R.: Atmospheric organic matter in clouds: exact 851 masses and molecular formula identification using ultrahigh-resolution FT-ICR mass 852 spectrometry, Atmos. Chem. Phys., 13, 12343-12362, 2013. 858Zhao, Y., Hallar, A. G., and Mazzoleni, L. R.: Atmospheric organic matter in clouds: ...
accurate mass The mass of an ion of specified isotopic composition, which is calculated by summing the exact masses of the constituent atoms. The empirical formula of an ion can be deduced from the measured accurate mass of the ion if the ion mass is low enough to limit the number of for...
8 The combination of accurate mass and sensitivity is needed for screening of pesticides by their empirical formula. For example, Thurman et al. 9 used an approach of TOF, ion trap, and the Merck Index database to identify pesticides in food and also degradation products, without the initial...
Time-of-flight mass spectrometry coupled with liquid chromatography (TOF-MS) has been developed for screening and determination of benzodiazepines with an exact mass database. Benzodiazepines display similar chemical structures and molecular weights, and thus show similar mass spectra and protonated molecul...
在下文中一共展示了OBMol::GetExactMass方法的6个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的C++代码示例。 示例1: GenerateFormulaReference ▲点赞 9▼ voidGenerateFormulaReference(){std::ifstream ifs;if(!SafeOpen(ifs, smilestypes_fi...
方法名:getNaturalExactMass MolecularFormulaManipulator.getNaturalExactMass介绍 [英]Get the summed natural mass of all elements from an MolecularFormula. [中]从分子式中得到所有元素的总自然质量。 代码示例 代码示例来源:origin: JChemPaint/jchempaint ...
EXACT MASS MEASUREMENT— A POWERFUL TOOL IN IDENTIFICATION AND CONFIRMATION INTRODUCTION The ability to obtain exact mass measurement is a powerful tool in the identification and confirmation of compounds. It has long been recognized that if an ion can be measured with sufficient accuracy it may be...
在下文中一共展示了Atom.getExactMass方法的1个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的C#代码示例。 示例1: prepareAtomWeights /** * Prepare atom weights. Get all atom weights from the sum formula ...
s equations with an expression involving the wave function \(\psi .\) This did not mean, as he wrote in a letter to Planck 6 days later, that “those \(\psi \)-vibrations are mass vibrations in the sense of ordinary mechanics.” At the time, Schrödinger did not envision the wave...
We give recursive formulae for the exact removal of the contribution of the center-of-mass spurious states from the fixed-spin and parity nuclear level density found in shell-model calculations, provided the total level density for restricted configurations is known. The method is valid for a la...