Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry
Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry
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DOI：
10.1016/j.jaap.2012.01.018
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发表时间：
2012-05-01
影响因子：
6
通讯作者：
Nkansah, Kofi
中科院分区：
文献类型：
--
作者：
Cody, Robert B.;Dane, A. John;Nkansah, Kofi
采用实时裂解直接分析(DART)电离与飞行时间(TOF)联用的方法，对34个红栎(Quercus Rubra)和50个白栎(Quercus Alba)样品进行了分析。虽然正离子质谱图没有明显的差异，但负离子质谱图显示出明显的差异。对11个负离子质谱峰的相对丰度进行了主成分分析(PCA)和线性判别分析(LDA)，其中包括初步归属的去质子酸、苹果酸、没食子酸、二甲氧基肉桂酸和鞣花酸。留一法交叉验证(LOOCV)对PCA和LDA的样本分类均100%成功。(C)2012爱思唯尔B.V.保留所有权利。
Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA. (C) 2012 Elsevier B.V. All rights reserved.