DICP OpenIR
Subject Area物理化学
Neutral losses: A type of important variables in prediction of branching degree for acyclic alkenes from mass spectra
Zhang, Liangxiao1,2; Fan, Wei1; Cao, Dongsheng1; Zeng, Maomao3; Xiao, Hongbin2; Liang, Yizeng1; YizengLiang
KeywordDissimilarity Analysis Acyclic Alkene Neutral Loss Mass Spectra Branching Degree Predictor
Source PublicationANALYTICA CHIMICA ACTA
2012-03-30
DOI10.1016/j.aca.2011.11.040
Volume720Pages:16-21
Indexed BySCI
SubtypeArticle
Department18
Funding Project1804
Contribution Rank2,1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Analytical
WOS Research AreaChemistry
WOS KeywordCLASSIFICATION ; IDENTIFICATION ; CHROMATOGRAPHY ; ALGORITHMS ; GASOLINE ; SPECTROMETRY ; PERFORMANCE ; CLASSIFIERS ; OCTENES
AbstractNeutral losses are a type of important variables in mass spectral interpretation. Since it is hard to calculate or extract neutral losses from mass spectra, they are usually discarded. In this study, dissimilarity analysis was employed to extract mass spectral characteristics for predicting branching degree of acyclic alkenes. The relationships between branching degree and neutral loss were constructed under direction of experimental observation and mass spectral fragmentations. A branching degree predictor of acyclic alkenes was subsequently built based on the above relationships. After tested by the experimental data in previous studies, the predictor could correctly provide the branching degree from abundant ions of mass spectra. More importantly, this predictor was able to point out which acyclic alkenes could be predicted correctly or not. (C) 2012 Published by Elsevier B.V.
Language英语
WOS IDWOS:000301689100003
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/117954
Collection中国科学院大连化学物理研究所
Corresponding AuthorYizengLiang
Affiliation1.Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
3.Jiangnan Univ, State Key Lab Food Sci & Technol, Wuxi 214122, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Liangxiao,Fan, Wei,Cao, Dongsheng,et al. Neutral losses: A type of important variables in prediction of branching degree for acyclic alkenes from mass spectra[J]. ANALYTICA CHIMICA ACTA,2012,720:16-21.
APA Zhang, Liangxiao.,Fan, Wei.,Cao, Dongsheng.,Zeng, Maomao.,Xiao, Hongbin.,...&YizengLiang.(2012).Neutral losses: A type of important variables in prediction of branching degree for acyclic alkenes from mass spectra.ANALYTICA CHIMICA ACTA,720,16-21.
MLA Zhang, Liangxiao,et al."Neutral losses: A type of important variables in prediction of branching degree for acyclic alkenes from mass spectra".ANALYTICA CHIMICA ACTA 720(2012):16-21.
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