51 results about "Fourier transform ion cyclotron resonance" patented technology

An ion separation instrument includes an ion source coupled to at least a first ion mobility spectrometer having an ion outlet coupled to a mass spectrometer. Instrumentation is further included to provide for passage to the mass spectrometer only ions defining a preselected ion mobility range. In one embodiment, the ion mobility spectrometer is provided with electronically controllable inlet and outlet gates, wherein a control circuit is operable to control actuation of the inlet and outlet gates as a function of ion drift time to thereby allow passage therethrough only of ions defining a mobility within the preselected ion mobility range. In another embodiment, an ion trap is disposed between the ion mobility spectrometer and mass spectrometer and is controlled in such a manner so as to collect a plurality of ions defining a mobility within the preselected ion mobility range prior to injection of such ions into the mass spectrometer. In yet another embodiment, an ion inlet of the ion trap may be electronically controlled relative to operation of the ion mobility spectrometer as a function of ion drift time to thereby allow passage therein only of ions defining a mobility within the preselected ion mobility range. The mass spectrometer is preferably a Fourier Transform Ion Cyclotron Resonance mass spectrometer, and the resulting ion separation instrument may further include therein various combinations of ion fragmentation, ion mass filtering, ion trap, charge neutralization and / or mass reaction instrumentation.

An ion separation instrument includes an ion source coupled to at least a first ion mobility spectrometer having an ion outlet coupled to a mass spectrometer. Instrumentation is further included to provide for passage to the mass spectrometer only ions defining a preselected ion mobility range. In one embodiment, the ion mobility spectrometer is provided with electronically controllable inlet and outlet gates, wherein a control circuit is operable to control actuation of the inlet and outlet gates as a function of ion drift time to thereby allow passage therethrough only of ions defining a mobility within the preselected ion mobility range. In another embodiment, an ion trap is disposed between the ion mobility spectrometer and mass spectrometer and is controlled in such a manner so as to collect a plurality of ions defining a mobility within the preselected ion mobility range prior to injection of such ions into the mass spectrometer. In yet another embodiment, an ion inlet of the ion trap may be electronically controlled relative to operation of the ion mobility spectrometer as a function of ion drift time to thereby allow passage therein only of ions defining a mobility within the preselected ion mobility range. The mass spectrometer is preferably a Fourier Transform Ion Cyclotron Resonance mass spectrometer, and the resulting ion separation instrument may further include therein various combinations of ion fragmentation, ion mass filtering, ion trap, charge neutralization and / or mass reaction instrumentation.

A novel method and apparatus for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS). The FTICR-MS apparatus has a pre-ICR mass separation and filtering device capable of receiving ionized molecules with a plurality of mass to charge (M / Z) sub-ranges. The pre-ICR mass separation and filtering device divides the ionized molecules into a plurality of smaller packets, each of the smaller packets is within one of the M / Z sub-ranges. A magnet in the FTICR-MS apparatus provides a controlled magnetic field. A plurality of ion cyclotron resonance (ICR) cells are arranged in series in the controlled magnetic field and operate independently. An ion trapping device connects the pre-ICR mass separation and filtering device, and stores one of the plurality of smaller packets, prior to sending it to one of the plurality of ICR cells.

A combination of “bottom up” and “top down” MS analysis of posttranslational modifications in complex proteins is described. The method comprises digestion of the protein with an enzyme that forms larger peptide fragments than trypsin (>3000 D), performing HPLC with the fragments and applying a new data acquisition strategy using on-line coupling with e.g. LTQ-FTMS, a hybrid mass spectrometer that couples a linear ion trap with a Fourier transform ion cyclotron resonance (FTICR) cell. The method is applied to analysis of posttranslational modifications of protein isoforms.

The invention relates to an asphalt analysis discriminating method by utilizing an electronic spray ionization Fourier transform ion cyclotron resonance mass spectrometry technology. The asphalt analysis discriminating method comprises the following steps of: (1) detecting a standard sample in an electronic spray ionization Fourier transform ion cyclotron resonance mass spectrometer to determine molecular composition, molecular weight and distributed mass spectrometric data of a polar compound in the standard sample; (2) detecting a sample to be detected in the electronic spray ionization Fourier transform ion cyclotron resonance mass spectrometer to determine the molecular composition, molecular weight and distributed mass spectrometric data of another polar compound in the sample to be detected; and (3) evaluating differences of the molecular compositions, molecular weights and distribution of the sample to be detected and the standard sample, detected in a wide band mode and a narrow band mode, by utilizing a spectral ratio method and a repeatability limit method to obtain an asphalt fingerprint identification result. Through the asphalt analysis discriminating method disclosed by the invention, the characteristics of the obtained asphalt fingerprint are remarkable and have very high representativeness and reliability; and the variety discrimination and product identification of petroleum asphalt, coal pitch, natural asphalt (consisting of rock asphalt and lake asphalt) can be realized by comparison of asphalt fingerprint mass spectrometric data of the standard sample and the sample to be detected.

The total number of ions created br obtained during an ionization or ion introduction event in a Fourier transform ion cyclotron resonance mass spectrometer are determined either by using an on-resonance experimental technique or an off-resonance experimental technique. Both techniques exploit ion magnetron motion. In the on-resonance technique the spectrometer is excited in the magnetron mode and the single resonance signal resulting from this excitation is detected to determine the total number of ions. In the off-resonance technique the magnetron mode is excited at a frequency that is near the magnetron frequency while simultaneously detecting the resulting ion motion. The off-resonance technique leaves the ion population in a state that is amenable to subsequent analysis.

The invention relates to a method for analyzing biological samples by using matrix assisted laser desorption ionization-Fourier transform ion cyclotron resonance mass spectra (MALDI-FTMS), which is a method for analyzing alcohol compounds or / and alpha,beta-unsaturated ketone compounds in hair and urine samples qualitatively and quantitatively by combining a N-alkyl pyridine isotope derivatization method with the MALDI-FTMS. The method comprises the following steps of: performing sample preprocessing on a target analyte; reacting alcoholic hydroxyl or alpha,beta-unsaturated ketone on the target analyte with pyridine or deuterated pyridine; and performing MALDI-FTMS analysis on the marked sample solution directly. The analytical method is quick, efficient and sensitive.

Disclosed is apparatus and method for improving the signal by changing the voltage applied to an analyzing trap of a high resolving power Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometer. More specifically, after the ion activation, a voltage different from that of a trap electrode is applied to an additional electrode in the center of the trap electrode, and the voltage is maintained until the end of a detection cycle. Applying the above method, the stability of the ions confined in a trap is more increased, and therefore, the detected time domain signal is being lengthened. The lengthened time domain signal results in an increase of the frequency or an improvement of the resolving power and the sensitivity of the mass-to-charge domain signal.

The invention relates to a method and a device for optimization of electric fields in measurement cells of Fourier transform ion cyclotron resonance mass spectrometers. The invention is based on the rationale that asymmetric electric fields with uniformly or non-uniformly perturbed field axes can appear in ion cyclotron resonance cells and therefore the axis of the magnetron orbit can become radially displaced. Shifted magnetron orbits negatively affect the cyclotron excitation, deteriorate the FT-ICR signal, increase the intensity of an even-numbered harmonics peak, lead to stronger side bands of the FT-ICR signal, and in extreme cases, cause loss of ions. The present invention helps in probing the shift of the magnetron motion, detecting parameters indicative of the offset of the electric field axis and / or correcting it by trimming it back to the geometric axis of the cell.

A new experimental setup for spatially resolved ambient infrared laser ablation mass spectrometry (AIRLAB-MS) that uses an infrared microscope with an infinity-corrected reflective objective and a continuous flow solvent probe coupled to a Fourier transform ion cyclotron resonance mass spectrometer is described. The efficiency of material transfer from the sample to the electrospray ionization emitter was determined using glycerol / methanol droplets containing 1 mM nicotine and is ˜50%. This transfer efficiency is significantly higher than values reported for similar techniques.

The invention relates to a method and a device for optimization of electric fields in measurement cells of Fourier transform ion cyclotron resonance mass spectrometers. The invention is based on the rationale that asymmetric electric fields with uniformly or non-uniformly perturbed field axes can appear in ion cyclotron resonance cells and therefore the axis of the magnetron orbit can become radially displaced. Shifted magnetron orbits negatively affect the cyclotron excitation, deteriorate the FT-ICR signal, increase the intensity of an even-numbered harmonics peak, lead to stronger side bands of the FT-ICR signal, and in extreme cases, cause loss of ions. The present invention helps in probing the shift of the magnetron motion, detecting parameters indicative of the offset of the electric field axis and / or correcting it by trimming it back to the geometric axis of the cell.

The present invention is a method and apparatus for generating a high frequency excitation signal for use in a mass spectrometer. Harmonics or aliases of a fundamental frequency contained in a signal from a digital-to-analog converter are used to excite ions in a Fourier transform ion cyclotron resonance mass spectrometer. The signal from the digital to analog converter may be filtered to remove the fundamental frequency or to remove unwanted harmonics or aliases.

Disclosed is apparatus and method for improving the signal by changing the voltage applied to an analyzing trap of a high resolving power Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometer. More specifically, after the ion activation, a voltage different from that of a trap electrode is applied to an additional electrode in the center of the trap electrode, and the voltage is maintained until the end of a detection cycle. Applying the above method, the stability of the ions confined in a trap is more increased, and therefore, the detected time domain signal is being lengthened. The lengthened time domain signal results in an increase of the frequency or an improvement of the resolving power and the sensitivity of the mass-to-charge domain signal.

A tandem Fourier transform ion cyclotron resonance mass spectrometer is provided. In the mass spectrometer, the ions selected by a FT-ICR mass analyzer, which can perform an ion selection process and a mass measurement process with a time interval between the processes, are transmitted through an ion guide to a collision cell, which is located a predetermined distance from the FT-ICR mass analyzer, to split into fragment ions. The fragment ions are transmitted to the FT-ICR mass analyzer that measures the mass of the fragment ions. The fragment ions are generated in the collision cell 60 established separately from the FT-ICR mass analyzer 40 according to the mass spectrometer. Accordingly, It can solve various problems (e.g., the radius reduction of cyclotron motion of colliding ions, or the removal of periphery gas after generating the fragment ions) occurred in a tandem mass spectrometer using a conventional tandem-in-time mass analysis method. Also, a high resolution and with sensitivity measurement can be achieved. Moreover, when a reagent gas instead of a collision gas in the collision cell is injected, the gas phase reaction of the selected ions and the reagent gas can be observed, and the mass of the ions generated in the gas phase reaction can be measured.

An apparatus and method for performing ion mass spectrometry via Fourier transform ion cyclotron resonance utilizes a superconducting magnet with a bore and a vacuum chamber received in the magnet bore. The superconducting magnet and the vacuum chamber are enclosed in a cooling chamber and cooled together until the operating temperature of the magnet is reached. Because the temperature of the vacuum chamber is similar to the operating temperature of the superconducting magnet during operation, the wall of the vacuum chamber is sufficiently cold to function as a cryogenic vacuum pump to provide enhanced pumping of the volume in the vacuum chamber. The approach of cooling the vacuum chamber wall to provide cryogenic pumping can also be used when the magnet is of a non-superconducting type.

The invention discloses a separation analyzing method for nitrogen-containing compounds in heavy oil. The separation analyzing method includes: preparing a solid phase of a solid-phase extraction chromatographic column; separating alkaline components from non-alkaline components with a solid-phase extraction chromatography; analyzing the separated components by the aid of Fourier transform ion cyclotron resonance high-resolution mass spectra. Low solid phase to oil weight ratio, less flushing solvent dosage, shorter time and less manpower are needed in the method; compared with an existing method, the separation analyzing method has the advantages of higher separation efficiency, better separation effect and higher sample throughout, the method can be used for separation to meet the requirements of sample purity for subsequent analysis and preparing the nitrogen-containing compounds in the heavy oil rapidly to provide necessary sample quantity for subsequent reaction and evaluation experiment, and meanwhile, separation effect evaluation and product composition analysis can be achieved from the molecular level by the aid of the Fourier transform ion cyclotron resonance high-resolution mass spectra.

The invention relates to a method and a device for introducing ions into an ICR cell of Fourier transform ion cyclotron resonance mass spectrometers, in particular with a reduced the magnetron orbit. The invention is based on applying at least one gated DC voltage to a mantle electrode of the ICR cell prior to the excitation of the cyclotron motion such that injected ions are deflected inside the ICR cell in at least one radial direction.

The invention can be summarized as follows. The present invention provides a method of displaying spectroscopic data comprising in steps of, i) obtaining spectroscopic data from a plurality of samples, each sample comprising one or more components wherein each component is characterized by an ordered pair (X,Y) of data comprising data element value X and data element value Y, wherein X is a data element value, equivalent or directly proportional to the mass of the component, and Y is a data element value equivalent or directly proportional to the amount of the component; ii) identifying all unique components comprising a common data element value X in said samples; computing the average of all X therefrom; and determining the average and optionally, the standard deviation for all Y values from all ordered data pairs comprising a common X; iii) generating a data structure comprising an array of codable cells, each cell assigned a color or other identifiable characteristic based on the relationship of the amount of each unique component present in each of said samples in relation to a predetermined value or other characteristic of the spectroscopic data. Also disclosed are data structures comprising spectroscopic data.

A new experimental setup for spatially resolved ambient infrared laser ablation mass spectrometry (AIRLAB-MS) that uses an infrared microscope with an infinity-corrected reflective objective and a continuous flow solvent probe coupled to a Fourier transform ion cyclotron resonance mass spectrometer is described. The efficiency of material transfer from the sample to the electrospray ionization emitter was determined using glycerol / methanol droplets containing 1 mM nicotine and is ˜50%. This transfer efficiency is significantly higher than values reported for similar techniques.

The invention discloses a nanoliter spray -FTICR-MS analysis method and device for organic matters dissolved in an environmental solid sample. The device comprises a nanoliter spray device and a Fourier transform ion cyclotron resonance mass spectrum, wherein the nano-liter spraying device comprises a glass spray head, a conductive needle, a switching rubber head, a duplex pressurizing ball and a gas storage bag, a sample solution loaded by the glass spray head is a mixed solution consisting of interstitial water and an organic solvent, and a nozzle is aligned with a sample inlet of the Fourier transform ion cyclotron resonance mass spectrum. The nano-liter spraying device and the FTICR-MS are combined for use, a sample is purified and enriched through solid-phase extraction, the ionization efficiency is improved and ion selectivity inhibition is reduced by changing the formula of a matrix and nano-liter spraying, direct analysis of interstitial water in an environmental solid sample can be realized, and the key problems that in the prior art, bioactive molecule signals need to be lost through solid-phase extraction pretreatment, and common electrospray source selective signal inhibition is needed are solved.

The invention discloses an oil migration direction tracking method. The method comprises the following steps that 1, at least two oil samples same-source oil derived from the same source rock are collected; 2, the samples are analyzed, wherein Fourier transform ion cyclotron resonance mass spectrometry is carried out; 3, data processing is carried out, the carbon number, abundance and DBE structural information of N1S1 compounds are extracted, and the abundance strengths of three kinds of N1S1 compounds with DBE being equal to 14, 15 and 17 respectively; the oil migration direction is determined, wherein according to the abundance strengths of the three kinds of N1S1 compounds with DBE being equal to 14, 15 and 17 respectively, the abundance strength percentages of the three kinds of compounds are calculated respectively and made into a graph to be analyzed, and the abundance strength percentage increasing direction of the N1S1 compound with the DBE being equal to 15 is the oil migration direction.

A method for tracing the migration direction of petroleum, comprising the following steps: 1) collecting at least two petroleum samples of homogeneous oil derived from the same source rock; 2) sample analysis, performing Fourier transform ion cyclotron resonance mass spectrometry analysis; 3 ) data processing, extract the carbon number, abundance and DBE structure information of N1S1 compounds, and obtain the abundance intensity of DBE=14, DBE=15, DBE=17 three types of N1S1 compounds; 4) determine the oil migration direction: according to DBE=14, DBE=15, DBE=17 Abundance intensity of the three types of N1S1 compounds, respectively calculate the abundance intensity percentages of the three types of compounds, and then analyze the abundance percentages of the three types of compounds, DBE=15 type N1S1 The direction in which the percentage of compound abundance increases is the direction of oil migration.

A system, method and computer program product are provided for calculating one or more indicative properties including 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.

Methods and systems for analyzing ions in a magnetic ion trap are provided herein. In accordance with various aspects of the present teachings, the methods and systems described herein enable Fourier transform ion cyclotron resonance mass spectrometry across relatively narrow gap magnetic fields substantially perpendicular to the axis along which the ions are injected into the ion trap. As a result, smaller, less expensive magnets can be used to produce the high-intensity, uniform magnetic fields utilized in high performance FT-ICR / MS applications. Accordingly, the present teachings enable permanent magnets (as well as electromagnets) to generate these magnetic fields, potentially reducing the cost, size, and / or complexity of the systems described herein relative to conventional FT-ICR systems.

The invention can be summarized as follows. The present invention provides a method of displaying spectroscopic data comprising in steps of, i) obtaining spectroscopic data from a plurality of samples, each sample comprising one or more components wherein each component is characterized by an ordered pair (X,Y) of data comprising data element value X and data element value Y, wherein X is a data element value, equivalent or directly proportional to the mass of the component, and Y is a data element value equivalent or directly proportional to the amount of the component; ii) identifying all unique components comprising a common data element value X in said samples; computing the average of all X therefrom; and determining the average and optionally, the standard deviation for all Y values from all ordered data pairs comprising a common X; iii) generating a data structure comprising an array of codable cells, each cell assigned a color or other identifiable characteristic based on the relationship of the amount of each unique component present in each of said samples in relation to a predetermined value or other characteristic of the spectroscopic data. Also disclosed are data structures comprising spectroscopic data.

A separation and extraction of epimedium herb base A is carried out by extracting Korean epimedium herb leaf by alcohol, concentrating, filtering the extract, removing chlorophyll, obtaining total alkaloid, repeating peritectics the total base by acid base, obtaining purified total alkaloid separating with column chromatography method and high-efficient liquid-phase method combing, and obtaining the pure products of the compound with light yellow powder. The chemical structure is determined by nuclear magnetization, Fourier transform ionic cyclotron resonance spectroscopy, electric spraying spectroscopy, and infrared spectrum style. The compound is quaternary natural base. It achieves more chemical ingredients of epimedium herb plant.

The invention relates to an essence and flavor Fourier transform ion cyclotron resonance mass spectroscopy fingerprint analysis method. The method comprises diluting an essence and flavor sample to be detected through a solvent to obtain a solution of the sample to be detected, carrying out Fourier transform ion cyclotron resonance mass spectroscopy fingerprint analysis on the solution of the sample to be detected through a direct sample introduction method to obtain a fingerprint of the sample to be detected, building a Fourier transform ion cyclotron resonance mass spectroscopy standard spectral library of an essence and flavor standard sample, determining a common characteristic ion peak according to the fingerprint of the sample to be detected and the standard spectral library, calculating a similarity matching score of the essence and flavor sample to be detected and the essence and flavor standard sample according to the response of the common characteristic ion peak in the fingerprint of the sample to be detected and in the standard spectral library, and determining quality stability and difference of the essence and flavor sample to be detected so that essence and flavor Fourier transform ion cyclotron resonance mass spectroscopy fingerprint analysis is finished. The method is free of chromatographic column separation, realizes direct sample introduction and analysis, has a simple pre-treatment process, and realizes fast and accurate analysis.

The invention relates to a method and a device for optimization of electric fields in measurement cells of Fourier transform ion cyclotron resonance mass spectrometers. The invention is based on the rationale that asymmetric electric fields with uniformly or non-uniformly perturbed field axes can appear in ion cyclotron resonance cells and therefore the axis of the magnetron orbit can become radially displaced. Shifted magnetron orbits negatively affect the cyclotron excitation, deteriorate the FT-ICR signal, increase the intensity of an even-numbered harmonics peak, lead to stronger side bands of the FT-ICR signal, and in extreme cases, cause loss of ions. The present invention helps in probing the shift of the magnetron motion, detecting parameters indicative of the offset of the electric field axis and / or correcting it by trimming it back to the geometric axis of the cell.

The invention discloses a sewage plant nitrogen-containing organic matter removal effect evaluation method based on high-resolution mass spectrometry, and belongs to the technical field of sewage treatment, the evaluation method comprises the following steps: (1) pretreating a sewage sample, and enriching nitrogen-containing organic matters in the sewage sample by using a solid phase extraction method; (2) analyzing and detecting nitrogen-containing organic matters in the sewage sample by adopting a Fourier transform ion cyclotron resonance mass spectrometer; (3) constructing a section data set of nitrogen-containing organic matter response peaks according to the nitrogen-containing organic matter spectrogram obtained in the step (2), and calculating and sequencing nitrogen-containing organic matter removal effects by adopting an unsupervised characteristic dimension reduction analysis technology; and (4) evaluating the removal effect of the nitrogen-containing organic matters in the sewage treatment plant according to the sequencing result. The evaluation method provided by the invention has the advantages of strong evaluation result integrity, high consistency and the like, and can be used for comprehensive comparison and evaluation of treatment effects of multiple sewage treatment plants.

The present invention is a method and apparatus for generating a high frequency excitation signal for use in a mass spectrometer. Harmonics or aliases of a fundamental frequency contained in a signal from a digital-to-analog converter are used to excite ions in a Fourier transform ion cyclotron resonance mass spectrometer. The signal from the digital to analog converter may be filtered to remove the fundamental frequency or to remove unwanted harmonics or aliases.