-
1
-
-
0345270397
-
Plant metabolomics: large-scale phytochemistry in the functional genomics era
-
10.1016/S0031-9422(02)00708-2, 12590110
-
Sumner LW, Mendes P, Dixon RA. Plant metabolomics: large-scale phytochemistry in the functional genomics era. Phytochemistry 2003, 62(6):817-836. 10.1016/S0031-9422(02)00708-2, 12590110.
-
(2003)
Phytochemistry
, vol.62
, Issue.6
, pp. 817-836
-
-
Sumner, L.W.1
Mendes, P.2
Dixon, R.A.3
-
2
-
-
19644385170
-
Mass spectrometry in metabolome analysis
-
10.1002/mas.20032, 15389842
-
Villas-Boas SG, Mas S, Akesson M, Smedsgaard J, Nielsen J. Mass spectrometry in metabolome analysis. Mass Spectrom Rev 2005, 24(5):613-646. 10.1002/mas.20032, 15389842.
-
(2005)
Mass Spectrom Rev
, vol.24
, Issue.5
, pp. 613-646
-
-
Villas-Boas, S.G.1
Mas, S.2
Akesson, M.3
Smedsgaard, J.4
Nielsen, J.5
-
3
-
-
13244249953
-
Chemical derivatization and mass spectral libraries in metabolic profiling by GC/MS and LC/MS/MS
-
Halket JM, Waterman D, Przyborowska AM, Patel RK, Fraser PD, Bramley PM. Chemical derivatization and mass spectral libraries in metabolic profiling by GC/MS and LC/MS/MS. J Exp Bot 2005, 56(410):219-243.
-
(2005)
J Exp Bot
, vol.56
, Issue.410
, pp. 219-243
-
-
Halket, J.M.1
Waterman, D.2
Przyborowska, A.M.3
Patel, R.K.4
Fraser, P.D.5
Bramley, P.M.6
-
4
-
-
85015214998
-
Gas Chromatography Mass Spectrometry
-
Berlin Heidelberg: Springer, Saito K, Dixon RA, Willmitzer L
-
Kopka J. Gas Chromatography Mass Spectrometry. Plant Metabolomics 2006, 3-20. Berlin Heidelberg: Springer, Saito K, Dixon RA, Willmitzer L.
-
(2006)
Plant Metabolomics
, pp. 3-20
-
-
Kopka, J.1
-
5
-
-
41049100247
-
Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry
-
10.1016/j.trac.2008.01.007, 2394193, 18497891
-
Fiehn O. Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry. Trends Analyt Chem 2008, 27(3):261-269. 10.1016/j.trac.2008.01.007, 2394193, 18497891.
-
(2008)
Trends Analyt Chem
, vol.27
, Issue.3
, pp. 261-269
-
-
Fiehn, O.1
-
6
-
-
33846000626
-
Mass spectrometry-based metabolomics
-
10.1002/mas.20108, 1904337, 16921475
-
Dettmer K, Aronov PA, Hammock BD. Mass spectrometry-based metabolomics. Mass Spectrom Rev 2007, 26(1):51-78. 10.1002/mas.20108, 1904337, 16921475.
-
(2007)
Mass Spectrom Rev
, vol.26
, Issue.1
, pp. 51-78
-
-
Dettmer, K.1
Aronov, P.A.2
Hammock, B.D.3
-
7
-
-
0015111451
-
Metabolic profiles: gas-phase methods for analysis of metabolites
-
Horning EC, Horning MG. Metabolic profiles: gas-phase methods for analysis of metabolites. Clin Chem 1971, 17(8):802-809.
-
(1971)
Clin Chem
, vol.17
, Issue.8
, pp. 802-809
-
-
Horning, E.C.1
Horning, M.G.2
-
8
-
-
4444277707
-
Metabolite profiling: from diagnostics to systems biology
-
10.1038/nrm1451, 15340383
-
Fernie AR, Trethewey RN, Krotzky AJ, Willmitzer L. Metabolite profiling: from diagnostics to systems biology. Nat Rev Mol Cell Biol 2004, 5(9):763-769. 10.1038/nrm1451, 15340383.
-
(2004)
Nat Rev Mol Cell Biol
, vol.5
, Issue.9
, pp. 763-769
-
-
Fernie, A.R.1
Trethewey, R.N.2
Krotzky, A.J.3
Willmitzer, L.4
-
9
-
-
58849110355
-
Metabolite profiling of germinating rice seeds
-
10.1021/jf802671p, 19053355
-
Shu XL, Frank T, Shu QY, Engel KH. Metabolite profiling of germinating rice seeds. J Agric Food Chem 2008, 56(24):11612-11620. 10.1021/jf802671p, 19053355.
-
(2008)
J Agric Food Chem
, vol.56
, Issue.24
, pp. 11612-11620
-
-
Shu, X.L.1
Frank, T.2
Shu, Q.Y.3
Engel, K.H.4
-
10
-
-
0035246644
-
Mass spectrometry in environmental sciences
-
10.1021/cr990090u, 11712246
-
Richardson SD. Mass spectrometry in environmental sciences. Chem Rev 2001, 101(2):211-254. 10.1021/cr990090u, 11712246.
-
(2001)
Chem Rev
, vol.101
, Issue.2
, pp. 211-254
-
-
Richardson, S.D.1
-
11
-
-
48849114188
-
Gas chromatography/mass spectrometry in metabolic profiling of biological fluids
-
10.1016/j.jchromb.2008.04.033, 18479983
-
Pasikanti KK, Ho PC, Chan EC. Gas chromatography/mass spectrometry in metabolic profiling of biological fluids. J Chromatogr B Analyt Technol Biomed Life Sci 2008, 871(2):202-211. 10.1016/j.jchromb.2008.04.033, 18479983.
-
(2008)
J Chromatogr B Analyt Technol Biomed Life Sci
, vol.871
, Issue.2
, pp. 202-211
-
-
Pasikanti, K.K.1
Ho, P.C.2
Chan, E.C.3
-
13
-
-
48749102719
-
Standardizing GC-MS metabolomics
-
10.1016/j.jchromb.2008.04.049, 18538643
-
Kanani H, Chrysanthopoulos PK, Klapa MI. Standardizing GC-MS metabolomics. J Chromatogr B Analyt Technol Biomed Life Sci 2008, 871(2):191-201. 10.1016/j.jchromb.2008.04.049, 18538643.
-
(2008)
J Chromatogr B Analyt Technol Biomed Life Sci
, vol.871
, Issue.2
, pp. 191-201
-
-
Kanani, H.1
Chrysanthopoulos, P.K.2
Klapa, M.I.3
-
14
-
-
34347405493
-
Data processing for mass spectrometry-based metabolomics
-
Katajamaa M, Oresic M. Data processing for mass spectrometry-based metabolomics. J Chromatogr A 2007, 1158(1-2):318-328.
-
(2007)
J Chromatogr A
, vol.1158
, Issue.1-2
, pp. 318-328
-
-
Katajamaa, M.1
Oresic, M.2
-
15
-
-
32444446805
-
XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
-
10.1021/ac051437y, 16448051
-
Smith CA, Want EJ, O'Maille G, Abagyan R, Siuzdak G. XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal Chem 2006, 78(3):779-787. 10.1021/ac051437y, 16448051.
-
(2006)
Anal Chem
, vol.78
, Issue.3
, pp. 779-787
-
-
Smith, C.A.1
Want, E.J.2
O'Maille, G.3
Abagyan, R.4
Siuzdak, G.5
-
16
-
-
33644867564
-
MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data
-
10.1093/bioinformatics/btk039, 16403790
-
Katajamaa M, Miettinen J, Oresic M. MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data. Bioinformatics 2006, 22(5):634-636. 10.1093/bioinformatics/btk039, 16403790.
-
(2006)
Bioinformatics
, vol.22
, Issue.5
, pp. 634-636
-
-
Katajamaa, M.1
Miettinen, J.2
Oresic, M.3
-
17
-
-
33751373090
-
MetaQuant: a tool for the automatic quantification of GC/MS-based metabolome data
-
10.1093/bioinformatics/btl526, 17046977
-
Bunk B, Kucklick M, Jonas R, Munch R, Schobert M, Jahn D, Hiller K. MetaQuant: a tool for the automatic quantification of GC/MS-based metabolome data. Bioinformatics 2006, 22(23):2962-2965. 10.1093/bioinformatics/btl526, 17046977.
-
(2006)
Bioinformatics
, vol.22
, Issue.23
, pp. 2962-2965
-
-
Bunk, B.1
Kucklick, M.2
Jonas, R.3
Munch, R.4
Schobert, M.5
Jahn, D.6
Hiller, K.7
-
18
-
-
66149088821
-
MetaboliteDetector: comprehensive analysis tool for targeted and nontargeted GC/MS based metabolome analysis
-
10.1021/ac802689c, 19358599
-
Hiller K, Hangebrauk J, Jager C, Spura J, Schreiber K, Schomburg D. MetaboliteDetector: comprehensive analysis tool for targeted and nontargeted GC/MS based metabolome analysis. Anal Chem 2009, 81(9):3429-3439. 10.1021/ac802689c, 19358599.
-
(2009)
Anal Chem
, vol.81
, Issue.9
, pp. 3429-3439
-
-
Hiller, K.1
Hangebrauk, J.2
Jager, C.3
Spura, J.4
Schreiber, K.5
Schomburg, D.6
-
19
-
-
77955072168
-
OpenChrom: a cross-platform open source software for the mass spectrometric analysis of chromatographic data
-
Wenig P, Odermatt J. OpenChrom: a cross-platform open source software for the mass spectrometric analysis of chromatographic data. BMC Bioinforma 2010, 11:405-413.
-
(2010)
BMC Bioinforma
, vol.11
, pp. 405-413
-
-
Wenig, P.1
Odermatt, J.2
-
20
-
-
33847002010
-
Systematic identification of conserved metabolites in GC/MS data for metabolomics and biomarker discovery
-
10.1021/ac0614846, 17263323
-
Styczynski MP, Moxley JF, Tong LV, Walther JL, Jensen KL, Stephanopoulos GN. Systematic identification of conserved metabolites in GC/MS data for metabolomics and biomarker discovery. Anal Chem 2007, 79(3):966-973. 10.1021/ac0614846, 17263323.
-
(2007)
Anal Chem
, vol.79
, Issue.3
, pp. 966-973
-
-
Styczynski, M.P.1
Moxley, J.F.2
Tong, L.V.3
Walther, J.L.4
Jensen, K.L.5
Stephanopoulos, G.N.6
-
21
-
-
79958115671
-
Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst
-
10.1038/nprot.2011.319, 21637195
-
Xia J, Wishart DS. Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst. Nat Protoc 2011, 6(6):743-760. 10.1038/nprot.2011.319, 21637195.
-
(2011)
Nat Protoc
, vol.6
, Issue.6
, pp. 743-760
-
-
Xia, J.1
Wishart, D.S.2
-
22
-
-
80052017616
-
Metabolomic data processing, analysis, and interpretation using MetaboAnalyst
-
Chapter 14, Unit 14 10
-
Xia J, Wishart DS. Metabolomic data processing, analysis, and interpretation using MetaboAnalyst. Curr Protoc Bioinformatics 2011, Chapter 14:Unit 14 10.
-
(2011)
Curr Protoc Bioinformatics
-
-
Xia, J.1
Wishart, D.S.2
-
23
-
-
77955396600
-
The MetabolomeExpress Project: enabling web-based processing, analysis and transparent dissemination of GC/MS metabolomics datasets
-
Carroll AJ, Badger MR, Harvey Millar A. The MetabolomeExpress Project: enabling web-based processing, analysis and transparent dissemination of GC/MS metabolomics datasets. BMC Bioinforma 2010, 11:376.
-
(2010)
BMC Bioinforma
, vol.11
, pp. 376
-
-
Carroll, A.J.1
Badger, M.R.2
Harvey Millar, A.3
-
24
-
-
0033452842
-
An integrated method for spectrum extraction and compound identification from gas chromatography/mass spectrometry data
-
Stein SE. An integrated method for spectrum extraction and compound identification from gas chromatography/mass spectrometry data. J Am Soc Mass Spectrom 1999, 10(8):770-781.
-
(1999)
J Am Soc Mass Spectrom
, vol.10
, Issue.8
, pp. 770-781
-
-
Stein, S.E.1
-
25
-
-
79958273162
-
A software complement to AMDIS for processing GC-MS metabolomic data
-
10.1016/j.ab.2011.04.009, 21575589
-
Behrends V, Tredwell GD, Bundy JG. A software complement to AMDIS for processing GC-MS metabolomic data. Anal Biochem 2011, 415(2):206-208. 10.1016/j.ab.2011.04.009, 21575589.
-
(2011)
Anal Biochem
, vol.415
, Issue.2
, pp. 206-208
-
-
Behrends, V.1
Tredwell, G.D.2
Bundy, J.G.3
-
26
-
-
79961174954
-
Metab: an R package for high-throughput analysis of metabolomics data generated by GC-MS
-
10.1093/bioinformatics/btr379, 21697128
-
Aggio R, Villas-Boas SG, Ruggiero K. Metab: an R package for high-throughput analysis of metabolomics data generated by GC-MS. Bioinformatics 2011, 27(16):2316-2318. 10.1093/bioinformatics/btr379, 21697128.
-
(2011)
Bioinformatics
, vol.27
, Issue.16
, pp. 2316-2318
-
-
Aggio, R.1
Villas-Boas, S.G.2
Ruggiero, K.3
-
27
-
-
0142033903
-
Metabolomics spectral formatting, alignment and conversion tools (MSFACTs)
-
10.1093/bioinformatics/btg315, 14630657
-
Duran AL, Yang J, Wang L, Sumner LW. Metabolomics spectral formatting, alignment and conversion tools (MSFACTs). Bioinformatics 2003, 19(17):2283-2293. 10.1093/bioinformatics/btg315, 14630657.
-
(2003)
Bioinformatics
, vol.19
, Issue.17
, pp. 2283-2293
-
-
Duran, A.L.1
Yang, J.2
Wang, L.3
Sumner, L.W.4
-
28
-
-
33745728711
-
MET-IDEA: data extraction tool for mass spectrometry-based metabolomics
-
10.1021/ac0521596, 16808440
-
Broeckling CD, Reddy IR, Duran AL, Zhao X, Sumner LW. MET-IDEA: data extraction tool for mass spectrometry-based metabolomics. Anal Chem 2006, 78(13):4334-4341. 10.1021/ac0521596, 16808440.
-
(2006)
Anal Chem
, vol.78
, Issue.13
, pp. 4334-4341
-
-
Broeckling, C.D.1
Reddy, I.R.2
Duran, A.L.3
Zhao, X.4
Sumner, L.W.5
-
29
-
-
40049092920
-
TagFinder for the quantitative analysis of gas chromatography-mass spectrometry (GC-MS)-based metabolite profiling experiments
-
10.1093/bioinformatics/btn023, 18204057
-
Luedemann A, Strassburg K, Erban A, Kopka J. TagFinder for the quantitative analysis of gas chromatography-mass spectrometry (GC-MS)-based metabolite profiling experiments. Bioinformatics 2008, 24(5):732-737. 10.1093/bioinformatics/btn023, 18204057.
-
(2008)
Bioinformatics
, vol.24
, Issue.5
, pp. 732-737
-
-
Luedemann, A.1
Strassburg, K.2
Erban, A.3
Kopka, J.4
-
30
-
-
65249132985
-
MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing
-
10.1021/ac900036d, 19301908
-
Lommen A. MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing. Anal Chem 2009, 81(8):3079-3086. 10.1021/ac900036d, 19301908.
-
(2009)
Anal Chem
, vol.81
, Issue.8
, pp. 3079-3086
-
-
Lommen, A.1
-
31
-
-
68549083763
-
ChromA: signal-based retention time alignment for chromatography-mass spectrometry data
-
10.1093/bioinformatics/btp343, 2722998, 19505941
-
Hoffmann N, Stoye J. ChromA: signal-based retention time alignment for chromatography-mass spectrometry data. Bioinformatics 2009, 25(16):2080-2081. 10.1093/bioinformatics/btp343, 2722998, 19505941.
-
(2009)
Bioinformatics
, vol.25
, Issue.16
, pp. 2080-2081
-
-
Hoffmann, N.1
Stoye, J.2
-
32
-
-
75149136156
-
TargetSearch-a Bioconductor package for the efficient preprocessing of GC-MS metabolite profiling data
-
Cuadros-Inostroza A, Caldana C, Redestig H, Kusano M, Lisec J, Pena-Cortes H, Willmitzer L, Hannah MA. TargetSearch-a Bioconductor package for the efficient preprocessing of GC-MS metabolite profiling data. BMC Bioinforma 2009, 10:428.
-
(2009)
BMC Bioinforma
, vol.10
, pp. 428
-
-
Cuadros-Inostroza, A.1
Caldana, C.2
Redestig, H.3
Kusano, M.4
Lisec, J.5
Pena-Cortes, H.6
Willmitzer, L.7
Hannah, M.A.8
-
33
-
-
60649089559
-
Highly sensitive feature detection for high resolution LC/MS
-
Tautenhahn R, Bottcher C, Neumann S. Highly sensitive feature detection for high resolution LC/MS. BMC Bioinforma 2008, 9:504.
-
(2008)
BMC Bioinforma
, vol.9
, pp. 504
-
-
Tautenhahn, R.1
Bottcher, C.2
Neumann, S.3
-
34
-
-
77952960611
-
Metabolite differentiation and discovery lab (MeDDL): a new tool for biomarker discovery and mass spectral visualization
-
10.1021/ac100034u, 20443621
-
Grigsby CC, Rizki MM, Tamburino LA, Pitsch RL, Shiyanov PA, Cool DR. Metabolite differentiation and discovery lab (MeDDL): a new tool for biomarker discovery and mass spectral visualization. Anal Chem 2010, 82(11):4386-4395. 10.1021/ac100034u, 20443621.
-
(2010)
Anal Chem
, vol.82
, Issue.11
, pp. 4386-4395
-
-
Grigsby, C.C.1
Rizki, M.M.2
Tamburino, L.A.3
Pitsch, R.L.4
Shiyanov, P.A.5
Cool, D.R.6
-
35
-
-
77952980825
-
MMass 3: a cross-platform software environment for precise analysis of mass spectrometric data
-
10.1021/ac100818g, 20465224
-
Strohalm M, Kavan D, Novak P, Volny M, Havlicek V. mMass 3: a cross-platform software environment for precise analysis of mass spectrometric data. Anal Chem 2010, 82(11):4648-4651. 10.1021/ac100818g, 20465224.
-
(2010)
Anal Chem
, vol.82
, Issue.11
, pp. 4648-4651
-
-
Strohalm, M.1
Kavan, D.2
Novak, P.3
Volny, M.4
Havlicek, V.5
-
36
-
-
38049148514
-
A dynamic programming approach for the alignment of signal peaks in multiple gas chromatography-mass spectrometry experiments
-
Robinson MD, De Souza DP, Keen WW, Saunders EC, McConville MJ, Speed TP, Likic VA. A dynamic programming approach for the alignment of signal peaks in multiple gas chromatography-mass spectrometry experiments. BMC Bioinforma 2007, 8:419.
-
(2007)
BMC Bioinforma
, vol.8
, pp. 419
-
-
Robinson, M.D.1
De Souza, D.P.2
Keen, W.W.3
Saunders, E.C.4
McConville, M.J.5
Speed, T.P.6
Likic, V.A.7
-
37
-
-
33646717749
-
Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis
-
10.1002/rcm.2473, 16628563
-
Zhang W, Wu P, Li C. Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis. Rapid Commun Mass Spectrom 2006, 20(10):1563-1568. 10.1002/rcm.2473, 16628563.
-
(2006)
Rapid Commun Mass Spectrom
, vol.20
, Issue.10
, pp. 1563-1568
-
-
Zhang, W.1
Wu, P.2
Li, C.3
-
38
-
-
34247552683
-
Determination of airborne polycyclic aromatic hydrocarbons at an airport by gas chromatography-mass spectrometry and evaluation of occupational exposure
-
Iavicoli I, Chiarotti M, Bergamaschi A, Marsili R, Carelli G. Determination of airborne polycyclic aromatic hydrocarbons at an airport by gas chromatography-mass spectrometry and evaluation of occupational exposure. J Chromatogr A 2007, 1150(1-2):226-235.
-
(2007)
J Chromatogr A
, vol.1150
, Issue.1-2
, pp. 226-235
-
-
Iavicoli, I.1
Chiarotti, M.2
Bergamaschi, A.3
Marsili, R.4
Carelli, G.5
-
39
-
-
84871767594
-
Establishment and Application of a Metabolomics Workflow for Identification and Profiling of Volatiles from Leaves of Vitis vinifera by HS-SPME-GC-MS
-
Weingart G, Kluger B, Forneck A, Krska R, Schuhmacher R. Establishment and Application of a Metabolomics Workflow for Identification and Profiling of Volatiles from Leaves of Vitis vinifera by HS-SPME-GC-MS. Phytochem Anal 2011,
-
(2011)
Phytochem Anal
-
-
Weingart, G.1
Kluger, B.2
Forneck, A.3
Krska, R.4
Schuhmacher, R.5
-
40
-
-
84871726247
-
ANDI MS standard finalized
-
Erickson B. ANDI MS standard finalized. Anal Chem 2000, 72(3):103A.
-
(2000)
Anal Chem
, vol.72
, Issue.3
-
-
Erickson, B.1
-
41
-
-
84871744894
-
Draft JCAMP-DX Protocols
-
Draft JCAMP-DX Protocols. http://www.jcamp-dx.org/.
-
-
-
-
43
-
-
70549099935
-
Extraction of pure components from overlapped signals in gas chromatography-mass spectrometry (GC-MS)
-
10.1186/1756-0381-2-6, 2770549, 19818154
-
Likic VA. Extraction of pure components from overlapped signals in gas chromatography-mass spectrometry (GC-MS). BioData Min 2009, 2(1):6. 10.1186/1756-0381-2-6, 2770549, 19818154.
-
(2009)
BioData Min
, vol.2
, Issue.1
, pp. 6
-
-
Likic, V.A.1
-
44
-
-
0042553279
-
Smoothing and Differentiation of Data by Simplified Least Squares Procedures
-
Savitzky A, Golay MJE. Smoothing and Differentiation of Data by Simplified Least Squares Procedures. Anal Chem 1964, 36:1627-1638.
-
(1964)
Anal Chem
, vol.36
, pp. 1627-1638
-
-
Savitzky, A.1
Golay, M.J.E.2
-
46
-
-
0004014214
-
The Scientist and Engineer's Guide to Digital Signal Processing
-
The Scientist and Engineer's Guide to Digital Signal Processing. www.DSPguide.com.
-
-
-
-
47
-
-
54049156049
-
Wavelet filtering before spike detection preserves waveform shape and enhances single-unit discrimination
-
10.1016/j.jneumeth.2008.05.016, 2602872, 18597853
-
Wiltschko AB, Gage GJ, Berke JD. Wavelet filtering before spike detection preserves waveform shape and enhances single-unit discrimination. J Neurosci Methods 2008, 173(1):34-40. 10.1016/j.jneumeth.2008.05.016, 2602872, 18597853.
-
(2008)
J Neurosci Methods
, vol.173
, Issue.1
, pp. 34-40
-
-
Wiltschko, A.B.1
Gage, G.J.2
Berke, J.D.3
-
48
-
-
49749092328
-
Baseline correction for NMR spectroscopic metabolomics data analysis
-
10.1186/1471-2105-9-324, 2516527, 18664284
-
Xi Y, Rocke DM. Baseline correction for NMR spectroscopic metabolomics data analysis. BMC Bioinformatics 2008, 9:324. 10.1186/1471-2105-9-324, 2516527, 18664284.
-
(2008)
BMC Bioinformatics
, vol.9
, pp. 324
-
-
Xi, Y.1
Rocke, D.M.2
-
49
-
-
71249113613
-
A general-purpose baseline estimation algorithm for spectroscopic data
-
10.1016/j.aca.2009.10.043, 2806822, 20005331
-
Barkauskas DA, Rocke DM. A general-purpose baseline estimation algorithm for spectroscopic data. Anal Chim Acta 2010, 657(2):191-197. 10.1016/j.aca.2009.10.043, 2806822, 20005331.
-
(2010)
Anal Chim Acta
, vol.657
, Issue.2
, pp. 191-197
-
-
Barkauskas, D.A.1
Rocke, D.M.2
-
50
-
-
0037461024
-
Automatic analysis of DNA microarray images using mathematical morphology
-
10.1093/bioinformatics/btg057, 12651712
-
Angulo J, Serra J. Automatic analysis of DNA microarray images using mathematical morphology. Bioinformatics 2003, 19(5):553-562. 10.1093/bioinformatics/btg057, 12651712.
-
(2003)
Bioinformatics
, vol.19
, Issue.5
, pp. 553-562
-
-
Angulo, J.1
Serra, J.2
-
51
-
-
0001460884
-
Reconstruction of mass spectra, a novel approach for the utilization of gas chromatograph-mass spectrometer data
-
Biller JE, Biemann K. Reconstruction of mass spectra, a novel approach for the utilization of gas chromatograph-mass spectrometer data. Anal Lett 1974, 7:515-528.
-
(1974)
Anal Lett
, vol.7
, pp. 515-528
-
-
Biller, J.E.1
Biemann, K.2
-
52
-
-
0016985801
-
Extraction of mass spectra free of background and neighboring component contributions from gas chromatography/mass spectrometry data
-
Dromey RG. Extraction of mass spectra free of background and neighboring component contributions from gas chromatography/mass spectrometry data. Analytical Chemistry 1976, 48(9):1368-1375.
-
(1976)
Analytical Chemistry
, vol.48
, Issue.9
, pp. 1368-1375
-
-
Dromey, R.G.1
-
53
-
-
33845559669
-
Separation of mass spectra of mixtures by factor analysis
-
Knorr FJ, Futrell JH. Separation of mass spectra of mixtures by factor analysis. Analytical Chemistry 1979, 51(8):1236-1241.
-
(1979)
Analytical Chemistry
, vol.51
, Issue.8
, pp. 1236-1241
-
-
Knorr, F.J.1
Futrell, J.H.2
-
54
-
-
0025862287
-
Component reconstruction in the primary space of spectra and concentrations. Alternating regression and related direct methods
-
Karjalainen EJ, Karjalainen UP. Component reconstruction in the primary space of spectra and concentrations. Alternating regression and related direct methods. Analytica Chimica Acta 1991, 250(1):169-179.
-
(1991)
Analytica Chimica Acta
, vol.250
, Issue.1
, pp. 169-179
-
-
Karjalainen, E.J.1
Karjalainen, U.P.2
-
55
-
-
0009050353
-
Spectral deconvolution for overlapping GC/MS components
-
Colby BN. Spectral deconvolution for overlapping GC/MS components. J Am Soc Mass Spectrom 1992, 3(5):558-562.
-
(1992)
J Am Soc Mass Spectrom
, vol.3
, Issue.5
, pp. 558-562
-
-
Colby, B.N.1
-
56
-
-
0030985580
-
Automated extraction of pure mass spectra from gas chromatographic/mass spectrometric data
-
Pool WG, De Leeuw JW, Van de Graaf B. Automated extraction of pure mass spectra from gas chromatographic/mass spectrometric data. J Mass Spectrom 1997, 32(4):438-443.
-
(1997)
J Mass Spectrom
, vol.32
, Issue.4
, pp. 438-443
-
-
Pool, W.G.1
De Leeuw, J.W.2
Van de Graaf, B.3
-
57
-
-
0038697673
-
High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis
-
Johnson KJ, Wright BW, Jarman KH, Synovec RE. High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis. J Chromatogr A 2003, 996(1-2):141-155.
-
(2003)
J Chromatogr A
, vol.996
, Issue.1-2
, pp. 141-155
-
-
Johnson, K.J.1
Wright, B.W.2
Jarman, K.H.3
Synovec, R.E.4
-
58
-
-
33845869336
-
MathDAMP: a package for differential analysis of metabolite profiles
-
10.1186/1471-2105-7-530, 1764210, 17166258
-
Baran R, Kochi H, Saito N, Suematsu M, Soga T, Nishioka T, Robert M, Tomita M. MathDAMP: a package for differential analysis of metabolite profiles. BMC Bioinformatics 2006, 7:530. 10.1186/1471-2105-7-530, 1764210, 17166258.
-
(2006)
BMC Bioinformatics
, vol.7
, pp. 530
-
-
Baran, R.1
Kochi, H.2
Saito, N.3
Suematsu, M.4
Soga, T.5
Nishioka, T.6
Robert, M.7
Tomita, M.8
-
59
-
-
49649096190
-
An iterative block-shifting approach to retention time alignment that preserves the shape and area of gas chromatography-mass spectrometry peaks
-
10.1186/1471-2105-9-S9-S15, 2638155, 19091014
-
Chae M, Shmookler Reis RJ, Thaden JJ. An iterative block-shifting approach to retention time alignment that preserves the shape and area of gas chromatography-mass spectrometry peaks. BMC Bioinformatics 2008, 9(Suppl 9):S15. 10.1186/1471-2105-9-S9-S15, 2638155, 19091014.
-
(2008)
BMC Bioinformatics
, vol.9
, Issue.SUPPL. 9
-
-
Chae, M.1
Shmookler Reis, R.J.2
Thaden, J.J.3
-
60
-
-
0037024701
-
Chromatographic alignment by warping and dynamic programming as a pre-processing tool for PARAFAC modelling of liquid chromatography-mass spectrometry data
-
10.1016/S0021-9673(02)00588-5, 12184621
-
Bylund D, Danielsson R, Malmquist G, Markides KE. Chromatographic alignment by warping and dynamic programming as a pre-processing tool for PARAFAC modelling of liquid chromatography-mass spectrometry data. J Chromatogr A 2002, 961(2):237-244. 10.1016/S0021-9673(02)00588-5, 12184621.
-
(2002)
J Chromatogr A
, vol.961
, Issue.2
, pp. 237-244
-
-
Bylund, D.1
Danielsson, R.2
Malmquist, G.3
Markides, K.E.4
-
61
-
-
1542408614
-
A strategy for identifying differences in large series of metabolomic samples analyzed by GC/MS
-
10.1021/ac0352427, 15018577
-
Jonsson P, Gullberg J, Nordstrom A, Kusano M, Kowalczyk M, Sjostrom M, Moritz T. A strategy for identifying differences in large series of metabolomic samples analyzed by GC/MS. Anal Chem 2004, 76(6):1738-1745. 10.1021/ac0352427, 15018577.
-
(2004)
Anal Chem
, vol.76
, Issue.6
, pp. 1738-1745
-
-
Jonsson, P.1
Gullberg, J.2
Nordstrom, A.3
Kusano, M.4
Kowalczyk, M.5
Sjostrom, M.6
Moritz, T.7
-
62
-
-
41149106961
-
Comparative evaluation of software for deconvolution of metabolomics data based on GC-TOF-MS
-
Lu H, Liang Y, Dunn WB, Shen H, Kell DB. Comparative evaluation of software for deconvolution of metabolomics data based on GC-TOF-MS. TrAC Trends in Analytical Chemistry 2008, 27(3):215-227.
-
(2008)
TrAC Trends in Analytical Chemistry
, vol.27
, Issue.3
, pp. 215-227
-
-
Lu, H.1
Liang, Y.2
Dunn, W.B.3
Shen, H.4
Kell, D.B.5
-
63
-
-
79960384696
-
Mass spectrometry strategies in metabolomics
-
10.1074/jbc.R111.238691, 3138266, 21632543
-
Lei Z, Huhman DV, Sumner LW. Mass spectrometry strategies in metabolomics. J Biol Chem 2011, 286(29):25435-25442. 10.1074/jbc.R111.238691, 3138266, 21632543.
-
(2011)
J Biol Chem
, vol.286
, Issue.29
, pp. 25435-25442
-
-
Lei, Z.1
Huhman, D.V.2
Sumner, L.W.3
-
64
-
-
42649135838
-
Feature detection and alignment of hyphenated chromatographic-mass spectrometric data. Extraction of pure ion chromatograms using Kalman tracking
-
10.1016/j.chroma.2008.03.033, 18378252
-
Aberg KM, Torgrip RJ, Kolmert J, Schuppe-Koistinen I, Lindberg J. Feature detection and alignment of hyphenated chromatographic-mass spectrometric data. Extraction of pure ion chromatograms using Kalman tracking. J Chromatogr A 2008, 1192(1):139-146. 10.1016/j.chroma.2008.03.033, 18378252.
-
(2008)
J Chromatogr A
, vol.1192
, Issue.1
, pp. 139-146
-
-
Aberg, K.M.1
Torgrip, R.J.2
Kolmert, J.3
Schuppe-Koistinen, I.4
Lindberg, J.5
-
65
-
-
70349193225
-
Plant phenotype demarcation using nontargeted LC-MS and GC-MS metabolite profiling
-
10.1021/jf9009137, 19639992
-
Arbona V, Iglesias DJ, Talon M, Gomez-Cadenas A. Plant phenotype demarcation using nontargeted LC-MS and GC-MS metabolite profiling. J Agric Food Chem 2009, 57(16):7338-7347. 10.1021/jf9009137, 19639992.
-
(2009)
J Agric Food Chem
, vol.57
, Issue.16
, pp. 7338-7347
-
-
Arbona, V.1
Iglesias, D.J.2
Talon, M.3
Gomez-Cadenas, A.4
-
66
-
-
77649183742
-
Metabolomics study on the anti-depression effect of xiaoyaosan on rat model of chronic unpredictable mild stress
-
10.1016/j.jep.2010.01.016, 20079416
-
Dai Y, Li Z, Xue L, Dou C, Zhou Y, Zhang L, Qin X. Metabolomics study on the anti-depression effect of xiaoyaosan on rat model of chronic unpredictable mild stress. J Ethnopharmacol 2010, 128(2):482-489. 10.1016/j.jep.2010.01.016, 20079416.
-
(2010)
J Ethnopharmacol
, vol.128
, Issue.2
, pp. 482-489
-
-
Dai, Y.1
Li, Z.2
Xue, L.3
Dou, C.4
Zhou, Y.5
Zhang, L.6
Qin, X.7
-
67
-
-
77952474472
-
Untargeted metabolic profiling reveals potential biomarkers in myocardial infarction and its application
-
10.1039/b925612a, 20485748
-
Yao H, Shi P, Zhang L, Fan X, Shao Q, Cheng Y. Untargeted metabolic profiling reveals potential biomarkers in myocardial infarction and its application. Mol Biosyst 2010, 6(6):1061-1070. 10.1039/b925612a, 20485748.
-
(2010)
Mol Biosyst
, vol.6
, Issue.6
, pp. 1061-1070
-
-
Yao, H.1
Shi, P.2
Zhang, L.3
Fan, X.4
Shao, Q.5
Cheng, Y.6
-
68
-
-
79955633416
-
Acid stress-mediated metabolic shift in Lactobacillus sanfranciscensis LSCE1
-
10.1128/AEM.01826-10, 3126359, 21335381
-
Serrazanetti DI, Ndagijimana M, Sado-Kamdem SL, Corsetti A, Vogel RF, Ehrmann M, Guerzoni ME. Acid stress-mediated metabolic shift in Lactobacillus sanfranciscensis LSCE1. Appl Environ Microbiol 2011, 77(8):2656-2666. 10.1128/AEM.01826-10, 3126359, 21335381.
-
(2011)
Appl Environ Microbiol
, vol.77
, Issue.8
, pp. 2656-2666
-
-
Serrazanetti, D.I.1
Ndagijimana, M.2
Sado-Kamdem, S.L.3
Corsetti, A.4
Vogel, R.F.5
Ehrmann, M.6
Guerzoni, M.E.7
-
69
-
-
79955464174
-
Evaluation of automated sample preparation, retention time locked gas chromatography-mass spectrometry and data analysis methods for the metabolomic study of Arabidopsis species
-
10.1016/j.chroma.2011.01.024, 21296359
-
Gu Q, David F, Lynen F, Rumpel K, Dugardeyn J, Van Der Straeten D, Xu G, Sandra P. Evaluation of automated sample preparation, retention time locked gas chromatography-mass spectrometry and data analysis methods for the metabolomic study of Arabidopsis species. J Chromatogr A 2011, 1218(21):3247-3254. 10.1016/j.chroma.2011.01.024, 21296359.
-
(2011)
J Chromatogr A
, vol.1218
, Issue.21
, pp. 3247-3254
-
-
Gu, Q.1
David, F.2
Lynen, F.3
Rumpel, K.4
Dugardeyn, J.5
Van Der Straeten, D.6
Xu, G.7
Sandra, P.8
-
70
-
-
36348980985
-
Current progress in computational metabolomics
-
10.1093/bib/bbm030, 17626065
-
Wishart DS. Current progress in computational metabolomics. Brief Bioinform 2007, 8(5):279-293. 10.1093/bib/bbm030, 17626065.
-
(2007)
Brief Bioinform
, vol.8
, Issue.5
, pp. 279-293
-
-
Wishart, D.S.1
-
71
-
-
12444272254
-
Project management system for structural and functional proteomics: Sesame
-
10.1023/A:1024684404761, 12943363
-
Zolnai Z, Lee PT, Li J, Chapman MR, Newman CS, Phillips GN, Rayment I, Ulrich EL, Volkman BF, Markley JL. Project management system for structural and functional proteomics: Sesame. J Struct Funct Genomics 2003, 4(1):11-23. 10.1023/A:1024684404761, 12943363.
-
(2003)
J Struct Funct Genomics
, vol.4
, Issue.1
, pp. 11-23
-
-
Zolnai, Z.1
Lee, P.T.2
Li, J.3
Chapman, M.R.4
Newman, C.S.5
Phillips, G.N.6
Rayment, I.7
Ulrich, E.L.8
Volkman, B.F.9
Markley, J.L.10
-
72
-
-
27744479716
-
The expanding role of mass spectrometry in metabolite profiling and characterization
-
10.1002/cbic.200500151, 16206229
-
Want EJ, Cravatt BF, Siuzdak G. The expanding role of mass spectrometry in metabolite profiling and characterization. Chembiochem 2005, 6(11):1941-1951. 10.1002/cbic.200500151, 16206229.
-
(2005)
Chembiochem
, vol.6
, Issue.11
, pp. 1941-1951
-
-
Want, E.J.1
Cravatt, B.F.2
Siuzdak, G.3
-
73
-
-
79960115780
-
Metabolite identification by mass spectrometry: forty years of evolution
-
10.3109/00498254.2011.564332, 21434771
-
Wright P. Metabolite identification by mass spectrometry: forty years of evolution. Xenobiotica 2011, 41(8):670-686. 10.3109/00498254.2011.564332, 21434771.
-
(2011)
Xenobiotica
, vol.41
, Issue.8
, pp. 670-686
-
-
Wright, P.1
-
74
-
-
80051682403
-
Advances in metabolite identification
-
10.4155/bio.11.155, 21827274
-
Wishart DS. Advances in metabolite identification. Bioanalysis 2011, 3(15):1769-1782. 10.4155/bio.11.155, 21827274.
-
(2011)
Bioanalysis
, vol.3
, Issue.15
, pp. 1769-1782
-
-
Wishart, D.S.1
-
75
-
-
32444432587
-
METLIN: a metabolite mass spectral database
-
10.1097/01.ftd.0000179845.53213.39, 16404815
-
Smith CA, O'Maille G, Want EJ, Qin C, Trauger SA, Brandon TR, Custodio DE, Abagyan R, Siuzdak G. METLIN: a metabolite mass spectral database. Ther Drug Monit 2005, 27(6):747-751. 10.1097/01.ftd.0000179845.53213.39, 16404815.
-
(2005)
Ther Drug Monit
, vol.27
, Issue.6
, pp. 747-751
-
-
Smith, C.A.1
O'Maille, G.2
Want, E.J.3
Qin, C.4
Trauger, S.A.5
Brandon, T.R.6
Custodio, D.E.7
Abagyan, R.8
Siuzdak, G.9
-
76
-
-
20244380782
-
GMD@CSB.DB: the Golm Metabolome Database
-
10.1093/bioinformatics/bti236, 15613389
-
Kopka J, Schauer N, Krueger S, Birkemeyer C, Usadel B, Bergmuller E, Dormann P, Weckwerth W, Gibon Y, Stitt M, et al. GMD@CSB.DB: the Golm Metabolome Database. Bioinformatics 2005, 21(8):1635-1638. 10.1093/bioinformatics/bti236, 15613389.
-
(2005)
Bioinformatics
, vol.21
, Issue.8
, pp. 1635-1638
-
-
Kopka, J.1
Schauer, N.2
Krueger, S.3
Birkemeyer, C.4
Usadel, B.5
Bergmuller, E.6
Dormann, P.7
Weckwerth, W.8
Gibon, Y.9
Stitt, M.10
-
77
-
-
33846088138
-
HMDB: the Human Metabolome Database
-
1899095, 17202168, Database issue
-
Wishart DS, Tzur D, Knox C, Eisner R, Guo AC, Young N, Cheng D, Jewell K, Arndt D, Sawhney S, et al. HMDB: the Human Metabolome Database. Nucleic Acids Res 2007, 35(Database issue):D521-D526. 1899095, 17202168.
-
(2007)
Nucleic Acids Res
, vol.35
-
-
Wishart, D.S.1
Tzur, D.2
Knox, C.3
Eisner, R.4
Guo, A.C.5
Young, N.6
Cheng, D.7
Jewell, K.8
Arndt, D.9
Sawhney, S.10
-
78
-
-
77954439868
-
MassBank: a public repository for sharing mass spectral data for life sciences
-
10.1002/jms.1777, 20623627
-
Horai H, Arita M, Kanaya S, Nihei Y, Ikeda T, Suwa K, Ojima Y, Tanaka K, Tanaka S, Aoshima K, et al. MassBank: a public repository for sharing mass spectral data for life sciences. J Mass Spectrom 2010, 45(7):703-714. 10.1002/jms.1777, 20623627.
-
(2010)
J Mass Spectrom
, vol.45
, Issue.7
, pp. 703-714
-
-
Horai, H.1
Arita, M.2
Kanaya, S.3
Nihei, Y.4
Ikeda, T.5
Suwa, K.6
Ojima, Y.7
Tanaka, K.8
Tanaka, S.9
Aoshima, K.10
|