A method of predicting whether an MDS patient has a good or poor prognosis uses a general purpose computer configured as a classifier and mass-spectrometry data obtained from a blood-based sample. The classifier assigns a classification label of either Early or Late (or the equivalent) to the patient's sample. Patients classified as Early are predicted to have a poor prognosis or worse survival whereas those patients classified as Late are predicted to have a relatively better prognosis and longer survival time. The groupings demonstrated a large effect size between groups in Kaplan-Meier analysis of survival. Most importantly, while the classifications generated were correlated with other prognostic factors, such as IPSS score and genetic category, multivariate and subgroup analysis showed that they had significant independent prognostic power complementary to the existing prognostic factors.

Provided is a method for analyzing a sample containing a sialic-acid-containing glycan including a sialic-acid-linkage specific modification, based on mass spectrum data of the sample, including steps of: detecting, from the mass spectrum data, a representative peak for each isotope peak cluster; detecting, from the representative peaks, an isomer peak cluster including multiple ion peaks estimated to be identical in the number of sialic acids and the glycan composition exclusive of the sialic acids; estimating a glycan composition for each representative peak according to predetermined glycan search conditions; creating a mass spectrum with an annotation added for each isomer peak cluster to indicate a correspondence between each peak in one cluster and a peak in a mass spectrum, and displaying the annotated mass spectrum on a display section; and creating a table relating each estimated glycan-composition candidate to an isomer peak cluster, and displaying the table on the display section.

Provided is a method for sorting a number of samples into an appropriate number of clusters according to their characteristics. Highly-correlated peaks are extracted from mass spectrum data obtained for the samples (S2). Using the extracted peaks, highly-correlated sample pairs are extracted (S3). While removing samples having low degrees of correlation, highly-correlated sample pairs are integrated to form core clusters (S4). Using singular peaks characterizing each core cluster, two or more core clusters are integrated to form clusters (S5-S7). These clusters include mixed clusters in which two or more clusters are mixed. Member determination formulae are created based on the singular peaks of each cluster (S8-S12). All samples, including those which have been excluded from the cluster determination process, are classified into clusters based on the member determination formulae (S14). The member determination formulae can also be used to assign a new sample to one of the cluster.

Systems and methods are provided for analyzing a sample using overlapping measured mass selection window widths. A mass range of a sample is divided into two or more target mass selection window widths using a processor. The two or more target widths can have the same width or variable widths. A tandem mass spectrometer is instructed to perform two or more fragmentation scans across the mass range using the processor. Each fragmentation scan of the two or more fragmentation scans includes a measured mass selection window width. The two or more measured widths of the two or more fragmentation scans can have the same width or variable widths. At least two of the two or more measured mass selection window widths overlap. The overlap in measured mass selection window widths corresponds to at least one target mass selection window width.

A charge detection mass spectrometer may include an electrostatic linear ion trap (ELIT) or orbitrap, a source of ions to supply ions to the ELIT or orbitrap, a processor operatively coupled to the ELIT or orbitrap, a display monitor coupled to the processor, and a memory having instructions stored therein executable by the processor to produce a control graphic user interface (GUI) on the display monitor, the control GUI including at least one selectable GUI element for at least one corresponding operating parameter of the ELIT or orbitrap, receive a first user command, via user interaction with the control GUI, corresponding to selection of the at least one selectable GUI element, and control the ELIT or orbitrap to control the at least one corresponding operating parameter of the ELIT or orbitrap in response to receipt of, and based on, the first user command.

A system for separating ions may include an ion source configured to generate ions from a sample, at least one ion separation instrument configured to separate the generated ions as a function of at least one molecular characteristic, and an orbitrap in which a rotating and oscillating ion induces charges on inner and outer electrode halves of the orbitrap, and wherein charge detection circuitry is configured to detect the charges induced on each of the inner electrode halves and on each of the outer electrode halves, and to combine the detected charges for each oscillation to produce a measured ion charge signal.

When conducting imaging mass analysis for a region to be measured on a sample, an individual reference value calculating part obtains a maximum value in P.sub.i/I.sub.i of respective measuring points, and stores the value together with measured data as an individual reference value. When performing comparison analysis for a plurality of the data obtained from different samples, a common reference value determining part reads out corresponding a plurality of the individual reference values and determines a minimum value as a common reference value Fmin. A normalization calculation processing part normalizes the respective intensity values by multiplying the intensity values read out from an external memory device by a normalization coefficient long_Max×(Fmin/P.sub.i) obtained from the common reference value Fmin, TIC values Pi at the respective measuring points, and a maximum allowable value long_Max of a variable storing the intensity values at the time of operation.

The present invention relates to a method of improving a mass spectrometer, a module for improving a mass spectrometer and an improved mass spectrometer. The aforementioned method employs a calibration correction module that calibrates the mass spectrometer so timely, more precise and accurate data can be obtained. In particular, real time, accurate mass determinations of low analyte quantity samples can be obtained.

A dissociation device fragments a precursor ion, producing at least two different product ions with overlapping m/z values in the dissociation device. The dissociation device applies an AC voltage and a DC voltage creating a pseudopotential that traps ions below a threshold m/z including the at least two product ions. The dissociation device receives a charge reducing reagent that causes the trapped at least two product ions to be charge reduced until their m/z values increase above the threshold m/z set by the AC voltage. The increase in the m/z values of the at least two product ions decreases their overlap. The at least two product ions with increased m/z values are transmitted to another device for subsequent mass analysis by applying the DC voltage to the dissociation device relative to a DC voltage applied to the other device.

A method of data-independent mass spectrometric analysis of compounds of a compound class of interest comprises: determining or retrieving a distribution, over a mass-to-charge (m/z) ratio range of interest, of a number of primary ion species of members of said compound class having m/z ratios within each respective one of a plurality of m/z sub-ranges of the m/z ratio range of interest; defining m/z positions of a set consisting of a number, n.sub.sb, of finite-width bins, within the m/z ratio range of interest, the set of bins excluding m/z sub-ranges within the m/z ratio range of interest that encompass fewer than a threshold number, t.sub.sb, of the primary ion species, wherein the defining based on the determined or received distribution; and performing a plurality of tandem mass analyses, each tandem mass analysis pertaining to primary ion species within a respective one of the defined bins.