Abstract: A Mixture of substances is provided for precise calibration of the mass scale of mass spectrometers equipped with ion sources that operate at atmospheric pressure (AP) with ionization of the analyte molecules, for example by APCI (chemical ionization), or by APPI (photoionization), often at high temperatures of up to 470° C. Out of physical reasons, the mass scale of any time-of-flight mass spectrometer deviates in the lower mass range from the theoretical relation between charge-related mass m/z and flight time t. A closely spaced arrangement of low mass calibration reference points is necessary if high mass accuracy is to be achieved for substances of low molecular weight. APCI and APPI sources are increasingly used in time-of-flight mass spectrometers with orthogonal ion injection (OTOF MS) for the detection of non-polar and weakly polar compounds, in particular, for analyte molecules with relatively low molecular weights.

Abstract: The present invention demonstrates that the diagnosis and prediction of clinical behavior in patients with hematologic malignancies, such as leukemia, can be accomplished by analysis of proteins present in a plasma sample. Thus, in particular embodiments the present invention uses plasma to create a diagnostic or prognostic protein profile of a hematologic malignancy comprising collecting plasma samples from a population of patients with hematologic malignancies; generating protein spectra from the plasma samples with or without fractionation; comparing the protein spectra with clinical data; and identifying protein markers in the plasma samples that correlate with the clinical data. Protein markers identified by this approach can then be used to create a protein profile that can be used to diagnose the hematologic malignancy or determine the prognosis of the hematologic malignancy. Potentially these specific proteins can be identified and targeted in the therapy of these malignancies.

Abstract: The invention relates to methods for the diagnosis of non-alcoholic steatosis (NASH). The method relies on the determination of certain metabolic markers in a biological sample of the patient which are up- or down-regulated in the NASH patients vs. patients with a simple fatty liver (steatosis).

Abstract: This invention features systems and methods for the detection of analytes, and their use in the treatment and diagnosis of disease.

Abstract: The invention relates to the detection of DHA and EPA. In a particular aspect, the invention relates to methods for detecting DHA and EPA by mass spectrometry.

Abstract: A method and system for providing an article of manufacture with increased longevity of hyperpolarized 1H signals (and other species) for NMR spectroscopy and MRI. The method involves providing a material including a molecular species susceptible of NMR spectroscopy, by providing parahydrogen (and other appropriate species) to disperse within the material/solvent to establish increased longevity of the NMR signals. The material can be in a solution with a surfactant and catalysts added to enhance the persistence of parahydrogen (or other species) in the form of enhanced solubility, microbubbles or micelles and resultant hydrogenation (or other species) of the material.

Abstract: An ion guide or mass analyser is disclosed comprising a plurality of electrodes having apertures through which ions are transmitted in use. A pseudo-potential barrier is created at the exit of the ion guide or mass analyser. The amplitude or depth of the pseudo-potential barrier is inversely proportional to the mass to charge ratio of an ion. One or more transient DC voltages are applied to the electrodes of the ion guide or mass analyser in order to urge ions along the length of the ion guides or mass analyser. The amplitude of the transient DC voltage applied to the electrode may be increased with time so that ions are caused to be emitted from the ion guide or mass analyser in reverse order of their mass to charge ratio.

Abstract: The invention provides a method and system for analyzing a gas for the presence of a reactant compound via reaction of primary ions of a specific type. A source gas is introduced to a reaction chamber and ionized in this chamber. The pressure in the reaction chamber is adjusted to avoid the formation of protonated species and other impurities. The primary ions generated in the reaction chamber are transferred to a drift tube. The gas to be analyzed is diluted with a carrier gas and the resulting mixture is introduced into the drift tube. The ionization energy of the carrier gas is equal to or higher than the ionization energy of the primary ions. The product ions resulting in the drift tube from a reaction of the primary ions with the reactant present in the gas to be analyzed are then detected, for example using a mass spectrometer. Preferably, an existing PTR-MS setup is used to perform the method of the present invention.

Abstract: The present invention relates generally to mass spectrometry. The present invention relates more particularly to methods and systems for use in mass spectrometric identification of a variety of analytes, including high molecular weight species such as proteins. One embodiment of the invention is a method for analyzing an analyte. The method includes nebulizing a suspension of the analyte in a solvent with a surface acoustic wave transducer; and performing mass spectrometry on the nebulized suspension. The surface acoustic wave transducer can be used, for example, to transfer non-volatile peptides and proteins (as well as other analyztes, such as oligonucleotides and polymers) to the gas phase at atmospheric pressure. Nebulization using surface acoustic waves can be conducted in a discontinuous or pulsed mode, similar to that used in MALDI, or in a continuous mode, as in ESI.

Abstract: The invention provides improved crosslinkers which permit more efficient determination of protein interactions in biological samples.

Abstract: Detecting a spin probe in an oilfield fluid may indicate or determine the amount of the particular chemicals within an oilfield fluid. The detection of the spin probe may also indicate at least one property of the oilfield fluid, such as but not limited to pH, dielectric constant, rotational freedom of the spin probe, at least one chemical, the concentration of at least one chemical, residue of at least one chemical in the fluid, the speciation of coupled chemistry between the spin probe and the chemical, and combinations thereof. In one non-limiting embodiment, the spin probe may be attached to at least one chemical. The oilfield fluid may be or include, but is not limited to, a drilling fluid, a completion fluid, a production fluid, a servicing fluid, and combinations thereof.

Abstract: A method and apparatus for rapidly and accurately determining the fat and oil content of a sample using microwave drying and NMR analysis is disclosed. The method and apparatus incorporate a low mass, porous, hydrophilic and lipophilic sample pad that ensures that the entire sample is subjected to NMR analysis. The method and apparatus according to the invention are suitable for rapidly determining the fat and oil content of samples collected during a production process and for process or quality control.

Abstract: A plurality of scans of a sample are performed, producing a plurality of mass spectra. Neighboring mass spectra of the plurality of mass spectra are combined into a collection of mass spectra based on sample location, time, or mass. A background noise estimate is calculated for the collection of mass spectra. The collection of mass spectra is filtered using the background noise estimate, producing a filtered collection of one or more mass spectra. Quantitative or qualitative analysis is performed using the filtered collection of one or more mass spectra. The background noise estimate is calculated by dividing the collection of mass spectra into two or more windows, for example. For each window of the two or more windows, all spectra within each window are combined, producing a combined spectrum for each of the two or more windows. For each combined spectrum, a background noise is estimated.

Abstract: The present invention is directed to methods of detecting viable epithelial cells in a sample. The method includes isolating the sample comprising cells from a patient and culturing the cells for a time sufficient for an epithelial cell-specific marker to be released from the cells. The marker includes a substantially full-length cytokeratin. The method further includes detecting the released marker. Detection of the marker indicates the presence of disseminated epithelial cells. Methods are also directed to identifying disseminated epithelial tumor cells.

Abstract: A method for discovering pharmacologically active substances from natural products at high speed, including: obtaining an activity profile by testing pharmacological activity of a plurality of samples; obtaining mass profiles based on mass spectra resulting from analysis of the samples by mass spectrometry; and determining molecular weight of pharmacologically active substances by comparing and analyzing the activity profile and the mass profile. The method allows fast discovery of pharmacologically active substances by performing high resolution mass spectrometry for numerous components included in an extract sample of natural products and comparing with the activity test data. The information about the intensity of the activity of the pharmacologically active substances of the natural products allows effective utilization of the natural products.

Abstract: This invention relates, inter alia, to detecting and/or measuring succinylacetone and one or more additional biological analytes using mass spectrometry, e.g., tandem mass spectrometry, by derivatizing succinylacetone in a sample by contacting the sample with an extraction solution comprising a C1-3 linear or branched chain monoalcohol and a strong base selected from the group consisting of hydrazine, a modified hydrazine, and hydroxylamine.

Abstract: Systems, devices, and methods, operational at atmospheric pressure, involving a conical member having an outlet positioned relative to an inlet of a mass spectrometer inlet capillary; a tungsten electrode positioned between the conical member and the inlet of the mass spectrometer inlet capillary; a foil membrane disposed within the conical member, the foil membrane having a first surface, and a second surface opposed to the first surface; a laser directing laser pulses at the second surface of the foil membrane to create a shockwave to vaporize one or more analytes deposited on the first surface; a reagent gas inlet stream positioned relative to the foil membrane to pass a reagent gas across the foil member to transport vaporized analytes: away from the foil membrane, through the outlet of the conical member, through a corona discharge generated by the tungsten electrode, and into the inlet capillary of a mass spectrometer.

Abstract: A method of identifying a biopolymer in a sample that includes one or more biopolymers. The biopolymers may be polypeptides, polynucleotides, or polysaccharides. The method makes use of mass spectral datasets. A first dataset includes measured masses of the one or more biopolymers that are in the sample. A second dataset includes measured masses of a collection of fragments of the one or more biopolymers. The method selects a mass from the first dataset and then matches masses from the second dataset with the selected mass. The matched masses represent fragments of the biopolymer with the selected mass. Once the masses in the second dataset have been matched they are compared to determine a monomer sequence for the biopolymer with the selected mass. The method may be repeated with additional masses in the first dataset.

Abstract: A system and methods are described for generating reagent ions and product ions for use in a mass spectrometry system. Applications for the system and method are also disclosed for detecting volatile organic compounds in trace concentrations. A microwave or high-frequency RF energy source ionizes particles of a reagent vapor to form reagent ions. The reagent ions enter a chamber, such as a drift chamber, to interact with a fluid sample. An electric field directs the reagent ions and facilitates an interaction with the fluid sample to form product ions. The reagent ions and product ions then exit the chamber under the influence of an electric field for detection by a mass spectrometer module. The system includes various control modules for setting values of system parameters and analysis modules for detection of mass and peak intensity values for ion species during spectrometry and faults within the system.

Abstract: This invention pertains to methods, mixtures, kits and/or compositions for the determination of analytes by mass analysis using unique labeling reagents or sets of unique labeling reagents. The labeling reagents can be isomeric or isobaric and can be used to produce mixtures suitable for multiplex analysis of the labeled analytes.

Abstract: The application discloses PERLECAN as a new biomarker for renal dysfunction; methods for predicting, diagnosing, prognosticating and/or monitoring said dysfunction based on measuring said biomarker; and kits and devices for measuring said biomarker and/or performing said methods.

Abstract: This invention pertains to methods, mixtures, kits and compositions pertaining to analyte determination by mass spectrometry using labeling reagents that comprise a nucleophilic reactive group that reacts with a functional group of an analyte to produce a labeled analyte. The labeling reagents can be used as isobaric sets, mass differential labeling sets or in a combination of isobaric and mass differential labeling sets.

Abstract: Deuterium isobaric tag reagents are provided for the quantitation of biomolecules, where the reagents contain heavy isotope atoms, including one or more 2H in each reagent. Generally, the reagents are described by the formula: reporter group—balancer group—reactive group, wherein the reporter group and the balancer group are linked by an MS/MS scissionable bond. Each of the reporter group and balancer groups independently contain 0 to 9 heavy isotope atoms selected from 13C, 15N and 2H and the total number of 2H atoms in each reagent is 1 to 6. The mass of the reporter group is from 114-123 Daltons. Exemplary deuterium isobaric tag reagents include Di-ART, DiART-t-I, DiART-t-Br and DiART-t-M. Also provided are compositions containing more than one deuterium isobaric tag reagent and methods for making and using deuterium isobaric tag reagents.

Abstract: Rapid mass spectrometric immunoassay methods for detecting and/or quantifying antibody and antigen analytes utilizing affinity capture to isolate the analytes and internal reference species (for quantification) followed by mass spectrometric analysis of the isolated analyte/internal reference species. Quantification is obtained by normalizing and calibrating obtained mass spectrum against the mass spectrum obtained for an antibody/antigen of known concentration.

Abstract: The invention provides a method and apparatus for trapping, releasing and/or separating sample components in solution passing through a channel with or without packing material present by passing ion current through the channel driven by an electric field. A portion of the ion current comprises cation and/or anion species generated from second solution flows separated from the sample solution flow path by semipermeable membranes. Cation and/or Anion ion species generated in the second solution flow regions are transferred into the sample solution flow path through ion selective semipermeable membranes. Ion current moving along the sample solution flow path is controlled by varying the composition of the second solutions and/or changing the voltage between membrane sections for a given sample solution composition. The sample composition may also be varied separately or in parallel to enhance trapping, release and/or separation efficiency and range.

Abstract: Congeneric, halogenated, fluorinated aromatic compounds A and B are each phenyl radicals, L=oxygen atom, sulfur atom or alkylene radical and p=0 or 1; processes for their preparation and their use.

Abstract: Disclosed are methods and systems for the analysis of delta 5 steroid compounds in a sample using supported liquid extraction and liquid chromatography/mass spectrometry.

Abstract: Analytes in a sample are resolved by retentate chromatography in a procedure involving adsorbing the analytes on a substrate under a plurality of different selectivity conditions, and detecting the analytes retained on the substrate by desorption spectrometry. The methods are useful in biology and medicine, including clinical diagnostics and drug discovery.

Abstract: The presently disclosed subject matter provides methods for evaluating and characterizing peptides, peptide mixtures, and polypeptide mixtures. More particularly, the presently disclosed subject matter provides methods for evaluating or characterizing complex peptide or polypeptide mixtures comprising glutamic acid, alanine, tyrosine, and lysine, e.g., Copolymer-1 or glatiramer acetate, including, but not limited to, methods of identifying, isolating, quantifying, and purifying amino acids, peptides, polypeptides, and combinations thereof having a diethylamide group instead of a carboxyl group present on the C-terminus. The presently disclosed methods can be used to determine the mole percent of polypeptides having a diethylamide group at a C-terminus thereof and can be used to evaluate one or more properties of a sample of one polypeptide mixture as compared to one or more properties of a different sample of a polypeptide mixture.

Abstract: A mass spectrometry method for analysing the presence or absence of at least one target analyte in a complex sample is provided. The method uses a sample carrier suitable for mass spectrometry with a pre-applied microcrystalline MALDI matrix spot which is at least partially encompassed by a hydrophobic region. A complex sample is applied such that it becomes located on the microcrystalline MALDI matrix spot. The sample is washed on the microcrystalline MALDI matrix spot and then analyzed for the presence or absence of at least one target analyte via mass spectrometry. The method is in particular suitable for quantitatively analysing target analytes such as hepcidin and other peptides, drug compounds and metabolites in body fluids.

Abstract: The present invention is directed to systems and methods for diagnosing tissue abnormality or diseases, determining effective drug dosages, and monitoring therapeutic drug treatments. The methods and systems described utilize tissue imaging in situ and computer modeling.

Abstract: A method and apparatus to trap, release and/or separate sample components in solution passing through a channel with or without packing material present by passing ion current through the channel driven by an electric field. A portion of the ion current includes cation and/or anion species generated from second solution flows separated from the sample solution flow path by semipermeable membranes. Cation and/or anion ion species generated in the second solution flow regions are transferred into the sample solution flow path through ion selective semipermeable membranes. Ion current moving along the sample solution flow path is controlled by varying the composition of the second solutions and/or changing the voltage between membrane sections for a given sample solution composition. The sample composition may also be varied separately or in parallel to enhance trapping, release and/or separation efficiency and range.

Abstract: A method of measuring the concentration of a halogen in a gas stream using measurement means unsuitable for the direct measurement of halogens in a gas stream includes the step of passing a gaseous conversion compound to the halogen containing gas stream to convert the halogen to a detectable gaseous compound.

Abstract: This invention provides methods for to the use of the difference in phosphodiester (PDE)/phosphomonoester (PME) ratio in biological fluids, as an analytical criterion to image both the presence and degree of viral infection in-vivo.

Abstract: Provided are methods for determining the amount of thyroglobulin in a sample using various purification steps followed by mass spectrometry. The methods generally involve purifying thyroglobulin in a test sample, digesting thyroglobulin to form peptide T129, purifying peptide T129, ionizing peptide T129, detecting the amount of peptide T129 ion generated, and relating the amount of peptide T129 ion to the amount of thyroglobulin originally present in the sample.

Abstract: A mass spectrometry electron transfer dissociation reagent comprising an unsaturated compound having a Frank Condon factor between 0.1 and 1.0 and an electron affinity having a positive value between 0.1 to 150 kJ/mol.

Abstract: The invention relates to the use of substances for the production of anions suitable for charge transfer reactions in mass spectrometers, particularly for the fragmentation of multiply positively charged biopolymer ions by electron transfer or for charge reduction by proton transfer. Diketones, particularly ?-diketones, are proposed as a newly found class of substances which can be used both for the production of radical anions for electron transfer dissociations (ETD) with a high yield of fragment ions and also for the production of non-radical anions for the charge reduction of multiply charged analyte ions by proton transfer reactions (PTR). These substances have favorable properties in terms of their handling and the associated analytical methods: they are largely nontoxic, cover a favorable range of molecular masses, and their volatility means that they can be stored in unheated containers outside of the vacuum system, which facilitates the refilling of the containers.

Abstract: Methods of evaluating heparin preparations, e.g., for suitability for use as a drug or for use in making a drug, by determining the absence, presence or amount of a structural signature that is indicative of the methods used to make the heparin preparation.

Abstract: Provided are methods of detecting the presence or amount of a vitamin D metabolite in a sample using mass spectrometry. The methods generally comprise ionizing a vitamin D metabolite in a sample and detecting the amount of the ion to determine the presence or amount of the vitamin D metabolite in the sample. Also provided are methods to detect the presence or amount of two or more vitamin D metabolites in a single assay.

Abstract: There is provided a method of monitoring for the presence of phosphate esters in jet fuel. The method comprises obtaining from a jet fuel source a jet fuel test sample suspected of containing phosphate esters. The method further comprises combining the jet fuel test sample with a polar solvent and a nonpolar solvent to form a mixture. The method further comprises agitating the mixture. The method further comprises extracting the polar solvent from the mixture. The method further comprises performing a combined gas chromatography and mass spectrometer analysis of the polar solvent to monitor for the presence of any phosphate esters and to obtain an actual concentration level of any phosphate esters. The method further comprises comparing the actual concentration level of any phosphate esters with a calibration standard concentration of phosphate esters in clean jet fuel.

Abstract: Described is a method for analyzing the metabolites of a biological sample which comprises quantitatively determining one or more metabolites in said sample in a way that said quantitative determination resolves isotopic mass differences within one metabolite, said method being characterized in that the sample comprises or is derived from a cell which has been maintained under conditions allowing the uptake of an isotopically labeled metabolizable compound so that the metabolites in said cell are saturated with the isotope with which said metabolizable compound is labeled. This method may further comprise, prior to quantitative determining the metabolites, combining the biological sample (i.e. the first biological sample) with a second biological sample in which the metabolites are not isotopically labeled or are isotopically labeled differently from the first biological sample; and determining in said biological samples the relative quantity of metabolites which differ by their isotopical label.

Abstract: It has been found that certain cells in culture can convert more than about 0.002 percent of the carbon available in the cell culture medium into isoprene. These cells have a heterologous nucleic acid that (i) encodes an isoprene synthase polypeptide and (ii) is operably linked to a promoter. The isoprene produced in such a cultured medium can then be recovered and polymerized into synthetic rubbers and other useful polymeric materials. The synthetic isoprene containing polymers of this invention offer the benefit of being verifiable as to being derived from non-petrochemical based resources. They can also be analytically distinguished from rubbers that come from natural sources. The present invention more specifically discloses a polyisoprene polymer which is comprised of repeat units that are derived from isoprene monomer, wherein the polyisoprene polymer has ?13C value of greater than ?22‰.

Abstract: Provided is a method that achieves both of soft ionization and high ionization efficiency of a substance to be analyzed at each measurement site without impairing a two-dimensional distribution state of the substance to be analyzed in desorption ionization mass spectrometry of a substance to be measured. By applying, to a substance to be analyzed, an ionization assisting reagent including an organic acid including a functional group represented by —(CF2)COOH and having a boiling point of 150° C. or more, and a polyhydric alcohol having a melting point of 20° C. or less and a boiling point of 150° C. or more at normal pressure, the organic acid, which is a component of the ionization assisting reagent, effectively donates a proton to the substance to be analyzed, thereby improving ionization efficiency, and the polyhydric alcohol, which is a component of the ionization assisting reagent, inhibits fragmentation.

Abstract: Described herein are methods for determining an amount of an analyte in a test sample. The methods involve preparing a calibration curve using standard samples containing an isotopically-labeled standard in a biological matrix.

Abstract: The present disclosure relates to a novel GC/MS/MS method for quantifying levels of elemental sulfur in hydrocarbons, including crude petroleum, petroleum products, and liquefied hydrocarbon gases.

Abstract: Described herein are mass spectrometry systems and methods which improve the accuracy of isobaric tag-based quantification by alleviating the pervasive problem of precursor interference and co-isolation of impurities through gas-phase purification. During the gas-phase purification, the mass-to-charge ratios of precursor ions within at least a selected range are selectively changed allowing ions having similar unmodified mass-to-charge ratios to be separated before further isolation, fragmentation or analysis.

Abstract: This invention features systems and methods for the detection of analytes, and their use in the treatment and diagnosis of disease.

Abstract: Embodiments of the present invention are directed to methods and kits for determining the presence or absence, and the amount if present, of vitamin D analogs in samples. One embodiment of the present method for detecting the presence or absence of vitamin D analogs in a sample comprises the steps of adding an effective amount of a multiple charge cationic agent to the sample to form a cationic treated sample. The effective amount of a multiple charge cationic agent enhances the signal from vitamin D analogs upon analysis by mass spectroscopy.

Abstract: Systems and methods are provided for analyzing particulates. A liquid having a plurality of particulates substantially linearly ordered in a streamline can be externally controlled to provide flow in first and second directions, where, generally, the first direction is opposite to the second direction. A target particulate can be measured from the plurality of particulates at or near a measurement area while the liquid flows in the first flow direction. The flow direction can be reversed and measured at the measurement area while flowing in the second direction. The particulates substantially retain the same linear order during at least one cycle, a cycle being defined by movement in the first direction followed by movement in the second direction.

Abstract: Methods, systems and kits for the simultaneous or sequential analysis of one or more hormones by mass spectrometry are disclosed. The methods require minimal sample size and minimal preparation time. The methods include ionizing the hormones and analyzing the hormones by mass spectrometry. In addition, methods, systems and kits for the simultaneous or sequential analysis of thyroid hormones are disclosed including ionization of the thyroid hormones in the negative mode using an electrospray source.