Thermo Finnigan

A method of mass analyzing analytes within a mixture of samples, wherein all analytes from each sample from which the mixture is derived comprise a same isotopic label and wherein a different unique isotopic label is associated with each respective sample, the method comprising: cleaving, within the mass spectrometer, a reporter ion species from ions of an analyte of the mixture, wherein the reporter ion species comprises all of the isotopic labels from each of the differently-labeled samples; mass analyzing the reporter ion species at a first mass-spectral resolution; comparing an observed pattern of intensities of the mass analyzed reporter ion species to a predetermined intensity pattern; and if the observed intensity pattern fails to match the predetermined intensity pattern, mass analyzing the reporter ion species at a second mass spectral resolution that is greater than the first resolution.

Systems/techniques are provided for facilitating non-disruptive and shape-unconstrained leak detection in liquid chromatography. In various embodiments, a system can capture, via at least one camera, at least one timeseries of images depicting an electrospray emitter of a chromatograph. In various aspects, the system, can determine a leak rate afflicting the chromatograph based on: executing a droplet-volume-prediction neural network on respective images of the at least one timeseries of images; executing a droplet-pixel-prediction neural network on respective images of the at least one timeseries of images; or executing a leak-rate-prediction neural network on an entirety of the at least one timeseries of images.

An ion guide includes a series of electrodes disposed between first and second ends of the ion guide. A power source is configured to simultaneously apply voltages that generate a first electric force that urges ions to migrate towards the second end and DC voltages configured to create a DC electric field that generates a second electric force that urges the ions to migrate towards the first end. A controller is configured to determine a target m/z value associated with the ions and set, based on the target m/z value, a magnitude of the DC voltages.

A method of identifying compounds in a sample includes applying a focused ionizing beam to an immobilized sample to ionize a plurality of spots within a plurality of pixels of the sample; performing full mass scan (MS1) of sample ions from a first spot within each of the plurality of pixels; fragmenting ions within a mass window and obtain fragment masses from a plurality of mass windows from the plurality of spots within the plurality of pixels; identifying compounds and locations within the immobilized sample using the fragment masses and the pixel location data.

An ion guide includes a first end, a second end, and a series of electrodes between the first end and second end. A power source applies RF voltage waveforms to the electrodes and DC voltages to the electrodes or an additional series of electrodes to generate moving pseudopotential wells that urge the ions to migrate in a first direction and a static, non-uniform DC electric field that urges the ions to migrate in a second direction. A controller determines target operating points and directs the power source to discontinuously step the operating point of the ion guide through the target operating points. Each target operating point corresponds to a distinct target m/z and comprises a combination of magnitudes of the DC voltages and an amplitude of the RF voltage waveforms that together cause ions having the target m/z to migrate out of the ion guide.

A system for predicting elution times for targeted mass spectrometry determines elution times for a first set of analytes eluting from a separation system. The system accesses metadata associated with analytes included in a second set of analytes, the second set of analytes including at least one analyte not included in the first set of analytes. The system predicts, based on the metadata associated with the analytes included in the second set of analytes and the elution times for the first set of analytes, elution times for the second set of analytes. The system sets, based on the predicted elution times for the second set of analytes, a targeted acquisition schedule for the second set of analytes. The system directs a mass spectrometer to acquire, based on the targeted acquisition schedule, mass spectra of product ions derived from the second set of analytes.

Disclosed herein is a method of analyzing a sample by mass spectrometry. A precursor is acquired from the sample. At least one mass spectrum associated with the precursor is generated based on performing a first level of analysis on the precursor. At least one motif in the precursor is identified based on performing a real-time error-tolerant search of the at least one mass spectrum using stored mass spectral reference data. Based on identifying the at least one motif in the precursor, at least one second level of analysis on the at least one motif is initiated to determine an identity of the precursor.

An ion guide includes a series of electrodes disposed between first and second ends of the ion guide. A controller is configured to determine that the ion guide is to operate in a mass-to-charge ratio (m/z) separation mode to separate ions primarily based on m/z of the ions or an ion mobility separation mode to separate ions primarily based on a mobility of the ions. The controller is further configured to set an attribute of radio-frequency (RF) voltage waveforms that are to be applied to the series of electrodes and to cause the RF voltage waveforms to be applied while the ion guide operates in the select mode. The RF voltage waveforms cause spatial separation of the ions within the ion guide and generate a plurality of moving pseudopotential wells that exert forces that urge the ions to migrate towards the second end of the ion guide.

A position control system may acquire a set of mass spectra by directing an automated positioning system to sequentially position an ionization emitter at a plurality of positions relative to an inlet of a mass spectrometer and directing the mass spectrometer to acquire, while the ionization emitter is positioned at each position of the plurality of positions, a mass spectrum of ions introduced into the inlet. The ions introduced into the inlet include ions emitted from the ionization emitter. The position control system may generate, based on the set of mass spectra, an ion intensity map representing intensity of ions introduced into the inlet of the mass spectrometer as a function of position of the ionization emitter. Based on the ion intensity map, the position control system may identify an optimum position for the ionization emitter.

An ion guide includes a series of electrodes disposed between first and second ends of the ion guide. A power source is configured to simultaneously apply a set of RF voltage waveforms to the series of electrodes, a first set of DC voltages to a first set of electrodes that are adjacent to the first end, and a second set of DC voltages to a second set of electrodes that are adjacent to the second end. The first set of DC voltages is configured to create a first electric field in a first region of the ion guide and the second set of DC voltages is configured to create a second electric field in a second region of the ion guide, the second electric field being uniform across the second region and having an amplitude that is greater than a maximum amplitude of the first electric field.