Analysis Apparatus and Analysis Method
AssigneeJEOL Ltd.
InventorsAyumi Kubo, Masaaki Ubukata
Life of this patent
Estimating the term…
Abstract
A retention index is calculated based on a detection time (more specifically, retention time) of a compound. A molecular weight range and a number-of-carbon-atoms range are specified based on the retention index. A search range is determined by the molecular weight range. A molecular peak searcher searches for a molecular peak in the search range which is set on a mass spectrum of the compound. A composition estimator estimates a composition of the compound based on an accurate mass specified from the molecular peak. In this process, the number-of-carbon-atoms range is taken into consideration.
Claims12
An analysis apparatus comprising:
- a calculator that calculates, based on a detection time at which a compound from a gas chromatograph is detected by a mass spectrometer, a retention index of the compound;
- a generator that generates a mass spectrum of the compound based on data acquired through mass spectrometry of the compound;
- a setter that sets a search range on the mass spectrum of the compound based on the retention index;
- and
- an estimator that estimates, when there is a molecular peak corresponding to the compound in the search range of the mass spectrum of the compound, a composition of the compound based on a molecular mass specified from the molecular peak.
An analysis method comprising the steps of:
- calculating, based on a detection time at which a compound from a gas chromatograph is detected by a mass spectrometer, a retention index of the compound;
- generating a mass spectrum of the compound based on data acquired through mass spectrometry of the compound;
- setting a search range on the mass spectrum of the compound based on the retention index;
- and
- estimating, when there is a molecular peak corresponding to the compound in the search range of the mass spectrum of the compound, a composition of the compound based on a molecular mass specified from the molecular peak.
A non-transitory recording medium storing a program which is executed by an information processing apparatus, the program, when executed, causing the information processing apparatus to realize the functions of:
- calculating, based on a detection time at which a compound from a gas chromatograph is detected by a mass spectrometer, a retention index of the compound;
- generating a mass spectrum of the compound based on data acquired through mass spectrometry of the compound;
- setting a search range on the mass spectrum of the compound based on the retention index;
- and
- estimating, when there is a molecular peak corresponding to the compound in the search range of the mass spectrum of the compound, a composition of the compound based on a molecular mass specified from the molecular peak.
Dependencies are inferred from the claim text.