The present invention provides a reference fingerprint of virgin olive oil, and an establishment method and an application thereof. By using UPLC-FLD, the chromatographic information of various components in the extra virgin olive oil is obtained, breaking through the limitation of establishment of fingerprints by means of conventional GC-MS method and based on the fatty acid composition of edible oil, and further solving the problem that traditional fingerprints only use a single component for determination and thus result in false positivity. Meanwhile, similarity calculation is conducted on the chromatographic information of serial extra virgin olive oil, establishing a reference fingerprint of virgin olive oil, reinforcing the polymorphism of fingerprint information, reflecting its differences from edible oil from the perspectives of the substance composition, distribution, and content of virgin olive oil, helping improve accuracy of identification, and enabling rapid, convenient and accurate identification of the quality of virgin olive oil.

Each of one or more unknown compounds are separated from a sample over a separation time period. Separated compounds are ionized, producing one or more compound precursor ions for each of the unknown compounds and a plurality of background precursor ions. A precursor ion mass spectrum is measured for the combined compound and background precursor ions at each time step of a plurality of time steps spread across the separation time period, producing a plurality of precursor ion mass spectra. One or more background precursor ions are selected from the plurality of precursor ion mass spectra that have a resolving power in a range below a threshold expected resolving power. A separation time is detected for an unknown compound when a decrease in an intensity measurement of the selected background precursor ions over a time period exceeds a threshold decrease in intensity with respect to time.

Systems and methods are disclosed for providing virtual assays of an oil sample such as crude oil based on high pressure liquid chromatography (HPLC) carried out on the oil sample, and the density of the oil sample. The virtual assay provides a full range of information about fractions of the oil sample including naphtha, gas oil, vacuum gas oil, vacuum residue, and other information about the properties of the oil sample. Using the system and method herein, the virtual assay data pertaining to these several fractions of the oil sample and the oil sample itself is obtained without fractionation of the oil sample into the several components.

Disclosed herein are biomarkers associated with a disease state such as lung cancer, and methods of discovering or using said biomarkers. Also disclosed herein are classifiers built on said biomarkers and methods of detecting the disease state in samples from subjects.

A detection method for origin determination is provided. A gas chromatography-ion mobility spectrometry (GC-IMS) technology is adopted to obtain GC-IMS diagrams by detecting types and contents of volatile organic compounds in fruits. After analysises, fingerprint diagrams and principal component analysis (PCA) diagrams of the volatile organic compounds in the fruits are obtained. Origins of fruits can be determined based on the fingerprint diagrams and the PCA diagrams. By datumizing the traditional smelling method, it can assist scientific researchers and producers or businesses to identify origins or specific producing areas of fruits.

A method for determining a degree of doneness of a sturgeon meat based on flavor fingerprinting and a partial least squares (PLS) regression is provided. The method determines the degree of doneness of a sturgeon meat sample and predicts a flavor characteristic based on gas chromatography-ion mobility spectrometry (GC-IMS) data and a linear regression equation of the sturgeon meat sample. The method includes conducting headspace (solid-phase) micro-extraction of sturgeon meat samples with different degrees of doneness, conducting a qualitative analysis by gas chromatography-mass spectrometry (GC-MS), analyzing fingerprinting by GC-IMS, establishing a regression prediction model by performing a regression on a myofibrillar protein extraction ratio and a number of different types of volatile flavor substances, comparing characteristic regions acquired by the fingerprinting, conducting a principal component analysis (PCA), and determining, by the prediction model, a doneness degree and a flavor characteristic of a target sturgeon meat sample effectively.

A method (RT_A) for synchronizing data for a plurality of gas samples, e.g. breath samples, with volatile organic compounds. The data comprises chromatographic data indicative of molecule elution times, and preferably also mass spectrography data. The method comprises identifying or selecting (I_MM) marker molecules, e.g. 5-20 molecules, preferably easily identifiable molecules for each of the plurality of gas samples, and clustering (CL) the plurality of gas samples into a plurality of clusters according to a clustering criterion, e.g. including additional information such as time of obtaining the data and/or analyzing equipment used. Next, a first correction of retention time deviations (P_C1) is performed on the data for the gas samples between clusters by using the marker molecules as anchor points, so as to provide a coarse reduction of retention time deviations (d) between the data for the gas samples. Finally, a second correction of retention time deviations (P_C2) on the data for the gas samples, so as to further reduce retention time deviations (d) between the data for the gas samples, e.g. by using standard software packages. The method can reduce significant retention time deviations so as to allow e.g. breath sample fingerprints obtained by different equipment at different periods of time to be compared in one database for use on a digital platform (DP) such as the HSDP.

An analysis system includes a separation system that provides compounds to a sample cell of a spectrometric system. The system analyzes spectral information from the spectrometric system by optimizing retention windows for the compounds and identifies quantities of the compounds by comparing spectral information within and outside the respective retention windows.

Methods and systems to preserve, prepare, extract, and/or analyze hydrocarbons in the pore spaces of or adsorbed in organic-rich rock samples, such as, but not limited to, drill cuttings and drill cores, using one or more combinations of physical energy sources, including, but not limited to, thermal, vapor pressure, and mechanical stress. The collected samples are transported and prepared in low temperature conditions, with parts of subsequent processing at very low temperatures, thereby allowing a fuller measurement of geochemical fingerprints for the extracted hydrocarbons using various analysis tools. More particularly, the treatment and process allows geochemical fingerprinting to very low carbon number ranges.

Disclosed herein are methods and compositions for processing biofluid samples. Some such methods may include obtaining a biofluid sample from a subject having a disease state such as lung cancer. The biofluid sample may be contacted with a nanoparticles to adsorb proteins. The proteins may then be ionized or contacted with a detection reagent. Also disclosed herein are compositions comprising proteins coupled to a nanoparticle upon contact of the nanoparticle with a biofluid sample from a subject having a disease.