Integrated Strategy for Unknown EI–MS Identification Using Quality Control Calibration Curve, Multivariate Analysis, EI–MS Spectral Database, and Retention Index Prediction-Reference-Cited by-同舟云学术

Integrated Strategy for Unknown EI–MS Identification Using Quality Control Calibration Curve, Multivariate Analysis, EI–MS Spectral Database, and Retention Index Prediction

Published:2017-05-26 Issue:12 Volume:89 Page:6766-6773
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Matsuo Teruko¹,Tsugawa Hiroshi¹²³^ORCID,Miyagawa Hiromi⁴,Fukusaki Eiichiro¹

Affiliation:

1. Department of Biotechnology, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan

2. RIKEN Center for Sustainable Resource Science, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

3. RIKEN Center for Integrative Medical Sciences, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

4. GL Sciences Inc., Iruma, Saitama 358-0032, Japan

Funder

Core Research for Evolutional Science and Technology

Japan Agency for Medical Research and Development

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.7b01010

Reference26 articles.

1. Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics

2. MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

3. Metabolomics: beyond biomarkers and towards mechanisms

4. GC/MS based metabolomics: development of a data mining system for metabolite identification by using soft independent modeling of class analogy (SIMCA)

5. Mass spectral fragmentation of trimethylsilylated small molecules

Cited by 42 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Novel sampling and gas-phase derivatization strategy: Proof-of-concept by profiling ionic polar metabolites using gas chromatography-mass spectrometry;Journal of Bioscience and Bioengineering;2024-09

2. An in silico study on human carcinogenicity mechanism of polybrominated biphenyls exposure;Chemico-Biological Interactions;2024-07

3. Spectral Deconvolution for Small Molecule Analysis;Journal of the Mass Spectrometry Society of Japan;2024-06-01

4. Chemometrics in Quality Control of Traditional Chinese Medicines;Quality Control of Chinese Medicines;2024

5. Prediction of structure based on spectral data using computational techniques;Computational Phytochemistry;2024