Massenspektrometrische Befunde im Urin nach Einnahme von Dihydrocodein (Paracodin?) und Pentazocin (Fortral?)

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Mass spectral findings in urine after ingestion of dihydrocodeine (Paracodin^®) and pentazocine (Fortral^®)

     

Extending the working calibration ranges of four hexachlorocyclohexane isomers in gas chromatography-electron capture detector by radial basis function neural network

A radial basis function neural network (RBFNN) method was developed for the first time to model the nonlinear calibration curves of four hexachlorocyclohexane (HCH) isomers, aiming to extend their working calibration ranges in gas chromatography-electron capture detector (GC-ECD). Other 14 methods, including seven parametric curve fitting methods, two nonparametric curve fitting methods, and five other artificial neural network (ANN) methods, were also developed and compared. Only the RBFNN method, with logarithm-transform and normalization operation on the calibration data, was able to model the nonlinear calibration curves of the four HCH isomers adequately. The RBFNN method accurately predicted the concentrations of HCH isomers within and out of the linear ranges in certified test samples. Furthermore, no significant difference (p > 0.05) was found between the results of HCH isomers concentrations in water samples calculated with RBFNN method and ordinary least squares (OLS) method (R² > 0.9990). Conclusively, the working calibration ranges of the four HCH isomers were extended from 0.08-60 ng/ml to 0.08-1000 ng/ml without sacrificing accuracy and precision by means of RBFNN. The outstanding nonlinear modeling capability of RBFNN, along with its universal applicability to various problems as a “soft” modeling method, should make the method an appealing alternative to traditional modeling methods in the calibration analyses of various systems besides the GC-ECD.     

2-乙酰己酸乙酯的质谱分析

乙酰乙酸乙酯是重要的医药、农药中间体,其中2-乙酰己酸乙酯是重要的医药、农药中间体,如由它可制得治疗免疫系统疾病的药物(可用于爱滋病的控制)[1]、安全效果较高的麻醉剂[2]、广泛使用的香料等[3-4].     

Discrimination of Structural Isomers of Aromatic Compounds with EI Mass Spectra and Their Ionization Efficiency Curves of Dehydrogenated Fragment Ions

Wehavereportedtheeffectofovercrowdinginthemassspectfaofcondensedpolycyclicaromaticcompounds'-'.Themassdifferencebetweenamolecularionandthemostintensefragmentionintheionfamilyofthehighestvalencecorrespondstothenumberofovercrowdedhydrogenatomsdetachingfromtheparention,andtheirmasspatternsaredifferentwiththetypeofovercrowding,i.e.fjord-orcrab-likeovercrowding.Thehighabundanceofspecificfragmentionsat70Vwascorrelatedwiththeloweringoftheirappearanceenergies.Hereweinvestigatedthemassspectraandthemech…     

Study on the reactions of pyridine with fluorine-containing compounds in the gas-phase by electron impact/Fourier transfer ion cyclotron resonance mass spectrometry

The gas-phase ion-molecule reactions of pyridine and fluorine-containing compounds have been studied by the electron impact/Fourier transfer ion cyclotron resonance mass spectrometry (EI/FTICRMS). Comparing the reaction of the standard sample perfluorotributylamine (PFTBA), in the case of 3-oxa-5-iodo-octafluoropentylsulfonyl azide (ICF₂CF₂OCF₂CF₂SO₂N₃), a series of addition-elimination products and loss 28 from the expected adducts were obtained. Possible reaction mechanism was discussed, which was consistent with the results obtained in the condensed phase. These results demonstrated that EI/FTICRMS is a complementary technique for study of the organic reactions.     

Studies on the Mass Spectra of Monocyclic N‐Aryl‐δ‐Valerolactams

The fragmental behavior of some monocyclic N‐aryl‐δ‐valerolactams in EI‐MS was studied. Their molecular ion peak, together with some characteristic fragments such as [M‐29]⁺, [M‐56]^+?, [M‐69]⁺, and [M‐98]⁺, were always found in a series of N‐aryl‐δ‐valerolactams in EI‐MS spectra. Furthermore, the mechanism for the interpretation of each fragment is described.     

Organic Light Emitting Diodes with Lithium Contained Alq3 as Electron Injection Layer

ＩｎｔｒｏｄｕｃｔｉｏｎＩｎｏｒｇａｎｉｃｌｉｇｈｔｅｍｉｔｔｉｎｇｄｉｏｄｅ(ＯＬＥＤ) ,ｓｏｍｅｍｅｔａｌｓｗｉｔｈｌｏｗｗｏｒｋｆｕｎｃｔｉｏｎ ,ｓｕｃｈａｓａｌｌｏｙｏｆｍａｇ ｎｅｓｉｕｍａｎｄｓｉｌｖｅｒ(Ｍｇ∶Ａｇ) [1] ａｎｄａｌｕｍｉｎｉｕｍ[2 ] ,ａｒｅｕｓｅｄａｓｔｈｅｅｌｅｃｔｒｏｎｉｎｊｅｃｔｉｏｎｃａｔｈｏｄｅｓ .ＩｎＭｇ∶Ａｇａｌ ｌｏｙｓｉｌｖｅｒｉｓｕｓｅｄｔｏｐｒｏｔｅｃｔｍａｇｎｅｓｉｕｍｆｒｏｍｔｈｅｒｅａｃ ｔｉｏｎｏｆｍａｇｎｅｓｉｕｍｗｉｔｈｏｘｙｇｅｎａｎｄ…