-
1
-
-
84904810329
-
CFM-ID: A web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra
-
COI: 1:CAS:528:DC%2BC2cXhtFCqs7jM, PID: 24895432
-
Allen, F., Pon, A., Wilson, M., Greiner, R., & Wishart, D. (2014). CFM-ID: A web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra. Nucleic Acids Research,42, W94–W99.
-
(2014)
Nucleic Acids Research
, vol.42
, pp. 94-99
-
-
Allen, F.1
Pon, A.2
Wilson, M.3
Greiner, R.4
Wishart, D.5
-
2
-
-
84880629828
-
Potential of Fourier transform mass spectrometry for high throughput metabolomics analysis
-
Rolin D, (ed), 67, Elsevier Ltd, Amsterdam
-
Alves, S., Rathahao-Paris, E., & Tabet, J. C. (2013). Potential of Fourier transform mass spectrometry for high throughput metabolomics analysis. In D. Rolin (Ed.), Advances in botanical research: Metabolomics coming of age with its technological diversity (Vol. 67, pp. 219–302). Amsterdam: Elsevier Ltd.
-
(2013)
Advances in botanical research: Metabolomics coming of age with its technological diversity
, pp. 219-302
-
-
Alves, S.1
Rathahao-Paris, E.2
Tabet, J.C.3
-
3
-
-
49549101405
-
Towards de novo identification of metabolites by analyzing tandem mass spectra
-
PID: 18689839
-
Böcker, S., & Rasche, F. (2008). Towards de novo identification of metabolites by analyzing tandem mass spectra. Bioinformatics,24, i49–i55.
-
(2008)
Bioinformatics
, vol.24
, pp. 49-55
-
-
Böcker, S.1
Rasche, F.2
-
4
-
-
84904547627
-
Annotation of the human serum metabolome by coupling three liquid chromatography methods to high-resolution mass spectrometry
-
COI: 1:CAS:528:DC%2BC2cXnslGnur4%3D
-
Boudah, S., Olivier, M. F., Aros-Calt, S., Oliveira, L., Fenaille, F., Tabet, J.-C., & Junot, C. (2014). Annotation of the human serum metabolome by coupling three liquid chromatography methods to high-resolution mass spectrometry. Journal of Chromatography B,966, 34–47.
-
(2014)
Journal of Chromatography B
, vol.966
, pp. 34-47
-
-
Boudah, S.1
Olivier, M.F.2
Aros-Calt, S.3
Oliveira, L.4
Fenaille, F.5
Tabet, J.-C.6
Junot, C.7
-
5
-
-
14744300520
-
Metabolomics applications of FT-ICR mass spectrometry
-
COI: 1:CAS:528:DC%2BD2MXit1Wgtrc%3D
-
Brown, S. C., Kruppa, G., & Dasseux, J. L. (2005). Metabolomics applications of FT-ICR mass spectrometry. Mass Spectrometry Review,24, 223–231.
-
(2005)
Mass Spectrometry Review
, vol.24
, pp. 223-231
-
-
Brown, S.C.1
Kruppa, G.2
Dasseux, J.L.3
-
6
-
-
84906257398
-
Computational analyses of spectral trees from electrospray multi-stage mass spectrometry to aid metabolite identification
-
PID: 24958264
-
Cao, M., Fraser, K., & Rasmussen, S. (2013). Computational analyses of spectral trees from electrospray multi-stage mass spectrometry to aid metabolite identification. Metabolites,3, 1036–1050.
-
(2013)
Metabolites
, vol.3
, pp. 1036-1050
-
-
Cao, M.1
Fraser, K.2
Rasmussen, S.3
-
7
-
-
79953847091
-
Carotenogenesis Up-regulation in Scenedesmus sp. using a targeted metabolomics approach by liquid chromatography - high resolution mass spectrometry
-
COI: 1:CAS:528:DC%2BC3MXivFyjtb4%3D, PID: 21391679
-
Chu, F. L., Pirastru, L., Popovic, R., & Sleno, L. (2011). Carotenogenesis Up-regulation in Scenedesmus sp. using a targeted metabolomics approach by liquid chromatography - high resolution mass spectrometry. Journal of Agricultural and Food Chemistry,59, 3004–3013.
-
(2011)
Journal of Agricultural and Food Chemistry
, vol.59
, pp. 3004-3013
-
-
Chu, F.L.1
Pirastru, L.2
Popovic, R.3
Sleno, L.4
-
9
-
-
78049505292
-
Collision cross-section determination and tandem mass spectrometric analysis of isomeric carotenoids using electrospray ion mobility time-of-flight mass spectrometry
-
COI: 1:CAS:528:DC%2BC3cXht1KhsbjO, PID: 20939506
-
Dong, L., Shion, H., Davis, R. G., Terry-Penak, B., Castro-Perez, J., & van Breemen, R. B. (2010). Collision cross-section determination and tandem mass spectrometric analysis of isomeric carotenoids using electrospray ion mobility time-of-flight mass spectrometry. Analytical Chemistry,82, 9014–9021.
-
(2010)
Analytical Chemistry
, vol.82
, pp. 9014-9021
-
-
Dong, L.1
Shion, H.2
Davis, R.G.3
Terry-Penak, B.4
Castro-Perez, J.5
van Breemen, R.B.6
-
10
-
-
84875147820
-
Detection and characterization of ticlopidine conjugates in rat bile using high-resolution mass spectrometry: Applications of various data acquisition and processing tools
-
COI: 1:CAS:528:DC%2BC3sXktFajuro%3D, PID: 23494800
-
Du, F., Ruan, Q., Zhu, M., & Xing, J. (2013). Detection and characterization of ticlopidine conjugates in rat bile using high-resolution mass spectrometry: Applications of various data acquisition and processing tools. Journal of Mass Spectrometry,48, 413–422.
-
(2013)
Journal of Mass Spectrometry
, vol.48
, pp. 413-422
-
-
Du, F.1
Ruan, Q.2
Zhu, M.3
Xing, J.4
-
11
-
-
18844406001
-
Measuring the metabolome: Current analytical technologies
-
COI: 1:CAS:528:DC%2BD2MXjsFOnurw%3D, PID: 15852128
-
Dunn, W. B., Bailey, N. J. C., & Johnson, H. E. (2005). Measuring the metabolome: Current analytical technologies. Analyst,130, 606–625.
-
(2005)
Analyst
, vol.130
, pp. 606-625
-
-
Dunn, W.B.1
Bailey, N.J.C.2
Johnson, H.E.3
-
12
-
-
84874345577
-
Mass appeal: Metabolite identification in mass spectrometry-focused untargeted metabolomics
-
Dunn, W. B., Erban, A., Weber, R. J. M., Creek, D. J., Brown, M., Breitling, R., et al. (2012). Mass appeal: Metabolite identification in mass spectrometry-focused untargeted metabolomics. Metabolomics,9(S1), 44–66.
-
(2012)
Metabolomics
, vol.9
, Issue.S1
, pp. 44-66
-
-
Dunn, W.B.1
Erban, A.2
Weber, R.J.M.3
Creek, D.J.4
Brown, M.5
Breitling, R.6
Hankemeier, T.7
Goodacre, R.8
Neumann, S.9
Kopka, J.10
Viant, M.R.11
-
13
-
-
70349775820
-
Spectral accuracy of molecular ions in an ltq/orbitrap mass spectrometer and implications for elemental composition determination
-
COI: 1:CAS:528:DC%2BD1MXht1ylsb%2FF, PID: 19716315
-
Erve, J. C. L., Gu, M., Wang, Y., DeMaio, W., & Talaat, R. E. (2009). Spectral accuracy of molecular ions in an ltq/orbitrap mass spectrometer and implications for elemental composition determination. Journal of the American Society for Mass Spectrometry,20, 2058–2069.
-
(2009)
Journal of the American Society for Mass Spectrometry
, vol.20
, pp. 2058-2069
-
-
Erve, J.C.L.1
Gu, M.2
Wang, Y.3
DeMaio, W.4
Talaat, R.E.5
-
14
-
-
77957990113
-
Proteomics on an Orbitrap benchtop mass spectrometer using all-ion fragmentation
-
COI: 1:CAS:528:DC%2BC3cXhtlegt7jJ, PID: 20610777
-
Geiger, T., Cox, J., & Mann, M. (2010). Proteomics on an Orbitrap benchtop mass spectrometer using all-ion fragmentation. Molecular and Cellular Proteomics,9(10), 2252–2261.
-
(2010)
Molecular and Cellular Proteomics
, vol.9
, Issue.10
, pp. 2252-2261
-
-
Geiger, T.1
Cox, J.2
Mann, M.3
-
15
-
-
84875154340
-
MetFusion: Integration of compound identification strategies
-
COI: 1:CAS:528:DC%2BC3sXktFWjsLo%3D, PID: 23494783
-
Gerlich, M., & Neumann, S. (2013). MetFusion: Integration of compound identification strategies. Journal of Mass Spectrometry,48, 291–298.
-
(2013)
Journal of Mass Spectrometry
, vol.48
, pp. 291-298
-
-
Gerlich, M.1
Neumann, S.2
-
16
-
-
84861860481
-
Targeted data extraction of the MS/MS spectra generated by data-independent acquisition: A new concept for consistent and accurate proteome analysis
-
1–17
-
Gillet, L. C., Navarro, P., Tate, S., Rost, H., Selevsek, N., Reiter, L., et al. (2012). Targeted data extraction of the MS/MS spectra generated by data-independent acquisition: A new concept for consistent and accurate proteome analysis. Molecular & Cellular Proteomics,11(6), O111–016717. 1–17.
-
(2012)
Molecular & Cellular Proteomics
, vol.11
, Issue.6
, pp. 111-16717
-
-
Gillet, L.C.1
Navarro, P.2
Tate, S.3
Rost, H.4
Selevsek, N.5
Reiter, L.6
Bonner, R.7
Aebersold, R.8
-
17
-
-
67249158924
-
The chemodiversity of wines can reveal a metabologeography expression of cooperage oak wood
-
COI: 1:CAS:528:DC%2BD1MXot1SjsL0%3D, PID: 19470460
-
Gougeon, R. D., Lucio, M., Frommberger, M., Peyron, D., Chassagne, D., Alexandre, H., et al. (2009). The chemodiversity of wines can reveal a metabologeography expression of cooperage oak wood. PNAS,106(23), 9174–9179.
-
(2009)
PNAS
, vol.106
, Issue.23
, pp. 9174-9179
-
-
Gougeon, R.D.1
Lucio, M.2
Frommberger, M.3
Peyron, D.4
Chassagne, D.5
Alexandre, H.6
Feuillat, F.7
Voilley, A.8
Cayot, P.9
Gebefügi, I.10
Hertkorn, N.11
Schmitt-Kopplin, P.12
-
18
-
-
84904306550
-
Interactive XCMS online: Simplifying advanced metabolomic data processing and subsequent statistical analyses
-
COI: 1:CAS:528:DC%2BC2cXpslynsbg%3D, PID: 24934772
-
Gowda, H., Ivanisevic, J., Johnson, C. H., Kurczy, M. E., Benton, H. P., Rinehart, D., et al. (2014). Interactive XCMS online: Simplifying advanced metabolomic data processing and subsequent statistical analyses. Analytical Chemistry,86(14), 6931–6939.
-
(2014)
Analytical Chemistry
, vol.86
, Issue.14
, pp. 6931-6939
-
-
Gowda, H.1
Ivanisevic, J.2
Johnson, C.H.3
Kurczy, M.E.4
Benton, H.P.5
Rinehart, D.6
Nguyen, T.7
Ray, J.8
Kuehl, J.9
Arevalo, B.10
Westenskow, P.D.11
Wang, J.12
Arkin, A.P.13
Deutschbauer, A.M.14
Patti, G.J.15
Siuzdak, G.16
-
19
-
-
0036907871
-
Utility of three types of mass spectrometers for determining elemental compositions of ions formed from chromatographically separated compounds
-
COI: 1:CAS:528:DC%2BD3sXhtVOitA%3D%3D, PID: 12478582
-
Grange, A., Genicola, F., & Sovocool, G. W. (2002). Utility of three types of mass spectrometers for determining elemental compositions of ions formed from chromatographically separated compounds. Rapid Communications in Mass Spectrometry,16, 2356–2369.
-
(2002)
Rapid Communications in Mass Spectrometry
, vol.16
, pp. 2356-2369
-
-
Grange, A.1
Genicola, F.2
Sovocool, G.W.3
-
20
-
-
31144473887
-
Determination of ion and neutral loss compositions and deconvolution of product ion mass spectra using an orthogonal acceleration time-of-flight mass spectrometer and an ion correlation program
-
COI: 1:CAS:528:DC%2BD28Xptlylsw%3D%3D, PID: 16331746
-
Grange, A. H., Zumwalt, M. C., & Sovocool, G. W. (2006). Determination of ion and neutral loss compositions and deconvolution of product ion mass spectra using an orthogonal acceleration time-of-flight mass spectrometer and an ion correlation program. Rapid Communications in Mass Spectrometry,20, 89–102.
-
(2006)
Rapid Communications in Mass Spectrometry
, vol.20
, pp. 89-102
-
-
Grange, A.H.1
Zumwalt, M.C.2
Sovocool, G.W.3
-
21
-
-
0041854168
-
‘Mass defect’ tags for biomolecular mass spectrometry
-
COI: 1:CAS:528:DC%2BD3sXntFSisrw%3D, PID: 12938101
-
Hall, M. P., Ashrafi, S., Obegi, I., Petesch, R., Peterson, J. N., & Schneider, L. V. (2003). ‘Mass defect’ tags for biomolecular mass spectrometry. Journal of Mass Spectrometry,38, 809–816.
-
(2003)
Journal of Mass Spectrometry
, vol.38
, pp. 809-816
-
-
Hall, M.P.1
Ashrafi, S.2
Obegi, I.3
Petesch, R.4
Peterson, J.N.5
Schneider, L.V.6
-
22
-
-
43349100561
-
Towards high-throughput metabolomics using ultrahigh-field Fourier transform ion cyclotron resonance mass spectrometry
-
COI: 1:CAS:528:DC%2BD1cXlsFSnt7c%3D, PID: 19081807
-
Han, J., Danell, R. M., Patel, J. R., Gumerov, D. R., Scarlett, C. O., Speir, J. P., et al. (2008). Towards high-throughput metabolomics using ultrahigh-field Fourier transform ion cyclotron resonance mass spectrometry. Metabolomics,4, 128–140.
-
(2008)
Metabolomics
, vol.4
, pp. 128-140
-
-
Han, J.1
Danell, R.M.2
Patel, J.R.3
Gumerov, D.R.4
Scarlett, C.O.5
Speir, J.P.6
Parker, C.E.7
Rusyn, I.8
Zeisel, S.9
Borchers, C.H.10
-
23
-
-
84875370606
-
Selective extraction of halogenated compounds from data measured by comprehensive multidimensional gas chromatography/high resolution time-of-flight mass spectrometry for non-target analysis of environmental and biological samples
-
COI: 1:CAS:528:DC%2BC3sXisVKjur8%3D, PID: 23415470
-
Hashimoto, S., Zushi, Y., Fushimi, A., Takazawa, Y., Tanabe, K., & Shibata, Y. (2013). Selective extraction of halogenated compounds from data measured by comprehensive multidimensional gas chromatography/high resolution time-of-flight mass spectrometry for non-target analysis of environmental and biological samples. Journal of Chromatography A,1282, 183–189.
-
(2013)
Journal of Chromatography A
, vol.1282
, pp. 183-189
-
-
Hashimoto, S.1
Zushi, Y.2
Fushimi, A.3
Takazawa, Y.4
Tanabe, K.5
Shibata, Y.6
-
24
-
-
36448939111
-
Method for lipidomic analysis: p53 expression modulation of sulfatide, ganglioside, and phospholipid composition of U87 MG glioblastoma cells
-
COI: 1:CAS:528:DC%2BD2sXhtFGisrjM, PID: 17929901
-
He, H., Conrad, C. A., Nilsson, C. L., Ji, Y., Schaub, T. M., Marshall, A. G., & Emmett, M. R. (2007). Method for lipidomic analysis: p53 expression modulation of sulfatide, ganglioside, and phospholipid composition of U87 MG glioblastoma cells. Analytical Chemistry,79(22), 8423–8430.
-
(2007)
Analytical Chemistry
, vol.79
, Issue.22
, pp. 8423-8430
-
-
He, H.1
Conrad, C.A.2
Nilsson, C.L.3
Ji, Y.4
Schaub, T.M.5
Marshall, A.G.6
Emmett, M.R.7
-
25
-
-
46749093781
-
Towards a universal product ion mass spectral library-reproducibility of product ion spectra across eleven different mass spectrometers
-
COI: 1:CAS:528:DC%2BD1cXotVygsrY%3D, PID: 18470872
-
Hopley, C., Bristow, T., Lubben, A., Simpson, A., Bull, E., Klagkou, K., et al. (2008). Towards a universal product ion mass spectral library-reproducibility of product ion spectra across eleven different mass spectrometers. Rapid Communications in Mass Spectrometry,22, 1779–1786.
-
(2008)
Rapid Communications in Mass Spectrometry
, vol.22
, pp. 1779-1786
-
-
Hopley, C.1
Bristow, T.2
Lubben, A.3
Simpson, A.4
Bull, E.5
Klagkou, K.6
Herniman, J.7
Langley, J.8
-
26
-
-
77954439868
-
MassBank: A public repository for sharing mass spectral data for life sciences
-
COI: 1:CAS:528:DC%2BC3cXovVCgsLg%3D, PID: 20623627
-
Horai, H., Arita, M., Kanaya, S., Nihei, Y., Ikeda, T., Suwa, K., et al. (2010). MassBank: A public repository for sharing mass spectral data for life sciences. Journal of Mass Spectrometry,45(7), 703–714.
-
(2010)
Journal of Mass Spectrometry
, 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
Oda, Y.11
Kakazu, Y.12
Kusano, M.13
Tohge, T.14
Matsuda, F.15
Sawada, Y.16
Hirai, M.Y.17
Nakanishi, H.18
Ikeda, K.19
Akimoto, N.20
Maoka, T.21
Takahashi, H.22
Ara, T.23
Sakurai, N.24
Suzuki, H.25
Shibata, D.26
Neumann, S.27
Iida, T.28
Tanaka, K.29
Funatsu, K.30
Matsuura, F.31
Soga, T.32
Taguchi, R.33
Saito, K.34
Nishioka, T.35
more..
-
27
-
-
84893633670
-
X13CMS: Global tracking of isotopic labels in untargeted metabolomics
-
COI: 1:CAS:528:DC%2BC2cXktlWltQ%3D%3D
-
Huang, X., Chen, Y., Cho, K., Nikolskiy, I., Crawford, P. A., & Patti, G. J. (2014). X13CMS: Global tracking of isotopic labels in untargeted metabolomics. Analytical Biochemistry,86, 1632–1639.
-
(2014)
Analytical Biochemistry
, vol.86
, pp. 1632-1639
-
-
Huang, X.1
Chen, Y.2
Cho, K.3
Nikolskiy, I.4
Crawford, P.A.5
Patti, G.J.6
-
28
-
-
84900862294
-
New kids on the block: Novel informatics methods for natural product discovery
-
COI: 1:CAS:528:DC%2BC2cXotFekurk%3D
-
Hufsky, F., Scheubert, K., & Böcker, S. (2014). New kids on the block: Novel informatics methods for natural product discovery. Natural Products Reports,31, 807–817.
-
(2014)
Natural Products Reports
, vol.31
, pp. 807-817
-
-
Hufsky, F.1
Scheubert, K.2
Böcker, S.3
-
29
-
-
0035472251
-
Kendrick mass defect spectrum: A compact visual analysis for ultrahigh-resolution broadband mass spectra
-
COI: 1:CAS:528:DC%2BD3MXmtlWisbo%3D, PID: 11605846
-
Hughey, C. A., Hendrickson, C. L., Rodgers, R. P., Marshall, A. G., & Qian, K. (2001). Kendrick mass defect spectrum: A compact visual analysis for ultrahigh-resolution broadband mass spectra. Analytical Chemistry,73(19), 4676–4681.
-
(2001)
Analytical Chemistry
, vol.73
, Issue.19
, pp. 4676-4681
-
-
Hughey, C.A.1
Hendrickson, C.L.2
Rodgers, R.P.3
Marshall, A.G.4
Qian, K.5
-
30
-
-
84902141676
-
Comparison of the activation time effects and the internal energy distributions for the CID, PQD and HCD excitation modes
-
COI: 1:CAS:528:DC%2BC2cXpsValu7g%3D, PID: 24913402
-
Ichou, F., Schwarzenberg, A., Lesage, D., Alves, S., Junot, C., Machuron-Mandard, X., & Tabet, J. C. (2014). Comparison of the activation time effects and the internal energy distributions for the CID, PQD and HCD excitation modes. Journal of Mass Spectrometry,49(6), 498–508.
-
(2014)
Journal of Mass Spectrometry
, vol.49
, Issue.6
, pp. 498-508
-
-
Ichou, F.1
Schwarzenberg, A.2
Lesage, D.3
Alves, S.4
Junot, C.5
Machuron-Mandard, X.6
Tabet, J.C.7
-
31
-
-
44349092469
-
Metabolite annotations based on the integration of mass spectral information
-
COI: 1:CAS:528:DC%2BD1cXnsVynsb4%3D, PID: 18266924
-
Iijima, Y., Nakamura, Y., Ogata, Y., Tanaka, K., Sakurai, N., Suda, K., et al. (2008). Metabolite annotations based on the integration of mass spectral information. The Plant Journal,54(5), 949–962.
-
(2008)
The Plant Journal
, vol.54
, Issue.5
, pp. 949-962
-
-
Iijima, Y.1
Nakamura, Y.2
Ogata, Y.3
Tanaka, K.4
Sakurai, N.5
Suda, K.6
Suzuki, T.7
Suzuki, H.8
Okazaki, K.9
Kitayama, M.10
Kanaya, S.11
Aoki, K.12
Shibata, D.13
-
32
-
-
84876153251
-
The use of mass defect plots for the identification of (novel) halogenated contaminants in the environment
-
COI: 1:CAS:528:DC%2BC3sXhsFKmtbs%3D
-
Jobst, K. J., Shen, L., Reiner, E. J., Taguchi, V. Y., Helm, P. A., McCrindle, R., & Backus, S. (2013). The use of mass defect plots for the identification of (novel) halogenated contaminants in the environment. Analytical Biochemistry,405, 3289–3297.
-
(2013)
Analytical Biochemistry
, vol.405
, pp. 3289-3297
-
-
Jobst, K.J.1
Shen, L.2
Reiner, E.J.3
Taguchi, V.Y.4
Helm, P.A.5
McCrindle, R.6
Backus, S.7
-
33
-
-
84908503823
-
High resolution mass spectrometry based techniques at the crossroads of metabolic pathways
-
COI: 1:CAS:528:DC%2BC2cXhs1yit7rM, PID: 24288070
-
Junot, C., Fenaille, F., Colsch, B., & Bécher, F. (2014). High resolution mass spectrometry based techniques at the crossroads of metabolic pathways. Mass Spectrometry Reviews,33(6), 471–500.
-
(2014)
Mass Spectrometry Reviews
, vol.33
, Issue.6
, pp. 471-500
-
-
Junot, C.1
Fenaille, F.2
Colsch, B.3
Bécher, F.4
-
34
-
-
77955790535
-
Fourier transform mass spectrometry for metabolome analysis
-
COI: 1:CAS:528:DC%2BC3cXhtVehs7nJ, PID: 20574587
-
Junot, C., Madalinski, G., Tabet, J. C., & Ezan, E. (2010). Fourier transform mass spectrometry for metabolome analysis. Analyst,135, 2203–2219.
-
(2010)
Analyst
, vol.135
, pp. 2203-2219
-
-
Junot, C.1
Madalinski, G.2
Tabet, J.C.3
Ezan, E.4
-
35
-
-
84864008587
-
In silico identification software (ISIS): A machine learning approach to tandem mass spectral identification of lipids
-
COI: 1:CAS:528:DC%2BC38XptF2htrY%3D, PID: 22592377
-
Kangas, L. J., Metz, T. O., Isaac, G., Schrom, B. T., Ginovska-Pangovska, B., Wang, L., et al. (2012). In silico identification software (ISIS): A machine learning approach to tandem mass spectral identification of lipids. Bioinformatics,28(13), 1705–1713.
-
(2012)
Bioinformatics
, vol.28
, Issue.13
, pp. 1705-1713
-
-
Kangas, L.J.1
Metz, T.O.2
Isaac, G.3
Schrom, B.T.4
Ginovska-Pangovska, B.5
Wang, L.6
Tan, L.7
Lewis, R.R.8
Miller, J.H.9
-
36
-
-
33644867564
-
MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data
-
COI: 1:CAS:528:DC%2BD28XhvVeks7o%3D, PID: 16403790
-
Katajamaa, M., Miettinen, J., & Oresic, M. (2006). MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data. Bioinformatics,22(5), 634–636.
-
(2006)
Bioinformatics
, vol.22
, Issue.5
, pp. 634-636
-
-
Katajamaa, M.1
Miettinen, J.2
Oresic, M.3
-
37
-
-
34347405493
-
Data processing for mass spectrometry-based metabolomics
-
COI: 1:CAS:528:DC%2BD2sXnsFylsb8%3D, PID: 17466315
-
Katajamaa, M., & Oresic, M. (2007). Data processing for mass spectrometry-based metabolomics. Journal of Chromatography A,1158, 318–328.
-
(2007)
Journal of Chromatography A
, vol.1158
, pp. 318-328
-
-
Katajamaa, M.1
Oresic, M.2
-
38
-
-
0001261561
-
2 = 14.0000 for high resolution mass spectrometry of organic compounds
-
COI: 1:CAS:528:DyaF2cXisl2ksA%3D%3D
-
2 = 14.0000 for high resolution mass spectrometry of organic compounds. Analytical Chemistry,35(13), 2146–2154.
-
(1963)
Analytical Chemistry
, vol.35
, Issue.13
, pp. 2146-2154
-
-
Kendrick, E.1
-
39
-
-
84913580305
-
ALLocator: An interactive web platform for the analysis of metabolomic LC-ESI-MS datasets, enabling semi-automated, user-revised compound annotation and mass isotopomer ratio analysis
-
PID: 25426929
-
Kessler, N., Walter, F., Persicke, M., Albaum, S. P., Kalinowski, J., Goesmann, A., et al. (2014). ALLocator: An interactive web platform for the analysis of metabolomic LC-ESI-MS datasets, enabling semi-automated, user-revised compound annotation and mass isotopomer ratio analysis. PLoS ONE,9(11), e113909.
-
(2014)
PLoS ONE
, vol.9
, Issue.11
, pp. 113909
-
-
Kessler, N.1
Walter, F.2
Persicke, M.3
Albaum, S.P.4
Kalinowski, J.5
Goesmann, A.6
Niehaus, K.7
Nattkemper, T.W.8
-
40
-
-
0142104156
-
Graphical method for analysis of ultrahigh-resolution broadband mass spectra of natural organic matter, the Van Krevelen diagram
-
COI: 1:CAS:528:DC%2BD3sXnt1OhsrY%3D, PID: 14710810
-
Kim, S., Kramer, R. W., & Hatcher, P. G. (2003). Graphical method for analysis of ultrahigh-resolution broadband mass spectra of natural organic matter, the Van Krevelen diagram. Analytical Chemistry,75, 5336–5344.
-
(2003)
Analytical Chemistry
, vol.75
, pp. 5336-5344
-
-
Kim, S.1
Kramer, R.W.2
Hatcher, P.G.3
-
41
-
-
33646754900
-
Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm
-
PID: 16646969
-
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, 234–244.
-
(2006)
BMC Bioinformatics
, vol.7
, pp. 234-244
-
-
Kind, T.1
Fiehn, O.2
-
42
-
-
34247163207
-
Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry
-
PID: 17389044
-
Kind, T., & Fiehn, O. (2007). Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics,8, 105–125.
-
(2007)
BMC Bioinformatics
, vol.8
, pp. 105-125
-
-
Kind, T.1
Fiehn, O.2
-
43
-
-
78650737804
-
Advances in structure elucidation of small molecules using mass spectrometry
-
PID: 21289855
-
Kind, T., & Fiehn, O. (2010). Advances in structure elucidation of small molecules using mass spectrometry. Bioanalytical reviews,2, 23–60.
-
(2010)
Bioanalytical reviews
, vol.2
, pp. 23-60
-
-
Kind, T.1
Fiehn, O.2
-
44
-
-
84881476562
-
LipidBlast in silico tandem mass spectrometry database for lipid identification
-
COI: 1:CAS:528:DC%2BC3sXhtVaktLrF, PID: 23817071
-
Kind, T., Liu, K. H., Lee, D. Y., DeFelice, B., Meissen, J. K., & Fiehn, O. (2013). LipidBlast in silico tandem mass spectrometry database for lipid identification. Nature Methods,10(8), 755–758.
-
(2013)
Nature Methods
, vol.10
, Issue.8
, pp. 755-758
-
-
Kind, T.1
Liu, K.H.2
Lee, D.Y.3
DeFelice, B.4
Meissen, J.K.5
Fiehn, O.6
-
45
-
-
67649785231
-
How large is the metabolome? A critical analysis of data exchange practices in chemistry
-
Kind, T., Scholz, M., & Fiehn, O. (2009). How large is the metabolome? A critical analysis of data exchange practices in chemistry. PlosOne,4(5), e5440.
-
(2009)
PlosOne
, vol.4
, Issue.5
, pp. 5440
-
-
Kind, T.1
Scholz, M.2
Fiehn, O.3
-
46
-
-
33847216556
-
Fundamentals of molecular formula assignment to ultrahigh resolution mass data of natural organic matter
-
COI: 1:CAS:528:DC%2BD2sXjtVahtg%3D%3D, PID: 17297983
-
Koch, B. P., Dittmar, T., Witt, M., & Kattner, G. (2007). Fundamentals of molecular formula assignment to ultrahigh resolution mass data of natural organic matter. Analytical Chemistry,79, 1758–1763.
-
(2007)
Analytical Chemistry
, vol.79
, pp. 1758-1763
-
-
Koch, B.P.1
Dittmar, T.2
Witt, M.3
Kattner, G.4
-
48
-
-
20244380782
-
GMD@CSB.DB: The Golm metabolome database
-
COI: 1:CAS:528:DC%2BD2MXjtlGgsrg%3D, PID: 15613389
-
Kopka, J., Schauer, N., Krueger, S., Birkemeyer, C., Usadel, B., Bergmüller, E., et al. (2005). GMD@CSB.DB: The Golm metabolome database. Bioinformatics,21(8), 1635–1638.
-
(2005)
Bioinformatics
, vol.21
, Issue.8
, pp. 1635-1638
-
-
Kopka, J.1
Schauer, N.2
Krueger, S.3
Birkemeyer, C.4
Usadel, B.5
Bergmüller, E.6
Dörmann, P.7
Weckwerth, W.8
Gibon, Y.9
Stitt, M.10
Willmitzer, L.11
Fernie, A.R.12
Steinhauser, D.13
-
49
-
-
3042763199
-
Identification of black carbon derived structures in a volcanic ash soil humic acid by Fourier transform ion cyclotron resonance mass spectrometry
-
COI: 1:CAS:528:DC%2BD2cXjslOiuro%3D, PID: 15260339
-
Kramer, R. W., Kujawinski, E. B., & Hatcher, P. G. (2004). Identification of black carbon derived structures in a volcanic ash soil humic acid by Fourier transform ion cyclotron resonance mass spectrometry. Environmental Science and Technology,38(12), 3387–3395.
-
(2004)
Environmental Science and Technology
, vol.38
, Issue.12
, pp. 3387-3395
-
-
Kramer, R.W.1
Kujawinski, E.B.2
Hatcher, P.G.3
-
50
-
-
84855402302
-
CAMERA: An integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets
-
COI: 1:CAS:528:DC%2BC3MXhsFansLvL, PID: 22111785
-
Kuhl, C., Tautenhahn, R., Böttcher, C., Larson, T. R., & Neumann, S. (2012). CAMERA: An integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets. Analytical Chemistry,84(1), 283–289.
-
(2012)
Analytical Chemistry
, vol.84
, Issue.1
, pp. 283-289
-
-
Kuhl, C.1
Tautenhahn, R.2
Böttcher, C.3
Larson, T.R.4
Neumann, S.5
-
51
-
-
84891767304
-
DrugBank 4.0: Shedding new light on drug metabolism
-
COI: 1:CAS:528:DC%2BC2cXos1Kh, PID: 24203711
-
Law, V., Knox, C., Djoumbou, Y., Jewison, T., Guo, A. C., Liu, Y., et al. (2014). DrugBank 4.0: Shedding new light on drug metabolism. Nucleic Acids Research,42, D1091–D1097.
-
(2014)
Nucleic Acids Research
, vol.42
, pp. 1091-1097
-
-
Law, V.1
Knox, C.2
Djoumbou, Y.3
Jewison, T.4
Guo, A.C.5
Liu, Y.6
Maciejewski, A.7
Arndt, D.8
Wilson, M.9
Neveu, V.10
Tang, A.11
Gabriel, G.12
Ly, C.13
Adamjee, S.14
Dame, Z.T.15
Han, B.16
Zhou, Y.17
Wishart, D.S.18
-
52
-
-
77951262163
-
Improved detection of reactive metabolites with a bromine-containing glutathione analog using mass defect and isotope pattern matching
-
COI: 1:CAS:528:DC%2BC3cXkslOgs70%3D, PID: 20391594
-
LeBlanc, A., Shiao, T. C., Roy, R., & Sleno, L. (2010). Improved detection of reactive metabolites with a bromine-containing glutathione analog using mass defect and isotope pattern matching. Rapid Communications in Mass Spectrometry,24, 1241–1250.
-
(2010)
Rapid Communications in Mass Spectrometry
, vol.24
, pp. 1241-1250
-
-
LeBlanc, A.1
Shiao, T.C.2
Roy, R.3
Sleno, L.4
-
53
-
-
79957799286
-
Structural identification of the metabolites for strictosamide in rats bile by an ion trap-TOF mass spectrometer and mass defect filter technique
-
COI: 1:CAS:528:DC%2BC3MXntFSmt7g%3D
-
Liang, Y., Xiao, W., Dai, C., Xie, L., Ding, G., Wang, G., et al. (2011). Structural identification of the metabolites for strictosamide in rats bile by an ion trap-TOF mass spectrometer and mass defect filter technique. Journal of Chromatography B,879, 1819–1822.
-
(2011)
Journal of Chromatography B
, vol.879
, pp. 1819-1822
-
-
Liang, Y.1
Xiao, W.2
Dai, C.3
Xie, L.4
Ding, G.5
Wang, G.6
Meng, Z.7
Zhang, J.8
Kang, A.9
Xie, T.10
Liu, Y.11
Zhou, Y.12
Liu, W.13
Zhao, L.14
Xu, J.15
-
54
-
-
70349974706
-
Unraveling different chemical fingerprints between a champagne wine and its aerosols
-
COI: 1:CAS:528:DC%2BD1MXht1OgsrfL, PID: 19805335
-
Liger-Belair, G., Cilindre, C., Gougeon, R. D., Lucio, M., Gebefügi, I., Jeandet, P., & Schmitt-Kopplin, P. (2009). Unraveling different chemical fingerprints between a champagne wine and its aerosols. PNAS,106(39), 16545–16549.
-
(2009)
PNAS
, vol.106
, Issue.39
, pp. 16545-16549
-
-
Liger-Belair, G.1
Cilindre, C.2
Gougeon, R.D.3
Lucio, M.4
Gebefügi, I.5
Jeandet, P.6
Schmitt-Kopplin, P.7
-
55
-
-
65249132985
-
MetAlign: Interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing
-
COI: 1:CAS:528:DC%2BD1MXjsVKktbo%3D, PID: 19301908
-
Lommen, A. (2009). MetAlign: Interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing. Analytical Chemistry,81(8), 3079–3086.
-
(2009)
Analytical Chemistry
, vol.81
, Issue.8
, pp. 3079-3086
-
-
Lommen, A.1
-
56
-
-
84924936057
-
Post-acquisition data processing for the screening of transformation products of different organic contaminants. Two-year monitoring of river water using LC-ESI-QTOF-MS and GCxGC-EI-TOF-MS
-
PID: 24952251
-
López, S. H., Ulaszewska, M. M., Hernando, M. D., Bueno, M. J., Gómez, M. J., & Fernández-Alba, A. R. (2014). Post-acquisition data processing for the screening of transformation products of different organic contaminants. Two-year monitoring of river water using LC-ESI-QTOF-MS and GCxGC-EI-TOF-MS. Environmental Science and Pollution Research International,21, 12583–12604.
-
(2014)
Environmental Science and Pollution Research International
, vol.21
, pp. 12583-12604
-
-
López, S.H.1
Ulaszewska, M.M.2
Hernando, M.D.3
Bueno, M.J.4
Gómez, M.J.5
Fernández-Alba, A.R.6
-
57
-
-
42949111593
-
Direct introduction of biological samples into a LTQ-Orbitrap hybrid mass spectrometer as a tool for fast metabolome analysis
-
COI: 1:CAS:528:DC%2BD1cXjsVGnsrk%3D, PID: 18351782
-
Madalinski, G., Godat, E., Alves, S., Lesage, D., Genin, E., Levi, P., et al. (2008). Direct introduction of biological samples into a LTQ-Orbitrap hybrid mass spectrometer as a tool for fast metabolome analysis. Analytical Chemistry,80(9), 3291–3303.
-
(2008)
Analytical Chemistry
, vol.80
, Issue.9
, pp. 3291-3303
-
-
Madalinski, G.1
Godat, E.2
Alves, S.3
Lesage, D.4
Genin, E.5
Levi, P.6
Labarre, J.7
Tabet, J.C.8
Ezan, E.9
Junot, C.10
-
58
-
-
33745264884
-
Dynamic range of mass accuracy in LTQ Orbitrap hybrid mass spectrometer
-
COI: 1:CAS:528:DC%2BD28XmsVyjtbw%3D, PID: 16750636
-
Makarov, A., Denisov, E., Lange, O., & Horning, S. (2006). Dynamic range of mass accuracy in LTQ Orbitrap hybrid mass spectrometer. Journal of the American Society for Mass Spectrometry,17(7), 977–982.
-
(2006)
Journal of the American Society for Mass Spectrometry
, vol.17
, Issue.7
, pp. 977-982
-
-
Makarov, A.1
Denisov, E.2
Lange, O.3
Horning, S.4
-
59
-
-
70449094032
-
Quadrupole ion traps
-
COI: 1:STN:280:DC%2BD1Mjislektw%3D%3D, PID: 19492348
-
March Raymond, E. (2009). Quadrupole ion traps. Mass Spectrometry Reviews,28(6), 961–989.
-
(2009)
Mass Spectrometry Reviews
, vol.28
, Issue.6
, pp. 961-989
-
-
March Raymond, E.1
-
60
-
-
0031623267
-
Fourier transform ion cyclotron mass spectrometry: A primer
-
COI: 1:CAS:528:DyaK1cXmsFantbk%3D, PID: 9768511
-
Marshall, A. G., Hendrickson, C. L., & Jackson, G. S. (1998). Fourier transform ion cyclotron mass spectrometry: A primer. Mass Spectrometry Reviews,17(1), 1–35.
-
(1998)
Mass Spectrometry Reviews
, vol.17
, Issue.1
, pp. 1-35
-
-
Marshall, A.G.1
Hendrickson, C.L.2
Jackson, G.S.3
-
61
-
-
1642494964
-
Petroleomics: The next grand challenge for chemical analysis
-
COI: 1:CAS:528:DC%2BD3sXpsFaqs7Y%3D, PID: 14730994
-
Marshall, A. G., & Rodgers, R. P. (2004). Petroleomics: The next grand challenge for chemical analysis. Accounts of Chemical Research,37(1), 53–59.
-
(2004)
Accounts of Chemical Research
, vol.37
, Issue.1
, pp. 53-59
-
-
Marshall, A.G.1
Rodgers, R.P.2
-
62
-
-
77954184244
-
A strategy for the determination of the elemental composition by Fourier transform ion cyclotron resonance mass spectrometry based on isotopic peak ratios
-
COI: 1:CAS:528:DC%2BC3cXmvF2rurk%3D, PID: 20521766
-
Miura, D., Tsuji, Y., Takahashi, K., Wariishi, H., & Saito, K. (2010). A strategy for the determination of the elemental composition by Fourier transform ion cyclotron resonance mass spectrometry based on isotopic peak ratios. Analytical Chemistry,82, 5887–5891.
-
(2010)
Analytical Chemistry
, vol.82
, pp. 5887-5891
-
-
Miura, D.1
Tsuji, Y.2
Takahashi, K.3
Wariishi, H.4
Saito, K.5
-
63
-
-
78650173423
-
Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules
-
COI: 1:CAS:528:DC%2BC3cXht1KnsrbN, PID: 20936272
-
Neumann, S., & Böcker, S. (2010). Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules. Analytical and Bioanalytical Chemistry,398, 2779–2788.
-
(2010)
Analytical and Bioanalytical Chemistry
, vol.398
, pp. 2779-2788
-
-
Neumann, S.1
Böcker, S.2
-
64
-
-
84924051642
-
Winners of CASMI 2013: Automated tools and challenge data
-
Nishioka, T., Kasama, T., Kinumi, T., Makabe, H., Matsuda, F., Miura, D., et al. (2014). Winners of CASMI 2013: Automated tools and challenge data. Mass Spectrometry (Tokyo),3, 1–13.
-
(2014)
Mass Spectrometry (Tokyo)
, vol.3
, pp. 1-13
-
-
Nishioka, T.1
Kasama, T.2
Kinumi, T.3
Makabe, H.4
Matsuda, F.5
Miura, D.6
Miyashita, M.7
Nakamura, T.8
Tanaka, K.9
Yamamoto, A.10
-
65
-
-
77950627695
-
Application of Fourier-transform ion cyclotron resonance mass spectrometry to metabolic profiling and metabolite identification
-
COI: 1:CAS:528:DC%2BC3cXjslSjtb8%3D, PID: 20171870
-
Ohta, D., Kanaya, S., & Suzuki, H. (2010). Application of Fourier-transform ion cyclotron resonance mass spectrometry to metabolic profiling and metabolite identification. Current Opinion in Biotechnology,21, 35–44.
-
(2010)
Current Opinion in Biotechnology
, vol.21
, pp. 35-44
-
-
Ohta, D.1
Kanaya, S.2
Suzuki, H.3
-
66
-
-
0032168794
-
Systematic functional analysis of the yeast genome
-
COI: 1:CAS:528:DyaK1cXls1Onsbc%3D, PID: 9744112
-
Oliver, S. G., Winson, M. K., Kell, D. B., & Baganz, F. (1998). Systematic functional analysis of the yeast genome. Trends in Biotechnology,16, 373–378.
-
(1998)
Trends in Biotechnology
, vol.16
, pp. 373-378
-
-
Oliver, S.G.1
Winson, M.K.2
Kell, D.B.3
Baganz, F.4
-
67
-
-
84898910545
-
Ion mobility derived collision cross sections to support metabolomics applications
-
COI: 1:CAS:528:DC%2BC2cXksVWisbs%3D, PID: 24640936
-
Paglia, G., Williams, J. P., Menikarachchi, L., Thompson, J. W., Tyldesley-Worster, R., Halldorsson, S., et al. (2014). Ion mobility derived collision cross sections to support metabolomics applications. Analytical Chemistry,86, 3985–3993.
-
(2014)
Analytical Chemistry
, vol.86
, pp. 3985-3993
-
-
Paglia, G.1
Williams, J.P.2
Menikarachchi, L.3
Thompson, J.W.4
Tyldesley-Worster, R.5
Halldorsson, S.6
Rolfsson, O.7
Moseley, A.8
Grant, D.9
Langridge, J.10
Palsson, B.O.11
Astarita, G.12
-
68
-
-
0024730573
-
Biosynthesis of estradiol-17beta fatty acyl esters by microsomes derived from bovine liver and adrenals
-
COI: 1:CAS:528:DyaL1MXmt1Gmsrk%3D, PID: 2779237
-
Paris, A., & Rao, D. (1989). Biosynthesis of estradiol-17beta fatty acyl esters by microsomes derived from bovine liver and adrenals. Journal of Steroid Biochemistry,33(3), 465–472.
-
(1989)
Journal of Steroid Biochemistry
, vol.33
, Issue.3
, pp. 465-472
-
-
Paris, A.1
Rao, D.2
-
69
-
-
84875787706
-
Automated pipeline for de novo metabolite Identification using mass-spectrometry-based metabolomics
-
COI: 1:CAS:528:DC%2BC3sXhslalsLw%3D, PID: 23368721
-
Peironcely, J. E., Rojas-Cherto, M., Tas, A., Vreeken, R., Reijmers, T., Coulier, L., & Hankemeier, T. (2013). Automated pipeline for de novo metabolite Identification using mass-spectrometry-based metabolomics. Analytical Chemistry,85, 3576–3583.
-
(2013)
Analytical Chemistry
, vol.85
, pp. 3576-3583
-
-
Peironcely, J.E.1
Rojas-Cherto, M.2
Tas, A.3
Vreeken, R.4
Reijmers, T.5
Coulier, L.6
Hankemeier, T.7
-
70
-
-
33344464424
-
Application of a linear ion trap/orbitrap mass spectrometer in metabolite characterization studies: Examination of the Human Liver Microsomal Metabolism of the non-tricyclic anti-depressant nefazodone using data-dependent accurate mass measurements
-
COI: 1:CAS:528:DC%2BD28XhvFOjt7o%3D, PID: 16442304
-
Peterman, S. M., Duczak, N., Kalgutkar, A. S., Lame, M. E., & Soglia, J. R. (2006). Application of a linear ion trap/orbitrap mass spectrometer in metabolite characterization studies: Examination of the Human Liver Microsomal Metabolism of the non-tricyclic anti-depressant nefazodone using data-dependent accurate mass measurements. Journal of the American Society for Mass Spectrometry,17, 363–375.
-
(2006)
Journal of the American Society for Mass Spectrometry
, vol.17
, pp. 363-375
-
-
Peterman, S.M.1
Duczak, N.2
Kalgutkar, A.S.3
Lame, M.E.4
Soglia, J.R.5
-
71
-
-
84910663296
-
Development of a GC/Quadrupole-Orbitrap mass spectrometer, part II: New approaches for discovery metabolomics
-
COI: 1:CAS:528:DC%2BC2cXhsVekt7vF, PID: 25166283
-
Peterson, A. C., Balloon, A. J., Westphall, M. S., & Coon, J. J. (2014). Development of a GC/Quadrupole-Orbitrap mass spectrometer, part II: New approaches for discovery metabolomics. Analytical Chemistry,86(20), 10044–10051.
-
(2014)
Analytical Chemistry
, vol.86
, Issue.20
, pp. 10044-10051
-
-
Peterson, A.C.1
Balloon, A.J.2
Westphall, M.S.3
Coon, J.J.4
-
72
-
-
65549128165
-
The renaissance of high-energy CID for structural elucidation of complex lipids: MALDI-TOF/RTOF-MS of alkali cationized triacylglycerols
-
COI: 1:CAS:528:DC%2BD1MXmtVehurk%3D, PID: 19251438
-
Pittenauer, E., & Allmaier, G. (2009). The renaissance of high-energy CID for structural elucidation of complex lipids: MALDI-TOF/RTOF-MS of alkali cationized triacylglycerols. Journal of the American Society for Mass Spectrometry,20(6), 1037–1047.
-
(2009)
Journal of the American Society for Mass Spectrometry
, vol.20
, Issue.6
, pp. 1037-1047
-
-
Pittenauer, E.1
Allmaier, G.2
-
73
-
-
77954772536
-
MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
-
PID: 20650010
-
Pluskal, T., Castillo, S., Villar-Briones, A., & Oresic, M. (2010). MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data. BMC Bioinformatics,11, 395–406.
-
(2010)
BMC Bioinformatics
, vol.11
, pp. 395-406
-
-
Pluskal, T.1
Castillo, S.2
Villar-Briones, A.3
Oresic, M.4
-
74
-
-
78649529343
-
Ozone-induced dissociation on a modified tandem linear ion-trap: Observations of different reactivity for isomeric lipids
-
COI: 1:CAS:528:DC%2BC3cXhsVGisb%2FN, PID: 20869881
-
Poad, B. L. J., Pham, H. T., Thomas, M. C., Nealon, J. R., Campbell, J. L., Mitchell, T. W., & Blanksby, S. J. (2010). Ozone-induced dissociation on a modified tandem linear ion-trap: Observations of different reactivity for isomeric lipids. Journal of the American Society for Mass Spectrometry,21, 1989–1999.
-
(2010)
Journal of the American Society for Mass Spectrometry
, vol.21
, pp. 1989-1999
-
-
Poad, B.L.J.1
Pham, H.T.2
Thomas, M.C.3
Nealon, J.R.4
Campbell, J.L.5
Mitchell, T.W.6
Blanksby, S.J.7
-
75
-
-
0345310074
-
Metabolism and excretion of a new antianxiety drug candidate, CP-93,393, in cynomolgus monkeys. Identification of the novel pyrimidine ring cleaved metabolites
-
COI: 1:CAS:528:DyaK2sXotVymtL4%3D, PID: 9394030
-
Prakash, C., & Cui, D. (1997). Metabolism and excretion of a new antianxiety drug candidate, CP-93,393, in cynomolgus monkeys. Identification of the novel pyrimidine ring cleaved metabolites. Drug Metabolism and Disposition,25, 1395–1406.
-
(1997)
Drug Metabolism and Disposition
, vol.25
, pp. 1395-1406
-
-
Prakash, C.1
Cui, D.2
-
76
-
-
34248582576
-
Analytical strategies for identifying drug metabolites
-
COI: 1:CAS:528:DC%2BD2sXlvFCgu7Y%3D, PID: 17405144
-
Prakash, C., Shaffer, C. L., & Nedderman, A. (2007). Analytical strategies for identifying drug metabolites. Mass Spectrometry Reviews,26(3), 340–369.
-
(2007)
Mass Spectrometry Reviews
, vol.26
, Issue.3
, pp. 340-369
-
-
Prakash, C.1
Shaffer, C.L.2
Nedderman, A.3
-
77
-
-
84859400853
-
Identifying the unknowns by aligning fragmentation trees
-
COI: 1:CAS:528:DC%2BC38Xjt12ltbk%3D, PID: 22390817
-
Rasche, F., Scheubert, K., Hufsky, F., Zichner, T., Kai, M., Svatos, A., & Böcker, S. (2012). Identifying the unknowns by aligning fragmentation trees. Analytical Chemistry,84(7), 3417–3426.
-
(2012)
Analytical Chemistry
, vol.84
, Issue.7
, pp. 3417-3426
-
-
Rasche, F.1
Scheubert, K.2
Hufsky, F.3
Zichner, T.4
Kai, M.5
Svatos, A.6
Böcker, S.7
-
78
-
-
0034189918
-
Investigation of the in vitro metabolism of 17ß-estradiol by LC-MS/MS using ESI and APCI
-
COI: 1:CAS:528:DC%2BD3cXnslGku7o%3D
-
Rathahao, E., Hillenweck, A., Paris, A., & Debrauwer, L. (2000). Investigation of the in vitro metabolism of 17ß-estradiol by LC-MS/MS using ESI and APCI. Analusis,28(4), 273–279.
-
(2000)
Analusis
, vol.28
, Issue.4
, pp. 273-279
-
-
Rathahao, E.1
Hillenweck, A.2
Paris, A.3
Debrauwer, L.4
-
79
-
-
0442276571
-
Liquid chromatography coupled to negative electrospray/ion trap mass spectrometry for identification of isomeric glutathione conjugates of catechol estrogens
-
COI: 1:CAS:528:DC%2BD2cXhtVCqsLc%3D
-
Rathahao, E., Page, A., Jouanin, I., Paris, A., & Debrauwer, L. (2004). Liquid chromatography coupled to negative electrospray/ion trap mass spectrometry for identification of isomeric glutathione conjugates of catechol estrogens. International Journal of Mass Spectrometry,231, 119–129.
-
(2004)
International Journal of Mass Spectrometry
, vol.231
, pp. 119-129
-
-
Rathahao, E.1
Page, A.2
Jouanin, I.3
Paris, A.4
Debrauwer, L.5
-
80
-
-
84947434833
-
Identification of xenobiotic metabolites from biological fluids using flow injection analysis high-resolution mass spectrometry and post-acquisition data filtering
-
COI: 1:CAS:528:DC%2BC2cXhvVyrtL3K, PID: 25380493
-
Rathahao-Paris, E., Paris, A., Bursztyka, J., Jaeg, J. P., Cravedi, J. P., & Debrauwer, L. (2014). Identification of xenobiotic metabolites from biological fluids using flow injection analysis high-resolution mass spectrometry and post-acquisition data filtering. Rapid Communications in Mass Spectrometry,28(24), 2713–2722.
-
(2014)
Rapid Communications in Mass Spectrometry
, vol.28
, Issue.24
, pp. 2713-2722
-
-
Rathahao-Paris, E.1
Paris, A.2
Bursztyka, J.3
Jaeg, J.P.4
Cravedi, J.P.5
Debrauwer, L.6
-
81
-
-
84900534206
-
Using biomarkers in wastewater to monitor community drug use: A conceptual approach for dealing with new psychoactive substances
-
COI: 1:CAS:528:DC%2BC2cXotlWluw%3D%3D, PID: 24412561
-
Reid, M. J., Baz-Lomba, J. A., Ryu, Y., & Thomas, K. V. (2014). Using biomarkers in wastewater to monitor community drug use: A conceptual approach for dealing with new psychoactive substances. Science of the Total Environment,487, 651–658.
-
(2014)
Science of the Total Environment
, vol.487
, pp. 651-658
-
-
Reid, M.J.1
Baz-Lomba, J.A.2
Ryu, Y.3
Thomas, K.V.4
-
82
-
-
84879199446
-
Automatic chemical structure annotation of an LC-MSn based metabolic profile from green tea
-
COI: 1:CAS:528:DC%2BC3sXnsVKksbg%3D, PID: 23662787
-
Ridder, L., van der Hooft, J. J. J., Verhoeven, V., de Vos, R. C., Bino, R. J., & Vervoort, J. (2013). Automatic chemical structure annotation of an LC-MSn based metabolic profile from green tea. Analytical Chemistry,85, 6033–6040.
-
(2013)
Analytical Chemistry
, vol.85
, pp. 6033-6040
-
-
Ridder, L.1
van der Hooft, J.J.J.2
Verhoeven, V.3
de Vos, R.C.4
Bino, R.J.5
Vervoort, J.6
-
83
-
-
84901267802
-
In silico prediction and automatic LC-MS(n) annotation of green tea metabolites in urine
-
COI: 1:CAS:528:DC%2BC2cXmtVOhsbs%3D, PID: 24779709
-
Ridder, L., van der Hooft, J. J., Verhoeven, S., de Vos, R. C., Vervoort, J., & Bino, R. J. (2014). In silico prediction and automatic LC-MS(n) annotation of green tea metabolites in urine. Analytical Chemistry,86(10), 4767–4774.
-
(2014)
Analytical Chemistry
, vol.86
, Issue.10
, pp. 4767-4774
-
-
Ridder, L.1
van der Hooft, J.J.2
Verhoeven, S.3
de Vos, R.C.4
Vervoort, J.5
Bino, R.J.6
-
84
-
-
84864632392
-
Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-orbitrap mass spectrometer
-
COI: 1:CAS:528:DC%2BC38Xps1Gjs7g%3D, PID: 22770225
-
Roux, A., Xu, Y., Heilier, J. F., Olivier, M. F., Ezan, E., Tabet, J. C., & Junot, C. (2012). Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-orbitrap mass spectrometer. Analytical Chemistry,84(15), 6429–6437.
-
(2012)
Analytical Chemistry
, vol.84
, Issue.15
, pp. 6429-6437
-
-
Roux, A.1
Xu, Y.2
Heilier, J.F.3
Olivier, M.F.4
Ezan, E.5
Tabet, J.C.6
Junot, C.7
-
85
-
-
79955689999
-
Databases on food phytochemicals and their health-promoting effects
-
COI: 1:CAS:528:DC%2BC3MXksFamsLc%3D, PID: 21438636
-
Scalbert, A., Andres-Lacueva, C., Arita, M., Kroon, P., Manach, C., Urpi-Sarda, M., & Wishart, D. S. (2011). Databases on food phytochemicals and their health-promoting effects. Journal of Agricultural. Food Chemistry,59(9), 4331–4348.
-
(2011)
Journal of Agricultural. Food Chemistry
, vol.59
, Issue.9
, pp. 4331-4348
-
-
Scalbert, A.1
Andres-Lacueva, C.2
Arita, M.3
Kroon, P.4
Manach, C.5
Urpi-Sarda, M.6
Wishart, D.S.7
-
86
-
-
74449085466
-
Mass-spectrometry-based metabolomics: Limitations and recommendations for future progress with particular focus on nutrition research
-
COI: 1:CAS:528:DC%2BD1MXhsFGrurfL, PID: 20046865
-
Scalbert, A., Brennan, L., Fiehn, O., Hankemeier, T., Kristal, B. S., van Ommen, B., et al. (2009). Mass-spectrometry-based metabolomics: Limitations and recommendations for future progress with particular focus on nutrition research. Metabolomics,5(4), 435–458.
-
(2009)
Metabolomics
, vol.5
, Issue.4
, pp. 435-458
-
-
Scalbert, A.1
Brennan, L.2
Fiehn, O.3
Hankemeier, T.4
Kristal, B.S.5
van Ommen, B.6
Pujos-Guillot, E.7
Verheij, E.8
Wishart, D.9
Wopereis, S.10
-
87
-
-
79953267955
-
PeakML/mzMatch: A file format, java library, R library, and tool-chain for mass spectrometry data analysis
-
COI: 1:CAS:528:DC%2BC3MXjtVKisrk%3D, PID: 21401061
-
Scheltema, R. A., Jankevics, A., Jansen, R. C., Swertz, M. A., & Breitling, R. (2011). PeakML/mzMatch: A file format, java library, R library, and tool-chain for mass spectrometry data analysis. Analytical Chemistry,83(7), 2786–2793.
-
(2011)
Analytical Chemistry
, vol.83
, Issue.7
, pp. 2786-2793
-
-
Scheltema, R.A.1
Jankevics, A.2
Jansen, R.C.3
Swertz, M.A.4
Breitling, R.5
-
88
-
-
84877343392
-
Computational mass spectrometry for small molecules
-
Scheubert, K., Hufsky, F., & Böcker, S. (2013). Computational mass spectrometry for small molecules. Journal of Cheminformatics,5(1), 1–24.
-
(2013)
Journal of Cheminformatics
, vol.5
, Issue.1
, pp. 1-24
-
-
Scheubert, K.1
Hufsky, F.2
Böcker, S.3
-
89
-
-
84877808163
-
Identification tree based on fragmentation rules for structure elucidation of organophosphorus esters by electrospray mass spectrometry
-
COI: 1:CAS:528:DC%2BC3sXnsFGntbg%3D, PID: 23674282
-
Schwarzenberg, A., Ichou, F., Cole, R. B., Machuron-Mandard, X., Junot, C., Lesage, D., & Tabet, J. C. (2013). Identification tree based on fragmentation rules for structure elucidation of organophosphorus esters by electrospray mass spectrometry. Journal of Mass Spectrometry,48(5), 576–586.
-
(2013)
Journal of Mass Spectrometry
, vol.48
, Issue.5
, pp. 576-586
-
-
Schwarzenberg, A.1
Ichou, F.2
Cole, R.B.3
Machuron-Mandard, X.4
Junot, C.5
Lesage, D.6
Tabet, J.C.7
-
90
-
-
85016485767
-
CASMI: And the winner is…
-
COI: 1:CAS:528:DC%2BC3sXhtV2qu73O, PID: 24957999
-
Schymanski, E. L., & Neumann, S. (2013). CASMI: And the winner is…. Metabolites,3, 412–439.
-
(2013)
Metabolites
, vol.3
, pp. 412-439
-
-
Schymanski, E.L.1
Neumann, S.2
-
91
-
-
79960026139
-
Separation and classification of lipids using differential ion mobility spectrometry
-
COI: 1:CAS:528:DC%2BC3MXnt1OhsLY%3D, PID: 21953096
-
Shvartsburg, A. A., Isaac, G., Leveque, N., Smith, R. D., & Metz, T. O. (2011). Separation and classification of lipids using differential ion mobility spectrometry. Journal of the American Society for Mass Spectrometry,22, 1146–1155.
-
(2011)
Journal of the American Society for Mass Spectrometry
, vol.22
, pp. 1146-1155
-
-
Shvartsburg, A.A.1
Isaac, G.2
Leveque, N.3
Smith, R.D.4
Metz, T.O.5
-
92
-
-
20144388265
-
Quantitative proteomic analysis by accurate mass retention time pairs
-
COI: 1:CAS:528:DC%2BD2MXhslaitrY%3D, PID: 15801753
-
Silva, J. C., Denny, R., Dorschel, C. A., Gorenstein, M., Kass, I. J., Li, G. Z., et al. (2005). Quantitative proteomic analysis by accurate mass retention time pairs. Analytical Chemistry,77(1), 2187–2200.
-
(2005)
Analytical Chemistry
, vol.77
, Issue.1
, pp. 2187-2200
-
-
Silva, J.C.1
Denny, R.2
Dorschel, C.A.3
Gorenstein, M.4
Kass, I.J.5
Li, G.Z.6
McKenna, T.7
Nold, M.J.8
Richardson, K.9
Young, P.10
Geromanos, S.11
-
93
-
-
34249310713
-
The application of electrospray ionization coupled to ultrahigh resolution mass spectrometry for the molecular characterization of natural organic matter
-
COI: 1:CAS:528:DC%2BD2sXmtVWrt7s%3D, PID: 17474116
-
Sleighter, R. L., & Hatcher, P. G. (2007). The application of electrospray ionization coupled to ultrahigh resolution mass spectrometry for the molecular characterization of natural organic matter. Journal of Mass Spectrometry,42, 559–574.
-
(2007)
Journal of Mass Spectrometry
, vol.42
, pp. 559-574
-
-
Sleighter, R.L.1
Hatcher, P.G.2
-
94
-
-
84857494184
-
The use of mass defect in modern mass spectrometry
-
COI: 1:CAS:528:DC%2BC38XivVeqtbo%3D, PID: 22359333
-
Sleno, L. (2012). The use of mass defect in modern mass spectrometry. Journal of Mass Spectrometry,47, 226–236.
-
(2012)
Journal of Mass Spectrometry
, vol.47
, pp. 226-236
-
-
Sleno, L.1
-
95
-
-
32444432587
-
METLIN: A metabolite mass spectral database
-
COI: 1:CAS:528:DC%2BD2MXhtlSrtr%2FO, PID: 16404815
-
Smith, C. A., O’Maille, G., Want, E. J., Qin, C., Trauger, S. A., Brandon, T. R., et al. (2005). METLIN: A metabolite mass spectral database. Therapeutic Drug Monitoring,27(6), 747–751.
-
(2005)
Therapeutic Drug Monitoring
, 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
-
96
-
-
32444446805
-
XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
-
COI: 1:CAS:528:DC%2BD28XitVyqtA%3D%3D, PID: 16448051
-
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(3), 779–787.
-
(2006)
Analytical Chemistry
, 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
-
97
-
-
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
-
COI: 1:CAS:528:DC%2BD28Xht1ykt7rE, PID: 16931035
-
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
-
98
-
-
34748888866
-
Proposed minimum reporting standards for chemical analysis
-
COI: 1:CAS:528:DC%2BD2sXhtFOntbvL, PID: 24039616
-
Sumner, L. W., Amberg, A., Barrett, D., Beale, M. H., Beger, R., Daykin, C. A., et al. (2007). Proposed minimum reporting standards for chemical analysis. Metabolomics,3(3), 211–221.
-
(2007)
Metabolomics
, vol.3
, Issue.3
, pp. 211-221
-
-
Sumner, L.W.1
Amberg, A.2
Barrett, D.3
Beale, M.H.4
Beger, R.5
Daykin, C.A.6
Fan, T.W.-M.7
Fiehn, O.8
Goodacre, R.9
Griffin, J.L.10
Hankemeier, T.11
Hardy, N.12
Harnly, J.13
Higashi, R.14
Kopka, J.15
Lane, A.N.16
Lindon, J.C.17
Marriott, P.18
Nicholls, A.W.19
Reily, M.D.20
Thaden, J.J.21
Viant, M.R.22
more..
-
99
-
-
77958162909
-
Dioxin analysis by gas chromatography-Fourier transform ion cyclotron resonance mass spectrometry (GC-FTICR-MS)
-
COI: 1:CAS:528:DC%2BC3cXhtleqt7vK, PID: 20727785
-
Taguchi, V. Y., Nieckarz, R. J., Clement, R. E., Krolik, S., & Williams, R. (2010). Dioxin analysis by gas chromatography-Fourier transform ion cyclotron resonance mass spectrometry (GC-FTICR-MS). Journal of the American Society for Mass Spectrometry,21, 1918–1921.
-
(2010)
Journal of the American Society for Mass Spectrometry
, vol.21
, pp. 1918-1921
-
-
Taguchi, V.Y.1
Nieckarz, R.J.2
Clement, R.E.3
Krolik, S.4
Williams, R.5
-
100
-
-
84861915827
-
XCMS Online: A web-based platform to process untargeted metabolomic data
-
COI: 1:CAS:528:DC%2BC38XmtFWjsb0%3D, PID: 22533540
-
Tautenhahn, R., Patti, G. J., Rinehart, D., & Siuzdak, G. (2012). XCMS Online: A web-based platform to process untargeted metabolomic data. Analytical Chemistry,84(11), 5035–5039.
-
(2012)
Analytical Chemistry
, vol.84
, Issue.11
, pp. 5035-5039
-
-
Tautenhahn, R.1
Patti, G.J.2
Rinehart, D.3
Siuzdak, G.4
-
101
-
-
77955982347
-
The isotopic mass defect: A tool for limiting molecular formulas by accurate mass
-
COI: 1:CAS:528:DC%2BC3cXjtFyntLk%3D, PID: 20229008
-
Thurman, E. M., & Ferrer, I. (2010). The isotopic mass defect: A tool for limiting molecular formulas by accurate mass. Analytical and Bioanalytical Chemistry,397, 2807–2816.
-
(2010)
Analytical and Bioanalytical Chemistry
, vol.397
, pp. 2807-2816
-
-
Thurman, E.M.1
Ferrer, I.2
-
102
-
-
84930181342
-
MS-DIAL: Data-independent MS/MS deconvolution for comprehensive metabolome analysis
-
COI: 1:CAS:528:DC%2BC2MXnslOns78%3D, PID: 25938372
-
Tsugawa, H., Cajka, T., Kind, T., Ma, Y., Higgins, B., Ikeda, K., et al. (2015). MS-DIAL: Data-independent MS/MS deconvolution for comprehensive metabolome analysis. Nature Methods,12(6), 523–526.
-
(2015)
Nature Methods
, vol.12
, Issue.6
, pp. 523-526
-
-
Tsugawa, H.1
Cajka, T.2
Kind, T.3
Ma, Y.4
Higgins, B.5
Ikeda, K.6
Kanazawa, M.7
VanderGheynst, J.8
Fiehn, O.9
Arita, M.10
-
103
-
-
84930182757
-
Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics
-
COI: 1:CAS:528:DC%2BC2MXmsF2gur4%3D, PID: 26213431
-
Vaniya, A., & Fiehn, O. (2015). Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics. Trends in Analytical Chemistry,69, 52–61.
-
(2015)
Trends in Analytical Chemistry
, vol.69
, pp. 52-61
-
-
Vaniya, A.1
Fiehn, O.2
-
104
-
-
84907885060
-
MIDAS: A database-searching algorithm for metabolite identification in metabolomics
-
COI: 1:CAS:528:DC%2BC2cXhsVWltbzJ, PID: 25157598
-
Wang, Y., Kora, G., Bowen, B. P., & Pan, C. (2014). MIDAS: A database-searching algorithm for metabolite identification in metabolomics. Analytical Chemistry,86(19), 9496–9503.
-
(2014)
Analytical Chemistry
, vol.86
, Issue.19
, pp. 9496-9503
-
-
Wang, Y.1
Kora, G.2
Bowen, B.P.3
Pan, C.4
-
105
-
-
79956129310
-
Characterization of isotopic abundance measurements in high resolution FT-ICR and orbitrap mass spectra for improved confidence of metabolite identification
-
COI: 1:CAS:528:DC%2BC3MXkvVCmurs%3D, PID: 21466230
-
Weber, R. J. M., Southam, A. D., Sommer, U., & Viant, M. R. (2011). Characterization of isotopic abundance measurements in high resolution FT-ICR and orbitrap mass spectra for improved confidence of metabolite identification. Analytical Chemistry,83, 3737–3743.
-
(2011)
Analytical Chemistry
, vol.83
, pp. 3737-3743
-
-
Weber, R.J.M.1
Southam, A.D.2
Sommer, U.3
Viant, M.R.4
-
106
-
-
78650524431
-
Interpretation of ESI(+)-MS-MS spectra—Towards the identification of “unknowns
-
COI: 1:CAS:528:DC%2BC3cXhs1aksrnN
-
Weissberg, A., & Dagan, S. (2011). Interpretation of ESI(+)-MS-MS spectra—Towards the identification of “unknowns”. International Journal of Mass Spectrometry,299(2–3), 158–168.
-
(2011)
International Journal of Mass Spectrometry
, vol.299
, Issue.2-3
, pp. 158-168
-
-
Weissberg, A.1
Dagan, S.2
-
107
-
-
46849103589
-
Mass spectrometry-based metabolomics: Accelerating the characterization of discriminating signals by combining statistical correlations and ultrahigh resolution
-
COI: 1:CAS:528:DC%2BD1cXms1ags7o%3D, PID: 18512947
-
Werner, E., Croixmarie, V., Umbdenstock, T., Ezan, E., Chaminade, P., Tabet, J. C., & Junot, C. (2008a). Mass spectrometry-based metabolomics: Accelerating the characterization of discriminating signals by combining statistical correlations and ultrahigh resolution. Analytical Chemistry,80(13), 4918–4932.
-
(2008)
Analytical Chemistry
, vol.80
, Issue.13
, pp. 4918-4932
-
-
Werner, E.1
Croixmarie, V.2
Umbdenstock, T.3
Ezan, E.4
Chaminade, P.5
Tabet, J.C.6
Junot, C.7
-
108
-
-
48749115768
-
Mass spectrometry for the identification of the discriminating signals from metabolomics: Current status and future trends
-
COI: 1:CAS:528:DC%2BD1cXps12isbg%3D
-
Werner, E., Heilier, J.-F., Ducruix, C., Ezan, E., Junot, C., & Tabet, J. C. (2008b). Mass spectrometry for the identification of the discriminating signals from metabolomics: Current status and future trends. Journal of Chromatography B,871, 143–163.
-
(2008)
Journal of Chromatography B
, vol.871
, pp. 143-163
-
-
Werner, E.1
Heilier, J.-F.2
Ducruix, C.3
Ezan, E.4
Junot, C.5
Tabet, J.C.6
-
109
-
-
80051682403
-
Advances in metabolite identification
-
COI: 1:CAS:528:DC%2BC3MXhtVSnsrzM, PID: 21827274
-
Wishart, D. S. (2011). Advances in metabolite identification. Bioanalysis,3(15), 1769–1782.
-
(2011)
Bioanalysis
, vol.3
, Issue.15
, pp. 1769-1782
-
-
Wishart, D.S.1
-
110
-
-
84946074829
-
T3DB: The toxic exposome database
-
PID: 25378312
-
Wishart, D., Arndt, D., Pon, A., Sajed, T., Guo, A. C., Djoumbou, Y., et al. (2015). T3DB: The toxic exposome database. Nucleic Acids Research,43, D928–D934.
-
(2015)
Nucleic Acids Research
, vol.43
, pp. 928-934
-
-
Wishart, D.1
Arndt, D.2
Pon, A.3
Sajed, T.4
Guo, A.C.5
Djoumbou, Y.6
Knox, C.7
Wilson, M.8
Liang, Y.9
Grant, J.10
Liu, Y.11
Goldansaz, S.A.12
Rappaport, S.M.13
-
111
-
-
58149202163
-
HMDB: A knowledgebase for the human metabolome
-
COI: 1:CAS:528:DC%2BD1cXhsFejt7fO, PID: 18953024
-
Wishart, D. S., Knox, C., Guo, A. C., Eisner, R., Young, N., Gautam, B., et al. (2009). HMDB: A knowledgebase for the human metabolome. Nucleic Acids Research,37, D603–D610.
-
(2009)
Nucleic Acids Research
, vol.37
, pp. 603-610
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Eisner, R.4
Young, N.5
Gautam, B.6
Hau, D.D.7
Psychogios, N.8
Dong, E.9
Bouatra, S.10
Mandal, R.11
Sinelnikov, I.12
Xia, J.13
Jia, L.14
Cruz, J.A.15
Lim, E.16
Sobsey, C.A.17
Shrivastava, S.18
Huang, P.19
Liu, P.20
Fang, L.21
Peng, J.22
Fradette, R.23
Cheng, D.24
Tzur, D.25
Clements, M.26
Lewis, A.27
De Souza, A.28
Zuniga, A.29
Dawe, M.30
Xiong, Y.31
Clive, D.32
Greiner, R.33
Nazyrova, A.34
Shaykhutdinov, R.35
Li, L.36
Vogel, H.J.37
Forsythe, I.38
more..
-
112
-
-
33846088138
-
HMDB: The Human metabolome database
-
COI: 1:CAS:528:DC%2BD2sXivFKhtA%3D%3D, PID: 17202168
-
Wishart, D. S., Tzur, D., Knox, C., Eisner, R., Guo, A. C., Young, N., et al. (2007). HMDB: The Human metabolome database. Nucleic Acids Research,35, D521–D526.
-
(2007)
Nucleic Acids Research
, vol.35
, pp. 521-526
-
-
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
Fung, C.11
Nikolai, L.12
Lewis, M.13
Coutouly, M.-A.14
Forsythe, I.15
Tang, P.16
Shrivastava, S.17
Jeroncic, K.18
Stothard, P.19
Amegbey, G.20
Block, D.21
Hau, D.D.22
Wagner, J.23
Miniaci, J.24
Clements, M.25
Gebremedhin, M.26
Guo, N.27
Zhang, Y.28
Duggan, G.E.29
MacInnis, G.D.30
Weljie, A.M.31
Dowlatabadi, R.32
Bamforth, F.33
Clive, D.34
Greiner, R.35
Li, L.36
Marrie, T.37
Skyes, B.D.38
Vogel, H.J.39
Querengesser, L.40
more..
-
113
-
-
77952302069
-
In silico fragmentation for computer assisted identification of metabolite mass spectra
-
PID: 20307295
-
Wolf, S., Schmidt, S., Müller-Hannemann, M., & Neumann, S. (2010). In silico fragmentation for computer assisted identification of metabolite mass spectra. BMC Bioinformatics,11, 148–160.
-
(2010)
BMC Bioinformatics
, vol.11
, pp. 148-160
-
-
Wolf, S.1
Schmidt, S.2
Müller-Hannemann, M.3
Neumann, S.4
-
114
-
-
2342630578
-
Two- and three-dimensional van Krevelen diagrams: A graphical analysis complementary to the kendrick mass plot for sorting elemental compositions of complex organic mixtures based on ultrahigh-resolution broadband Fourier transform ion cyclotron resonance mass measurements
-
COI: 1:CAS:528:DC%2BD2cXisVyisr0%3D, PID: 15117191
-
Wu, Z., Rodgers, R. P., & Marshall, A. G. (2004). Two- and three-dimensional van Krevelen diagrams: A graphical analysis complementary to the kendrick mass plot for sorting elemental compositions of complex organic mixtures based on ultrahigh-resolution broadband Fourier transform ion cyclotron resonance mass measurements. Analytical Chemistry,76, 2511–2516.
-
(2004)
Analytical Chemistry
, vol.76
, pp. 2511-2516
-
-
Wu, Z.1
Rodgers, R.P.2
Marshall, A.G.3
-
115
-
-
67849106535
-
MetaboAnalyst: A web server for metabolomic data analysis and interpretation
-
COI: 1:CAS:528:DC%2BD1MXosFSkt7c%3D, PID: 19429898
-
Xia, J., Psychogios, N., Young, N., & Wishart, D. S. (2009). MetaboAnalyst: A web server for metabolomic data analysis and interpretation. Nucleic Acids Research,37(Web Server issue), W652–W660.
-
(2009)
Nucleic Acids Research
, vol.37
, Issue.Web Server issue
, pp. 652-660
-
-
Xia, J.1
Psychogios, N.2
Young, N.3
Wishart, D.S.4
-
116
-
-
84855978541
-
High resolution mass spectrometry
-
COI: 1:CAS:528:DC%2BC38XlvVWrtg%3D%3D, PID: 22263633
-
Xian, F., Hendrickson, C. L., & Marshall, A. G. (2012). High resolution mass spectrometry. Analytical Chemistry,84(2), 708–719.
-
(2012)
Analytical Chemistry
, vol.84
, Issue.2
, pp. 708-719
-
-
Xian, F.1
Hendrickson, C.L.2
Marshall, A.G.3
-
117
-
-
77954195244
-
Evaluation of accurate mass and relative isotopic abundance measurements in the LTQ-Orbitrap mass spectrometer for further metabolomics database building
-
COI: 1:CAS:528:DC%2BC3cXmvVSmt74%3D, PID: 20515063
-
Xu, Y., Heilier, J.-F., Madalinski, G., Genin, E., Ezan, E., Tabet, J.-C., & Junot, C. (2010). Evaluation of accurate mass and relative isotopic abundance measurements in the LTQ-Orbitrap mass spectrometer for further metabolomics database building. Analytical Chemistry,82, 5490–5501.
-
(2010)
Analytical Chemistry
, vol.82
, pp. 5490-5501
-
-
Xu, Y.1
Heilier, J.-F.2
Madalinski, G.3
Genin, E.4
Ezan, E.5
Tabet, J.-C.6
Junot, C.7
-
118
-
-
84874614277
-
Hybrid feature detection and information accumulation using high- resolution LC-MS metabolomics data
-
COI: 1:CAS:528:DC%2BC3sXhs1aju78%3D, PID: 23362826
-
Yu, T., Park, Y., Li, S., & Jones, D. P. (2013). Hybrid feature detection and information accumulation using high- resolution LC-MS metabolomics data. Journal of Proteome Research,12, 1419–1427.
-
(2013)
Journal of Proteome Research
, vol.12
, pp. 1419-1427
-
-
Yu, T.1
Park, Y.2
Li, S.3
Jones, D.P.4
-
119
-
-
0345073634
-
Biotransformations of bisphenol A in a mammalian model: Answers and new questions raised by low-dose metabolic fate studies in pregnant CD1 mice
-
COI: 1:CAS:528:DC%2BD3sXislKgt7c%3D, PID: 12611660
-
Zalko, D., Soto, A., Dolo, L., Dorio, C., Rathahao, E., Debrauwer, L., et al. (2003). Biotransformations of bisphenol A in a mammalian model: Answers and new questions raised by low-dose metabolic fate studies in pregnant CD1 mice. Environmental Health Perspectives,111, 309–319.
-
(2003)
Environmental Health Perspectives
, vol.111
, pp. 309-319
-
-
Zalko, D.1
Soto, A.2
Dolo, L.3
Dorio, C.4
Rathahao, E.5
Debrauwer, L.6
Faure, R.7
Cravedi, J.P.8
-
120
-
-
84898883962
-
Ion fusion of high-resolution LC-MS-based metabolomics data to discover more reliable biomarkers
-
Zeng, Z., Liu, X., Dai, W., Yin, P., Zhou, L., Huang, Q., et al. (2014). Ion fusion of high-resolution LC-MS-based metabolomics data to discover more reliable biomarkers. Analytical Chemistry,2014(86), 3793–3800.
-
(2014)
Analytical Chemistry
, vol.2014
, Issue.86
, pp. 3793-3800
-
-
Zeng, Z.1
Liu, X.2
Dai, W.3
Yin, P.4
Zhou, L.5
Huang, Q.6
Lin, X.7
Xu, G.8
-
121
-
-
0242521617
-
A software filter to remove interference ions from drug metabolites in accurate mass liquid chromatography/mass spectrometric analyses
-
COI: 1:CAS:528:DC%2BD3sXovFCltb0%3D, PID: 14595861
-
Zhang, H., Zhang, D., & Ray, K. (2003). A software filter to remove interference ions from drug metabolites in accurate mass liquid chromatography/mass spectrometric analyses. Journal of Mass Spectrometry,38, 1110–1112.
-
(2003)
Journal of Mass Spectrometry
, vol.38
, pp. 1110-1112
-
-
Zhang, H.1
Zhang, D.2
Ray, K.3
-
122
-
-
67650494794
-
Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry
-
COI: 1:CAS:528:DC%2BD1MXpsV2mtro%3D, PID: 19598168
-
Zhang, H., Zhang, D., Ray, K., & Zhu, M. (2009). Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry. Journal of Mass Spectrometry,44, 999–1016.
-
(2009)
Journal of Mass Spectrometry
, vol.44
, pp. 999-1016
-
-
Zhang, H.1
Zhang, D.2
Ray, K.3
Zhu, M.4
-
123
-
-
46849091191
-
Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection
-
COI: 1:CAS:528:DC%2BD1cXotF2gs7Y%3D, PID: 18512844
-
Zhang, H., Zhu, M., Ray, K. L., Ma, L., & Zhang, D. (2008). Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection. Rapid Communications in Mass Spectrometry,22, 2082–2088.
-
(2008)
Rapid Communications in Mass Spectrometry
, vol.22
, pp. 2082-2088
-
-
Zhang, H.1
Zhu, M.2
Ray, K.L.3
Ma, L.4
Zhang, D.5
-
124
-
-
84894556923
-
HAMMER: Automated operation of mass frontier to construct in silico mass spectral fragmentation libraries
-
COI: 1:CAS:528:DC%2BC2cXjtVClsro%3D, PID: 24336413
-
Zhou, J., Weber, R., Allwood, J. W., Mistrik, R., Zhu, Z., Ji, Z., et al. (2014). HAMMER: Automated operation of mass frontier to construct in silico mass spectral fragmentation libraries. Bioinformatics,30(4), 581–583.
-
(2014)
Bioinformatics
, vol.30
, Issue.4
, pp. 581-583
-
-
Zhou, J.1
Weber, R.2
Allwood, J.W.3
Mistrik, R.4
Zhu, Z.5
Ji, Z.6
Chen, S.7
Dunn, W.8
He, S.9
Viant, M.10
-
125
-
-
33748902567
-
Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data
-
COI: 1:CAS:528:DC%2BD28XhtVCltbvP, PID: 16815965
-
Zhu, M., Ma, L., Zhang, D., Ray, K., Zhao, W., Humphreys, W. G., et al. (2006). Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data. Drug Metabolism and Disposition,34, 1722–1733.
-
(2006)
Drug Metabolism and Disposition
, vol.34
, pp. 1722-1733
-
-
Zhu, M.1
Ma, L.2
Zhang, D.3
Ray, K.4
Zhao, W.5
Humphreys, W.G.6
Skiles, G.7
Sanders, M.8
Zhang, H.9
|