component signals and their number K are derived from the data and a determined quantity representative of the noise. The harmonic component signals and their number K may be determined iteratively on the basis of: using an initial value of K to calculate a minimised non-negative measure of difference R.sup.(K) between the measured and model data comprising data sets of K-harmonic component signals, and if R.sup.(K) does not lie within a noise range based on the quantity representative of the noise, changing the value of K and recalculating R.sup.(K) until R.sup.(K) lies within the noise range. Mass spectral information may be derived from the model data set.

A method comprising decomposing mass spectrometry data, especially of ion species that undergo multiple direction changes in a periodic manner, the data comprising signal and noise measured over time, into a sum of K harmonic component signals and a noise component, wherein the harmonic component signals and their number K are derived from the data and a determined quantity representative of the noise. The harmonic component signals and their number K may be determined iteratively on the basis of: using an initial value of K to calculate a minimised non-negative measure of difference R.sup.(K) between the measured and model data comprising data sets of K-harmonic component signals, and if R.sup.(K) does not lie within a noise range based on the quantity representative of the noise, changing the value of K and recalculating R.sup.(K) until R.sup.(K) lies within the noise range. Mass spectral information may be derived from the model data set.

A system and computer program product are provided for calculating one or more indicative properties, e.g., one or more of the cetane number, octane number, pour point, cloud point and aniline point of oil fractions, from the density and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) of a sample of an oil sample.

A method of carrying out mass spectrometry, comprising: using an electrostatic or electrodynamic ion trap to contain a plurality of ions, each ion having a mass to charge ratio, the ions having a first plurality of mass to charge ratios, each ion following a path within the electrostatic or electrodynamic ion trap having a radius; and for each of a second plurality of the mass to charge ratios: modulating the radii of the ions in a mass to charge ratio-dependent fashion dependent upon the mass to charge ratio; fragmenting the ions thus modulated in a radius-dependent fashion; and determining a mass spectrum of the ions.

A method of carrying out mass spectrometry, comprising: using an electrostatic or electrodynamic ion trap to contain a plurality of ions, each ion having a mass to charge ratio, the ions having a first plurality of mass to charge ratios, each ion following a path within the electrostatic or electrodynamic ion trap having a radius; and for each of a second plurality of the mass to charge ratios: modulating the radii of the ions in a mass to charge ratio-dependent fashion dependent upon the mass to charge ratio; fragmenting the ions thus modulated in a radius-dependent fashion; and determining a mass spectrum of the ions.

A mass analyzer includes a main substrate, an upper substrate adhered to the main substrate, and a lower substrate. A mass analysis room (cavity) is formed in the main substrate and penetrates from an upper surface of the first main substrate to a lower surface of the first main substrate. A vertical direction (Z direction) to the main substrate by the upper substrate, both sides of the lower substrate, a travelling direction (X direction) of charged particles and a right angle to the Z direction by the main substrate, and both sides of a right-angled direction (Y to Z direction) and the X direction by a side surface of the main substrate are surrounded. A central hole is open in the side plate of the main substrate that the charged particles enter. The charged particles enter the mass analysis room through the central hole formed in the first main substrate.