A method of evaluating an analysis device that is capable of detecting each of a plurality of compounds included in a sample includes introducing the sample including a first compound into the analysis device for measurement and detecting the first compound and at least one reaction product derived from the first compound, and acquiring information representing whether the analysis device is in a suitable state for an analysis based on an intensity of the detected first compound and an intensity of each of the detected at least one reaction product, and a relative response factor in regard to each of the first compound and the at least one reaction product.

The present application is directed to a process for calibrating a detection apparatus, especially an ion mobility spectrometer, using isoflurane (CAS Reg. No. 26675-46-7) as a chemical standard whereby calibrating the detection apparatus for a known target chemical is based on an evaluation of the experimental data collected for the negative isoflurane monomer ion against the experimental data collected for the negative isoflurane dimer ion.

An analytical device includes: a mass spectrometry unit that separates ions based on flight time and detects the ions having been separated; an analysis unit that creates data corresponding to a spectrum in which an intensity of the ions having been detected and the flight time or m/z corresponding to the flight time are associated; a peak width calculation unit that calculates a first peak width at a first intensity and a second peak width at a second intensity different from the first intensity for at least one peak in the spectrum; and an adjustment unit that performs an adjustment of the mass spectrometry unit based on the first peak width and the second peak width.

Methods, compositions, kits, and apparatuses for MS-based quantification of a target analyte (e.g., a peptide, a hormone) in a sample are provided for increasing the productivity and/or throughput of samples by reducing the time and/or cost associated with conventional techniques for external instrument calibration that typically utilize a series of calibrators that are sequentially run through the same analytical process as a batch of samples. In various aspects, calibration mixtures are provided containing a known quantity of a plurality of calibrants for a target analyte of interest, with each calibrant being distinguishable in the calibration mixture by mass spectrometry such that a complete calibration curve can be generated from a single external calibration run.

A method for calibrating at least one analytic device with repeated hardware components is disclosed and comprises providing at least one calibrator sample i having a known target value of a concentration of at least one analyte; at least one measuring step, wherein the measuring step comprises conducting at least one measurement on the calibrator sample using the analytic device, wherein at least one detector signal s.sub.ijk is acquired; at least one calibration step, wherein a relationship between the detector signal and the concentration of the analyte and/or between the detector signal and a theoretical signal value is determined, wherein the calibration step comprises providing at least one parametrized function; determining calibration values by conducting a calibration based on the parametrized function; and determining an analysis function on basis of an inverse of the parametrized function and the determined calibration values.

An IROA Matrix of metabolite compounds is disclosed. Each of whose compounds has a molecular weight of 2000 AMU or less, and is present as first and second isotopomers that are equally present at two predetermined isotopomeric balances, and contain 2 to 10% of a first isotope, and 90 to 98% of a second isotope, respectively. A reagent pair for transforming a natural abundance mass spectral analysis metabolite sample into an IROA sample is also disclosed and comprises two reactively identical reagents that constitute first and second isotopomers containing 2 to 10% of a first isotope, and 90 to 98% of a second isotope, respectively. Each of the reagent pair contains the same reactive group that reacts with and bonds to a functional group of one or more compounds present in a composition of biologically-produced metabolite compounds. Methods of making and using the above and related materials are also disclosed.

An analytical device includes: a first acceleration unit including a first acceleration electrode to which a pulse voltage for accelerating ions is applied; a flight tube; a second acceleration unit that is arranged between the first acceleration unit and the flight tube, and includes a second acceleration electrode to which a voltage for accelerating the ions is applied; an ion detector that detects the ions; and a capacitance adjustment unit that causes adjustment of a capacitance between at least one set of electrodes among a plurality of electrodes arranged in the first acceleration unit, the second acceleration unit, and a flight tube.

A method of mass or ion mobility spectrometry is disclosed comprising: providing an ion source for generating analyte ions and reference ions; providing a mass analyzer or ion mobility separator (IMS); providing an ion trap between the ion source and the mass analyzer or IMS; guiding reference ions from the ion source into the ion trap and trapping the reference ions in the ion trap; guiding the analyte ions from the ion source into the mass analyzer or IMS, wherein the analyte ions bypass the ion trap; and releasing reference ions from the ion trap into the mass analyzer or IMS for analysis.

A tuning system may acquire, from a mass spectrometer during a batch of one or more analytical runs performed with the mass spectrometer, tune data associated with an operating characteristic of the mass spectrometer. The tuning system may determine, based on the tune data, a value of an operating parameter configured to adjust the operating characteristic of the mass spectrometer and set the operating parameter to the determined value.

A display area 60 of a display unit of a mass spectrometer shows a result of tuning. The display area 60 includes: a tuning-item displaying section 62 configured to display all tuning items and a result of whether each tuning item has been tuned; and an analyzable-condition displaying section 63 configured to display a condition under which an analysis is possible based on the result. The tuning items may be displayed respectively and individually. Alternatively, the tuning items may be displayed in a grouped manner with a plurality of tuning items in a group. Consequently, a user knows, at a glance, whether the tuning necessary for an analysis that the user intends to perform has been performed. If a necessary tuning item has not been tuned, the user immediately starts to tune (only) the tuning item. Further, a user immediately knows in a current state of tuning whether the analysis that the user intends to perform is possible. Therefore, when the analysis is possible, the user can start the analysis. When the analysis is impossible, the user can tune only the tuning item that has not been tuned and is displayed on the tuning-item displaying section 62.