A method identifies glycopeptides in a sample. The method includes converting a mass spectrum of MS1 precursors of the sample into a plurality of nodes in a graph, each node corresponding to one mass and one retention time of a glycopeptide to be identified in the sample; calculating differences in the mass and/or retention time between all combinations of pairs of the nodes; generating a graph theoretic network of the nodes; and predicting compositions of the glycopeptides in the sample based on the graph theoretic network of the nodes so as to identify the glycopeptides.

A gas chromatograph with a positioning system for the inlet liner and the column includes a column and the positioning system for the inlet liner and the column. The column is configured for gas chromatography. Wherein, the positioning system for the inlet liner and the column is configured to position the inlet liner and the column with respect to one another. The positioning system for the inlet liner and the column is configured to repeatably and optimally position the inlet liner and the column with respect to one another. The positioning system for the inlet liner and the column positions the inlet liner in a perpendicular orientation to the column.

Disclosed is an electronic ID database and detection method for pesticide compounds in edible agro-products based on GC-Q-Orbitrap. The electronic ID database includes a collection of various pesticide compounds electronic ID information and is sorted according to retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, mass spectrum, fragment ions information and intelligent matching value. The detection method includes sample pretreatment procedures, setting GC-Q-Orbitrap operating conditions and screening procedures for pesticide residues in samples, wherein setting GC-Q-Orbitrap operating conditions includes setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find out pesticide compounds in electronic ID database. If there is a match, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is less than threshold value, the result is recorded and displayed, and the screening is completed.

Systems and methods are described for reducing lab-to-lab and/or instrument-to-instrument variability of Multi-Attribute Methods (MAM) analyses via run-time signal intensity calibration. In various aspects, multiple MAM-based instruments each have detectors and different instrument conditions defined by different instrument models or sets of settings. Each MAM-based instrument receives respective samples and a reference standard as a calibrant. Each MAM-based instrument detects, via its detector, sample isoforms of its respective sample and reference standard isoforms of the reference standard. The MAM-based instruments are associated with processor(s) that determine, via respective MAM iterations, correction factors and sample abundance values corresponding to the sample isoforms. The correction factors are based on the reference standard, and the sample abundance values are based on the correction factors. A variance value of the sample abundance values may be reduced based on correction factors of each of the MAM-based instruments.

Methods of chromatographic detection are provided that include the step of providing a chromatography instrument without an autosampler, an external device, a pressurized sample injection device and a chromatographic data system. The chromatographic instrument has a sample valve, a column manager and a solvent manager. The present methods further include the steps: injecting sample into the sample valve with a pressurized sample injection device; transmitting a signal from the chromatographic data system to the external device, receiving the signal by the external device, producing an event output with the external device, discharging solvent from the solvent manager into the sample valve, and discharging sample into the column for chromatographic detection.

Disclosed is an electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap. The electronic ID database includes a collection of various pesticides compound electronic ID information, intelligent matching values and collision energies. It is ordered according to the retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, adduct ions information, fragment ions information, collision energies, and the optimal full scan mass spectrum. The detection method includes sample pre-treatment, setting LC-Q-Orbitrap operating conditions and sample pesticide residue screening. Setting LC-Q-Orbitrap operating conditions contain setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find pesticide compounds electronic ID database. If matching, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is same, the result is recorded and displayed, and the screening is completed.

Disclosed is an electronic ID database and detection method for pesticide compounds in edible agro-products based on GC-Q-Orbitrap. The electronic ID database includes a collection of various pesticide compounds electronic ID information and is sorted according to retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, mass spectrum, fragment ions information and intelligent matching value. The detection method includes sample pre-treatment procedures, setting GC-Q-Orbitrap operating conditions and screening procedures for pesticide residues in samples, wherein setting GC-Q-Orbitrap operating conditions includes setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find out pesticide compounds in electronic ID database. If there is a match, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is less than threshold value, the result is recorded and displayed, and the screening is completed.

A method identifies glycopeptides in a sample. The method includes converting a mass spectrum of MS1 precursors of the sample into a plurality of nodes in a graph, each node corresponding to one mass and one retention time of a glycopeptide to be identified in the sample; calculating differences in the mass and/or retention time between all combinations of pairs of the nodes; generating a graph theoretic network of the nodes; and predicting compositions of the glycopeptides in the sample based on the graph theoretic network of the nodes so as to identify the glycopeptides.

A quantitative analysis assistant program that creates a quantitative table showing the relationship of compounds, quantitative values and other related information for each of two data files A and B, and displays on each of the view areas “a” and “b”. The analysis operator specifies one compound in one of the quantitative tables. Then, the other quantitative table is automatically searched for a compound having a name identical to the specified compound. A chromatogram, mass spectrum and other related information corresponding to that compound and are based on data file B are displayed on the view area “b” along with the quantitative table. Then, measurement results corresponding to the compound based on data file A are displayed on view area “a” along with the quantitative table. A comparison of the measurement or quantitative determination results for the same component can be easily and efficiently performed in a simultaneous multicomponent analysis.

A system for managing modular analyzing devices 110a-c includes: a means 161 for acquiring the serial number of modules included in each analyzing device; a means 161 for acquiring information on an expendable part included in each module; a storage section 152 for storing the acquired serial number and expendable-part information in the state of being associated with a system controller to which the module corresponding to the serial number is connected; a transfer detector 164 for detecting a transfer of an operation module based on the serial numbers associated with each system controller; and an information manager 163 for changing the association of the expendable-part information in the storage section, from the state of being associated with the system controller on the giving end of the transfer, to the state of being associated with the system controller on the receiving end of the transfer, when the transfer is detected.