Disclosed are methods, systems, and computer program products for using liquid chromatography/tandem mass spectrometry (LC-MS/MS) for the analysis of endogenous biomarkers, such as 11-oxo androgens, in a sample. The 11-oxo androgens may comprise at least one of 11-hydroxyandrostendione (11OHA), 11-hydroxytestosterone (11OHT) or 11-ketotestosterone (11KT). More specifically, the methods, systems, and computer program products are described for detecting and quantifying the amount of an 11-oxo-androgen in a sample.

Described are techniques for processing data. Sample analysis is performed generating scans of data. Each scan comprises a set of data elements each associating an ion intensity count with a plurality of dimensions including a retention time dimension and a mass to charge ratio dimension. The scans are analyzed to identify one or more ion peaks. Analyzing includes filtering a first plurality of the scans producing a first plurality of filtered output scans. The filtering including first filtering producing a first filtering output, wherein the first filtering includes executing a plurality of threads in parallel which apply a first filter to the first plurality of scans to produce the first filtering output. Each of the plurality of threads computes at least one filtered output point for at least one corresponding input point included in the plurality of scans. Analyzing includes detecting one or more peaks using the filtered output scans.

A detection kit for detecting an immunosuppressor in whole blood by high performance liquid chromatography-tandem mass spectrometry and a detection method thereof is provided. An internal standard solution is added with an antioxidant, vitamin E, and mixed with an internal standard diluent containing zinc sulfate heptahydrate, purified water and methanol for sample pretreatment, which not only exerts the function of the internal standard, but also synchronously achieves erythrocyte treatment, protein precipitation and target substance extraction. Various embodiments enable the immunosuppressor to be more stable in a solution matrix, thus promoting the detection accuracy and sensitivity. Various embodiments adopt isotopically-labeled sirolimus as an internal standard of everolimus to substitute isotopically-labeled everolimus, thus overcoming the interference of everolimus on isotopically-labeled everolimus and satisfying the detection requirements. Various embodiments detect four immunosuppressors simultaneously to reduce the cost of the internal standard, and has a lower detection cost, more accurate and stable detection results.

The present disclosure discusses a method of separating a sample (e.g., pharmaceutical drug, genotoxic impurity, biomarker, and/or biological metabolite) including coating a metallic flow path of a chromatographic system; injecting the sample into the chromatographic system; flowing the sample through the chromatographic system; separating the sample; and analyzing the separated sample using mass spectroscopy. In some examples, the coating applied to the surfaces defining the flow path is non-binding with respect to the sample—and the separated sample. Consequently, the sample does not bind to the low-binding surface of the coating of the flow path. The applied coating can increase the chromatographic peak area for the sample of the chromatographic system.

This disclosure provides liquid chromatography tandem mass spectrometer (LC-MS/MS) methods and systems for detecting low levels of pesticides and mycotoxins in a test sample. In the disclosed methods and systems, oxalic acid is added to a mobile phase composition of a reverse phase chromatographic separation column. This addition improves the signal for certain pesticides and mycotoxins by a factor of from 1.5 to 9, improving their detection limits in a variety of test samples.

The present invention generally pertains to methods of quantifying free fatty acids in a pharmaceutical formulation. In particular, the present invention pertains to a method of quantifying free fatty acids released from polysorbate hydrolysis in a pharmaceutical formulation comprising a pharmaceutical product, polysorbate and free fatty acids, using liquid chromatography-mass spectrometry, without the use of an extraction step.

The present invention provides a synchronous detection method of medicaments influencing ARR in the detecting process of renin activity by liquid chromatography-tandem mass spectrometry. The method achieves the qualitative screening of medicaments influencing ARR values while detecting plasma renin activity by liquid chromatography-tandem mass spectrometry; moreover, the method can be used to assist to analyze and judge ARR as negative, positive, false negative or false positive. The detecting method achieves effective extraction of angiotensin I and 43 hypertension therapeutics synchronously through protein precipitation to samples, and enables to perform synchronous detection of a plurality of indices including angiotensin I and 43 hypertension therapeutics on the extracted sample by liquid chromatography-tandem mass spectrometry technology of high throughput, high specificity and high sensitivity. Moreover, the detection method utilizes the MRM mass spectrum parameters for preliminary screening of the medicaments, and rechecks the medicaments according to the retention time thereof. The ARR detection value is combined with the medicament screening result for co-analysis, which effectively distinguishes the false positive or false negative result of the detection while avoiding the patient's withdrawal of medicament for treatment, thereby improving the detection accuracy of the actual primary aldosteronism, and facilitating clinical promotion and application.

The present disclosure pertains to methods of separating nucleic acid component compounds from one another. In some embodiments, the methods comprise: (a) loading a sample fluid comprising a plurality of nucleic acid component compounds onto a chromatographic column comprising a zwitterionic stationary phase contained inside the column; (b) flowing a mobile phase through the chromatographic column over a time period thereby forming an eluent in which at least some of the plurality of the nucleic acid component compounds are separated from each other, the mobile phase comprising a polar aprotic solvent, a protic solvent, and a volatile buffer salt, wherein flowing the mobile phase comprises varying a ratio of the protic solvent to the polar aprotic solvent over at least a portion of the time period and varying an ionic strength of the volatile buffer salt over at least a portion of the time period.

Disclosed herein is a method of providing a metabololipidomic profile and SPM signature on the progress of the innate host defense response following blood clotting. The method can include the step of taking one or more measurements in a patient's blood sample, wherein the sample is obtained during the time-course of clotting or coagulation or following clotting or coagulation, of pro-thrombotic and pro-inflammatory mediators (eicosanoids) and specialized pro-resolving mediators SPMs. From these measurements, a personalized metabololipidomic profile can be obtained. By comparing the measurement to that taken from normal or reference blood, a comparison profile can be developed. The profile comparison profile can then be used to make a medical or therapeutic decision.

A mass spectrometer includes a controller operable to: transfer first ions of a first charge into an ion trap; apply an RF pseudopotential that radially confines the first ions in an elongate ion channel of the trap; generate a first potential well that confines the first ions within a first volume; after a specified pre-cooling time, transfer second ions of a second, opposite charge into the trap; apply one or more additional DC potentials that generate a second potential well that confines the second ions within a second volume, the first potential well being within the second potential well; cause, after cooling the second ions, the first ions and the second ions to interact and generate product ions; and generate at least one third potential well that confines the product ions, that is adjacent to the second potential well and that has a same polarity as the first potential well.