-
1
-
-
50049096775
-
XCMS2: Processing tandem mass spectrometry data for metabolite identification and structural characterization
-
Benton, H. P., Wong, D. M., Trauger, S. A., & Siuzdak, G. (2008). XCMS2: Processing tandem mass spectrometry data for metabolite identification and structural characterization. Analytical Chemistry, 80, 6382-6389.
-
(2008)
Analytical Chemistry
, vol.80
, pp. 6382-6389
-
-
Benton, H.P.1
Wong, D.M.2
Trauger, S.A.3
Siuzdak, G.4
-
2
-
-
78649402523
-
Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation
-
Bonn, B., Leandersson, C., Fontaine, F., & Zamora, I. (2010). Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation. Rapid Communications in Mass Spectrometry: RCM, 24, 3127-3138.
-
(2010)
Rapid Communications in Mass Spectrometry: RCM
, vol.24
, pp. 3127-3138
-
-
Bonn, B.1
Leandersson, C.2
Fontaine, F.3
Zamora, I.4
-
3
-
-
67649834742
-
Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics
-
Brown, M., Dunn, W. B., Dobson, P., et al. (2009). Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics. The Analyst, 134, 1322-1332.
-
(2009)
The Analyst
, vol.134
, pp. 1322-1332
-
-
Brown, M.1
Dunn, W.B.2
Dobson, P.3
-
4
-
-
79954519624
-
Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets
-
Brown, M., Wedge, D. C., Goodacre, R., et al. (2011). Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets. Bioinformatics, 27, 1108-1112.
-
(2011)
Bioinformatics
, vol.27
, pp. 1108-1112
-
-
Brown, M.1
Wedge, D.C.2
Goodacre, R.3
-
5
-
-
39449129263
-
Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information
-
Chen, J., Zhao, X., Fritsche, J., et al. (2008). Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information. Analytical Chemistry, 80, 1280-1289.
-
(2008)
Analytical Chemistry
, vol.80
, pp. 1280-1289
-
-
Chen, J.1
Zhao, X.2
Fritsche, J.3
-
6
-
-
71949083077
-
Metabolomics profiling of extracellular metabolites in recombinant Chinese Hamster Ovary fed-batch culture
-
Chong, W. P., Goh, L. T., Reddy, S. G., et al. (2009). Metabolomics profiling of extracellular metabolites in recombinant Chinese Hamster Ovary fed-batch culture. Rapid Communications in Mass Spectrometry: Rcm, 23, 3763-3771.
-
(2009)
Rapid Communications in Mass Spectrometry: Rcm
, vol.23
, pp. 3763-3771
-
-
Chong, W.P.1
Goh, L.T.2
Reddy, S.G.3
-
7
-
-
81255144050
-
Toward global metabolomics analysis with hydrophilic interaction liquid chromatography-mass spectrometry: Improved metabolite identification by retention time prediction
-
Creek, D. J., Jankevics, A., Breitling, R., Watson, D. G., Barrett, M. P., & Burgess, K. E. (2011). Toward global metabolomics analysis with hydrophilic interaction liquid chromatography-mass spectrometry: Improved metabolite identification by retention time prediction. Analytical Chemistry, 83, 8703-8710.
-
(2011)
Analytical Chemistry
, vol.83
, pp. 8703-8710
-
-
Creek, D.J.1
Jankevics, A.2
Breitling, R.3
Watson, D.G.4
Barrett, M.P.5
Burgess, K.E.6
-
8
-
-
38949178155
-
Metabolite identification via the Madison metabolomics consortium database
-
Cui, Q., Lewis, I. A., Hegeman, A. D., et al. (2008). Metabolite identification via the Madison metabolomics consortium database. Nature Biotechnology, 26, 162-164.
-
(2008)
Nature Biotechnology
, vol.26
, pp. 162-164
-
-
Cui, Q.1
Lewis, I.A.2
Hegeman, A.D.3
-
9
-
-
33846000626
-
Mass spectrometry-based metabolomics
-
Dettmer, K., Aronov, P. A., & Hammock, B. D. (2007). Mass spectrometry-based metabolomics. Mass Spectrometry Reviews, 26, 51-78.
-
(2007)
Mass Spectrometry Reviews
, vol.26
, pp. 51-78
-
-
Dettmer, K.1
Aronov, P.A.2
Hammock, B.D.3
-
10
-
-
68949163674
-
Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules
-
Draper, J., Enot, D. P., Parker, D., et al. (2009). Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules'. BMC Bioinformatics, 10, 227.
-
(2009)
BMC Bioinformatics
, vol.10
, pp. 227
-
-
Draper, J.1
Enot, D.P.2
Parker, D.3
-
11
-
-
79959913950
-
Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
-
Dunn, W. B., Broadhurst, D., Begley, P., et al. (2011). Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nature Protocols, 6, 1060-1083.
-
(2011)
Nature Protocols
, vol.6
, pp. 1060-1083
-
-
Dunn, W.B.1
Broadhurst, D.2
Begley, P.3
-
12
-
-
0036007687
-
Metabolomics-the link between genotypes and phenotypes
-
Fiehn, O. (2002). Metabolomics-the link between genotypes and phenotypes. Plant Molecular Biology, 48, 155-171.
-
(2002)
Plant Molecular Biology
, vol.48
, pp. 155-171
-
-
Fiehn, O.1
-
13
-
-
0032729435
-
Exploring expression data: Identification and analysis of coexpressed genes
-
Heyer, L. J., Kruglyak, S., & Yooseph, S. (1999). Exploring expression data: Identification and analysis of coexpressed genes. Genome Research, 9, 1106-1115.
-
(1999)
Genome Research
, vol.9
, pp. 1106-1115
-
-
Heyer, L.J.1
Kruglyak, S.2
Yooseph, S.3
-
14
-
-
77954439868
-
MassBank: A public repository for sharing mass spectral data for life sciences
-
Horai, H., Arita, M., Kanaya, S., et al. (2010). MassBank: A public repository for sharing mass spectral data for life sciences. Journal of Mass Spectrometry: JMS, 45, 703-714.
-
(2010)
Journal of Mass Spectrometry: JMS
, vol.45
, pp. 703-714
-
-
Horai, H.1
Arita, M.2
Kanaya, S.3
-
15
-
-
18344364097
-
The Orbitrap: A new mass spectrometer
-
Hu, Q., Noll, R. J., Li, H., Makarov, A., Hardman, M., & Graham Cooks, R. (2005). The Orbitrap: A new mass spectrometer. Journal of Mass Spectrometry: JMS, 40, 430-443.
-
(2005)
Journal of Mass Spectrometry: JMS
, vol.40
, pp. 430-443
-
-
Hu, Q.1
Noll, R.J.2
Li, H.3
Makarov, A.4
Hardman, M.5
Graham Cooks, R.6
-
16
-
-
44349092469
-
Metabolite annotations based on the integration of mass spectral information
-
Iijima, Y., Nakamura, Y., Ogata, Y., et al. (2008). Metabolite annotations based on the integration of mass spectral information. The Plant journal: for Cell and Molecular Biology, 54, 949-962.
-
(2008)
The Plant Journal: For Cell and Molecular Biology
, vol.54
, pp. 949-962
-
-
Iijima, Y.1
Nakamura, Y.2
Ogata, Y.3
-
17
-
-
68149099597
-
Metabolomics reveals metabolic biomarkers of Crohn's disease
-
Jansson, J., Willing, B., Lucio, M., et al. (2009). Metabolomics reveals metabolic biomarkers of Crohn's disease. PLoS ONE, 4, e6386.
-
(2009)
PLoS ONE
, vol.4
-
-
Jansson, J.1
Willing, B.2
Lucio, M.3
-
18
-
-
77955790535
-
Fourier transform mass spectrometry for metabolome analysis
-
Junot, C., Madalinski, G., Tabet, J. C., & Ezan, E. (2010). Fourier transform mass spectrometry for metabolome analysis. The Analyst, 135, 2203-2219.
-
(2010)
The Analyst
, vol.135
, pp. 2203-2219
-
-
Junot, C.1
Madalinski, G.2
Tabet, J.C.3
Ezan, E.4
-
19
-
-
84858983547
-
KEGG for integration and interpretation of large-scale molecular data sets
-
Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., & Tanabe, M. (2012). KEGG for integration and interpretation of large-scale molecular data sets. Nucleic Acids Research, 40, D109-D114.
-
(2012)
Nucleic Acids Research
, vol.40
-
-
Kanehisa, M.1
Goto, S.2
Sato, Y.3
Furumichi, M.4
Tanabe, M.5
-
20
-
-
33646754900
-
Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm
-
Kind, T., & Fiehn, O. (2006). Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm. BMC Bioinformatics, 7, 234.
-
(2006)
BMC Bioinformatics
, vol.7
, pp. 234
-
-
Kind, T.1
Fiehn, O.2
-
21
-
-
34247163207
-
Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry
-
Kind, T., & Fiehn, O. (2007). Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics, 8, 105.
-
(2007)
BMC Bioinformatics
, vol.8
, pp. 105
-
-
Kind, T.1
Fiehn, O.2
-
22
-
-
48749132804
-
Analytical strategies for LC-MS-based targeted metabolomics
-
Lu, W., Bennett, B. D., & Rabinowitz, J. D. (2008). Analytical strategies for LC-MS-based targeted metabolomics. Journal of Chromatography B, Analytical Technologies in the Biomedical and Life Sciences, 871, 236-242.
-
(2008)
Journal of Chromatography B, Analytical Technologies in the Biomedical and Life Sciences
, vol.871
, pp. 236-242
-
-
Lu, W.1
Bennett, B.D.2
Rabinowitz, J.D.3
-
23
-
-
72949116339
-
Metabolic profiling of the fission yeast S. pombe: Quantification of compounds under different temperatures and genetic perturbation
-
Pluskal, T., Nakamura, T., Villar-Briones, A., & Yanagida, M. (2010). Metabolic profiling of the fission yeast S. pombe: Quantification of compounds under different temperatures and genetic perturbation. Molecular BioSystems, 6, 182-198.
-
(2010)
Molecular BioSystems
, vol.6
, pp. 182-198
-
-
Pluskal, T.1
Nakamura, T.2
Villar-Briones, A.3
Yanagida, M.4
-
25
-
-
60149097657
-
Probabilistic assignment of formulas to mass peaks in metabolomics experiments
-
Rogers, S., Scheltema, R. A., Girolami, M., & Breitling, R. (2009). Probabilistic assignment of formulas to mass peaks in metabolomics experiments. Bioinformatics, 25, 512-518.
-
(2009)
Bioinformatics
, vol.25
, pp. 512-518
-
-
Rogers, S.1
Scheltema, R.A.2
Girolami, M.3
Breitling, R.4
-
26
-
-
78650907092
-
Applications of liquid chromatography coupled to mass spectrometry-based metabolomics in clinical chemistry and toxicology: A review
-
Roux, A., Lison, D., Junot, C., & Heilier, J. F. (2011). Applications of liquid chromatography coupled to mass spectrometry-based metabolomics in clinical chemistry and toxicology: A review. Clinical Biochemistry, 44, 119-135.
-
(2011)
Clinical Biochemistry
, vol.44
, pp. 119-135
-
-
Roux, A.1
Lison, D.2
Junot, C.3
Heilier, J.F.4
-
27
-
-
77951880802
-
Metabolomics for functional genomics, systems biology, and biotechnology
-
Saito, K., & Matsuda, F. (2010). Metabolomics for functional genomics, systems biology, and biotechnology. Annual Review of Plant Biology, 61, 463-489.
-
(2010)
Annual Review of Plant Biology
, vol.61
, pp. 463-489
-
-
Saito, K.1
Matsuda, F.2
-
28
-
-
63449119987
-
Molecular formula and METLIN personal metabolite database matching applied to the identification of compounds generated by LC/TOF-MS
-
Sana, T. R., Roark, J. C., Li, X., Waddell, K., & Fischer, S. M. (2008). Molecular formula and METLIN personal metabolite database matching applied to the identification of compounds generated by LC/TOF-MS. Journal of Biomolecular Techniques: JBT, 19, 258-266.
-
(2008)
Journal of Biomolecular Techniques: JBT
, vol.19
, pp. 258-266
-
-
Sana, T.R.1
Roark, J.C.2
Li, X.3
Waddell, K.4
Fischer, S.M.5
-
29
-
-
84857745267
-
Database resources of the National Center for Biotechnology Information
-
Sayers, E. W., Barrett, T., Benson, D. A., et al. (2012). Database resources of the National Center for Biotechnology Information. Nucleic Acids Research, 40, D13-D25.
-
(2012)
Nucleic Acids Research
, vol.40
-
-
Sayers, E.W.1
Barrett, T.2
Benson, D.A.3
-
30
-
-
74449085466
-
Mass-spectrometry-based metabolomics: Limitations and recommendations for future progress with particular focus on nutrition research
-
Scalbert, A., Brennan, L., Fiehn, O., et al. (2009). Mass-spectrometry-based metabolomics: Limitations and recommendations for future progress with particular focus on nutrition research. Metabolomics: Official Journal of the Metabolomic Society, 5, 435-458.
-
(2009)
Metabolomics: Official Journal of the Metabolomic Society
, vol.5
, pp. 435-458
-
-
Scalbert, A.1
Brennan, L.2
Fiehn, O.3
-
31
-
-
78049341926
-
Simple data-reduction method for high-resolution LC-MS data in metabolomics
-
Scheltema, R., Decuypere, S., Dujardin, J., Watson, D., Jansen, R., & Breitling, R. (2009). Simple data-reduction method for high-resolution LC-MS data in metabolomics. Bioanalysis, 1, 1551-1557.
-
(2009)
Bioanalysis
, vol.1
, pp. 1551-1557
-
-
Scheltema, R.1
Decuypere, S.2
Dujardin, J.3
Watson, D.4
Jansen, R.5
Breitling, R.6
-
32
-
-
84862784156
-
Combined in silico modeling and metabolomics analysis to characterize fed-batch CHO cell culture
-
Selvarasu, S., Ho, Y. S., Chong, W. P., et al. (2012). Combined in silico modeling and metabolomics analysis to characterize fed-batch CHO cell culture. Biotechnology and Bioengineering, 109, 1415-1429.
-
(2012)
Biotechnology and Bioengineering
, vol.109
, pp. 1415-1429
-
-
Selvarasu, S.1
Ho, Y.S.2
Chong, W.P.3
-
33
-
-
32444432587
-
METLIN: A metabolite mass spectral database
-
Smith, C. A., O'Maille, G., Want, E. J., et al. (2005). METLIN: A metabolite mass spectral database. Therapeutic Drug Monitoring, 27, 747-751.
-
(2005)
Therapeutic Drug Monitoring
, vol.27
, pp. 747-751
-
-
Smith, C.A.1
O'Maille, G.2
Want, E.J.3
-
34
-
-
32444446805
-
XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
-
Smith, C. A., Want, E. J., O'Maille, G., Abagyan, R., & Siuzdak, G. (2006). XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Analytical Chemistry, 78, 779-787.
-
(2006)
Analytical Chemistry
, vol.78
, pp. 779-787
-
-
Smith, C.A.1
Want, E.J.2
O'Maille, G.3
Abagyan, R.4
Siuzdak, G.5
-
35
-
-
33750990835
-
Isotope pattern evaluation for the reduction of elemental compositions assigned to high-resolution mass spectral data from electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry
-
Stoll, N., Schmidt, E., & Thurow, K. (2006). Isotope pattern evaluation for the reduction of elemental compositions assigned to high-resolution mass spectral data from electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. Journal of the American Society for Mass Spectrometry, 17, 1692-1699.
-
(2006)
Journal of the American Society for Mass Spectrometry
, vol.17
, pp. 1692-1699
-
-
Stoll, N.1
Schmidt, E.2
Thurow, K.3
-
36
-
-
84862158914
-
MMMDB: Mouse multiple tissue metabolome database
-
Sugimoto, M., Ikeda, S., Niigata, K., Tomita, M., Sato, H., & Soga, T. (2012). MMMDB: Mouse multiple tissue metabolome database. Nucleic Acids Research, 40, D809-D814.
-
(2012)
Nucleic Acids Research
, vol.40
-
-
Sugimoto, M.1
Ikeda, S.2
Niigata, K.3
Tomita, M.4
Sato, H.5
Soga, T.6
-
37
-
-
40549100747
-
Metabolomics data analysis, visualization, and integration
-
Sumner, L. W., Urbanczyk-Wochniak, E., & Broeckling, C. D. (2007). Metabolomics data analysis, visualization, and integration. Methods in Molecular Biology, 406, 409-436.
-
(2007)
Methods in Molecular Biology
, vol.406
, pp. 409-436
-
-
Sumner, L.W.1
Urbanczyk-Wochniak, E.2
Broeckling, C.D.3
-
38
-
-
34548061315
-
Annotation of LC/ESI-MS Mass Signals
-
S. Hochreiter and R. Wagner (Eds.), Berlin, Heidelberg: Springer
-
Tautenhahn, R., Böttcher, C., & Neumann, S. (2007). Annotation of LC/ESI-MS Mass Signals. In S. Hochreiter & R. Wagner (Eds.), Bioinformatics research and development. Lecture notes in computer science vol. 4414 (pp. 371-380). Berlin, Heidelberg: Springer.
-
(2007)
Bioinformatics Research and Development. Lecture Notes in Computer Science Vol. 4414
, pp. 371-380
-
-
Tautenhahn, R.1
Böttcher, C.2
Neumann, S.3
-
39
-
-
0035891053
-
Choosing between atmospheric pressure chemical ionization and electrospray ionization interfaces for the HPLC/MS analysis of pesticides
-
Thurman, E. M., Ferrer, I., & Barcelo, D. (2001). Choosing between atmospheric pressure chemical ionization and electrospray ionization interfaces for the HPLC/MS analysis of pesticides. Analytical Chemistry, 73, 5441-5449.
-
(2001)
Analytical Chemistry
, vol.73
, pp. 5441-5449
-
-
Thurman, E.M.1
Ferrer, I.2
Barcelo, D.3
-
40
-
-
84867215398
-
Liquid chromatography-mass spectrometry-based metabolomics for authenticity assessment of fruit juices
-
Vaclavik, L., Schreiber, A., Lacina, O., Cajka, T., & Hajslova, J. (2012). Liquid chromatography-mass spectrometry-based metabolomics for authenticity assessment of fruit juices. Metabolomics: Official Journal of the Metabolomic Society, 8, 793-803.
-
(2012)
Metabolomics: Official Journal of the Metabolomic Society
, vol.8
, pp. 793-803
-
-
Vaclavik, L.1
Schreiber, A.2
Lacina, O.3
Cajka, T.4
Hajslova, J.5
-
41
-
-
83455208035
-
Ultra-performance liquid chromatography coupled to mass spectrometry as a sensitive and powerful technology for metabolomic studies
-
Wang, X., Sun, H., Zhang, A., Wang, P., & Han, Y. (2011). Ultra-performance liquid chromatography coupled to mass spectrometry as a sensitive and powerful technology for metabolomic studies. Journal of Separation Science, 34, 3451-3459.
-
(2011)
Journal of Separation Science
, vol.34
, pp. 3451-3459
-
-
Wang, X.1
Sun, H.2
Zhang, A.3
Wang, P.4
Han, Y.5
-
42
-
-
77952205557
-
Global metabolic profiling procedures for urine using UPLC-MS
-
Want, E. J., Wilson, I. D., Gika, H., et al. (2010). Global metabolic profiling procedures for urine using UPLC-MS. Nature Protocols, 5, 1005-1018.
-
(2010)
Nature Protocols
, vol.5
, pp. 1005-1018
-
-
Want, E.J.1
Wilson, I.D.2
Gika, H.3
-
43
-
-
46849103589
-
Mass spectrometry-based metabolomics: Accelerating the characterization of discriminating signals by combining statistical correlations and ultrahigh resolution
-
Werner, E., Croixmarie, V., Umbdenstock, T., et al. (2008). Mass spectrometry-based metabolomics: Accelerating the characterization of discriminating signals by combining statistical correlations and ultrahigh resolution. Analytical Chemistry, 80, 4918-4932.
-
(2008)
Analytical Chemistry
, vol.80
, pp. 4918-4932
-
-
Werner, E.1
Croixmarie, V.2
Umbdenstock, T.3
-
44
-
-
58149202163
-
HMDB: A knowledgebase for the human metabolome
-
Wishart, D. S., Knox, C., Guo, A. C., et al. (2009). HMDB: A knowledgebase for the human metabolome. Nucleic Acids Research, 37, D603-D610.
-
(2009)
Nucleic Acids Research
, vol.37
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
-
45
-
-
70349321699
-
A metabonomic study of hepatitis B-induced liver cirrhosis and hepatocellular carcinoma by using RP-LC and HILIC coupled with mass spectrometry
-
Yin, P., Wan, D., Zhao, C., et al. (2009). A metabonomic study of hepatitis B-induced liver cirrhosis and hepatocellular carcinoma by using RP-LC and HILIC coupled with mass spectrometry. Molecular BioSystems, 5, 868-876.
-
(2009)
Molecular BioSystems
, vol.5
, pp. 868-876
-
-
Yin, P.1
Wan, D.2
Zhao, C.3
|