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科研机构
中南大学 [3]
内容类型
期刊论文 [3]
发表日期
2013 [1]
2010 [1]
2009 [1]
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专题:中南大学
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Strategies for structure elucidation of small molecules using gas chromatography-mass spectrometric data
期刊论文
TrAC - Trends in Analytical Chemistry, 2013, 卷号: 47, 页码: 37-46
作者:
Zhang, Liangxiao*
;
Tang, Chunlan
;
Cao, Dongsheng
;
Zeng, Yingxu
;
Tan, Binbin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
AI
Artificial intelligence
CASE
Computer-aided structure elucidation
CI
Chemical ionization
DA
Dissimilarity analysis
ECL
Equivalent chain length
EI
Electron ionization or electron impact
FAME
Fatty-acid methyl ester
FCL
Fraction chain length
GC-MS
Gas chromatography-mass spectrometry
IR
Infrared
KNN
K-nearest neighbor
LDA
Linear discriminant analysis
m/z
Mass-to-charge ratio
NIST
National Institute of Standards and Technology
NMR
Nuclear magnetic resonance
PCA
Principal component analysis
PLS-DA
Partial least squares discriminant analysis
PUFA
Polyunsaturated fatty acid
QSAR
Quantitative structure-activity relationship
RI
Retention index
RT
Retention time
SVM
Support vector machine
TOF
Time-of-flight
UFA
Unsaturated fatty acid
UV
Ultraviolet
Gas chromatography coupled to mass spectrometry (GC-MS)
Data mining
Identification accuracy
Information extraction
Mass spectral characteristics
Mass spectral transfer
Multivariate analysis
Retention index (RI)
Small molecule
Structure elucidation
Chromatographic fingerprint investigation for quality evaluation and control of Shengui hair-growth tincture.
期刊论文
Planta medica, 2010, 卷号: 76, 期号: 4, 页码: 372-377
作者:
Yang, Hong
;
Chao, Chenxi*
;
Wang, Xiaomei
;
Liang, Yizeng
;
Zeng, Yingxu
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
chromatographic fingerprints
gas chromatography mass spectrometry (GC-MS)
principal component analysis (PCA)
Shengui hair-growth tincture (SGHGT)
Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC–MS and chemometric resolution methods
期刊论文
Journal of Separation Science, 2009, 卷号: 32, 期号: 4, 页码: 660-670
作者:
Zhao, Chenxi*
;
Zeng, Yingxu
;
Wan, Mingzhu
;
Li, Rongxi
;
Liang, Yizeng
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/03
Chemometric resolution method
Essential oils
Gas chromatography–mass spectrometry (GC–MS)
Herbs of pungent flavor and cool nature
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