-
1
-
-
84857226999
-
KNApSAcK family databases: integrated metabolite-plant species databases for multifaceted plant research
-
Afendi, F. M., Okada, T., Yamazaki, M., Hirai-Morita, A., Nakamura, Y., Nakamura, K., et al. (2012). KNApSAcK family databases: integrated metabolite-plant species databases for multifaceted plant research. Plant Cell Physiol. 53, e1. doi: 10.1093/pcp/pcr165
-
(2012)
Plant Cell Physiol
, vol.53
-
-
Afendi, F.M.1
Okada, T.2
Yamazaki, M.3
Hirai-Morita, A.4
Nakamura, Y.5
Nakamura, K.6
-
2
-
-
0008814957
-
-
Rep. No EPA600M-87021. Duluth, MN: United States Environmental Protection Agency, Environmental Research Laboratory
-
Anderson, E., Veith, G. D., and Weininger, D. (1987). SMILES: A Line Notation and Computerized Interpreter for Chemical Structures. Rep. No EPA600M-87021. Duluth, MN: United States Environmental Protection Agency, Environmental Research Laboratory.
-
(1987)
SMILES: A Line Notation and Computerized Interpreter for Chemical Structures
-
-
Anderson, E.1
Veith, G.D.2
Weininger, D.3
-
3
-
-
84941137806
-
Super natural II-a database of natural products
-
Banerjee, P., Erehman, J., Gohlke, B.-O., Wilhelm, T., Preissner, R., and Dunkel, M. (2015). Super natural II-a database of natural products. Nucleic Acids Res. 43, D935-D939. doi:10.1093/nar/gku886
-
(2015)
Nucleic Acids Res
, vol.43
, pp. D935-D939
-
-
Banerjee, P.1
Erehman, J.2
Gohlke, B.-O.3
Wilhelm, T.4
Preissner, R.5
Dunkel, M.6
-
4
-
-
50049096775
-
XCMS2: processing tandem mass spectrometry data for metabolite identification and structural characterization
-
Benton, H. P., Wong, D. M., Trauger, S. A., and Siuzdak, G. (2008). XCMS2: processing tandem mass spectrometry data for metabolite identification and structural characterization. Anal. Chem. 80, 6382-6389. doi:10.1021/ac800795f
-
(2008)
Anal. Chem
, vol.80
, pp. 6382-6389
-
-
Benton, H.P.1
Wong, D.M.2
Trauger, S.A.3
Siuzdak, G.4
-
6
-
-
84868563961
-
TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database
-
Bingol, K., Zhang, F., Bruschweiler-Li, L., and Brüschweiler, R. (2012). TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database. Anal. Chem. 84, 9395-9401. doi:10.1021/ac302197e
-
(2012)
Anal. Chem
, vol.84
, pp. 9395-9401
-
-
Bingol, K.1
Zhang, F.2
Bruschweiler-Li, L.3
Brüschweiler, R.4
-
7
-
-
84885306563
-
Data, 1H-NMR databases, data manipulation
-
Blunt, J. W., and Munro, M. H. G. (2013). Data, 1H-NMR databases, data manipulation,.. Phytochem. Rev. 12, 435-447. doi:10.1007/s11101-012-9245-5
-
(2013)
Phytochem. Rev
, vol.12
, pp. 435-447
-
-
Blunt, J.W.1
Munro, M.H.G.2
-
8
-
-
54949108677
-
'Chapter 12-PubChem: integrated platform of small molecules and biological activities,'
-
eds A. W. Ralph and C. S. David (Oxford: Elsevier)
-
Bolton, E. E., Wang, Y., Thiessen, P. A., and Bryant, S. H. (2008). "Chapter 12-PubChem: integrated platform of small molecules and biological activities," in Annual Reports in Computational Chemistry, Vol. 4, eds A. W. Ralph and C. S. David (Oxford: Elsevier), 217-241. doi:10.1016/S1574-1400(08)00012-1
-
(2008)
Annual Reports in Computational Chemistry
, vol.4
, pp. 217-241
-
-
Bolton, E.E.1
Wang, Y.2
Thiessen, P.A.3
Bryant, S.H.4
-
9
-
-
84891774001
-
The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases
-
Caspi, R., Altman, T., Billington, R., Dreher, K., Foerster, H., Fulcher, C. A., et al. (2014). The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases. Nucleic Acids Res. 42, D459-D471. doi:10.1093/nar/gkt1103
-
(2014)
Nucleic Acids Res
, vol.42
, pp. D459-D471
-
-
Caspi, R.1
Altman, T.2
Billington, R.3
Dreher, K.4
Foerster, H.5
Fulcher, C.A.6
-
10
-
-
79251561193
-
TCM Database@Taiwan: the world's largest traditional Chinese medicine database for drug screening in silico
-
Chen, C. Y.-C. (2011). TCM Database@Taiwan: the world's largest traditional Chinese medicine database for drug screening in silico. PLoS ONE 6:e15939. doi:10.1371/journal.pone.0015939
-
(2011)
PLoS ONE
, vol.6
-
-
Chen, C.Y.-C.1
-
11
-
-
77749330381
-
Statistical indices for simultaneous large-scale metabolite detections for a single NMR spectrum
-
Chikayama, E., Sekiyama, Y., Okamoto, M., Nakanishi, Y., Tsuboi, Y., Akiyama, K., et al. (2010). Statistical indices for simultaneous large-scale metabolite detections for a single NMR spectrum. Anal. Chem. 82, 1653-1658. doi:10.1021/ac9022023
-
(2010)
Anal. Chem
, vol.82
, pp. 1653-1658
-
-
Chikayama, E.1
Sekiyama, Y.2
Okamoto, M.3
Nakanishi, Y.4
Tsuboi, Y.5
Akiyama, K.6
-
12
-
-
84876002671
-
Natural products: a continuing source of novel drug leads
-
Cragg, G. M., and Newman, D. J. (2013). Natural products: a continuing source of novel drug leads. Biochim. Biophys. Acta 1830, 3670-3695. doi:10.1016/j.bbagen.2013.02.008
-
(2013)
Biochim. Biophys. Acta
, vol.1830
, pp. 3670-3695
-
-
Cragg, G.M.1
Newman, D.J.2
-
13
-
-
38949178155
-
Metabolite identification via the madison metabolomics consortium database
-
Cui, Q., Lewis, I. A., Hegeman, A. D., Anderson, M. E., Li, J., Schulte, C. F., et al. (2008). Metabolite identification via the madison metabolomics consortium database. Nat. Biotechnol. 26, 162-164. doi:10.1038/nbt0208-162
-
(2008)
Nat. Biotechnol
, vol.26
, pp. 162-164
-
-
Cui, Q.1
Lewis, I.A.2
Hegeman, A.D.3
Anderson, M.E.4
Li, J.5
Schulte, C.F.6
-
14
-
-
84878942117
-
Accurate mass-time tag library for LC/MS-based metabolite profiling of medicinal plants
-
Cuthbertson, D. J., Johnson, S. R., Piljac-Žegarac, J., Kappel, J., Schäfer, S., Wüst, M., et al. (2013). Accurate mass-time tag library for LC/MS-based metabolite profiling of medicinal plants. Phytochemistry 91, 187-197. doi:10.1016/j.phytochem.2013.02.018
-
(2013)
Phytochemistry
, vol.91
, pp. 187-197
-
-
Cuthbertson, D.J.1
Johnson, S.R.2
Piljac-Žegarac, J.3
Kappel, J.4
Schäfer, S.5
Wüst, M.6
-
15
-
-
0242406775
-
Pathogen self-defense: mechanisms to counteract microbial antagonism
-
Duffy, B., Schouten, A., and Raaijmakers, J. M. (2003). Pathogen self-defense: mechanisms to counteract microbial antagonism. Annu. Rev. Phytopathol. 41, 501-538. doi:10.1146/annurev.phyto.41.052002.095606
-
(2003)
Annu. Rev. Phytopathol
, vol.41
, pp. 501-538
-
-
Duffy, B.1
Schouten, A.2
Raaijmakers, J.M.3
-
16
-
-
33644878571
-
SuperNatural: a searchable database of available natural compounds
-
Dunkel, M. (2006). SuperNatural: a searchable database of available natural compounds. Nucleic Acids Res. 34, D678-D683. doi:10.1093/nar/gkj132
-
(2006)
Nucleic Acids Res
, vol.34
, pp. D678-D683
-
-
Dunkel, M.1
-
17
-
-
84912525352
-
Databases and software for NMR-based metabolomics
-
Ellinger, J. J., Chylla, R. A., Ulrich, E. L., and Markley, J. L. (2012). Databases and software for NMR-based metabolomics. Curr. Metabolomics 1, 28-40. doi:10.2174/2213235X11301010028
-
(2012)
Curr. Metabolomics
, vol.1
, pp. 28-40
-
-
Ellinger, J.J.1
Chylla, R.A.2
Ulrich, E.L.3
Markley, J.L.4
-
18
-
-
84939996758
-
NMR spectroscopic search module for Spektraris, an online resource for plant natural product identification-taxane diterpenoids from Taxus x media cell suspension cultures as a case study
-
Fischedick, J. T., Johnson, S. R., Ketchum, R. E. B., Croteau, R. B., and Lange, B. M. (2015). NMR spectroscopic search module for Spektraris, an online resource for plant natural product identification-taxane diterpenoids from Taxus x media cell suspension cultures as a case study. Phytochemistry. doi:10.1016/j.phytochem.2014.11.020
-
(2015)
Phytochemistry
-
-
Fischedick, J.T.1
Johnson, S.R.2
Ketchum, R.E.B.3
Croteau, R.B.4
Lange, B.M.5
-
19
-
-
84867385184
-
Maximizing the value of metabolomic data
-
Goeddel, L., and Patti, G. (2012). Maximizing the value of metabolomic data. Bioanalysis 4, 2199-2201. doi:10.4155/bio.12.210
-
(2012)
Bioanalysis
, vol.4
, pp. 2199-2201
-
-
Goeddel, L.1
Patti, G.2
-
20
-
-
78751683822
-
So what have data standards ever done for us? The view from metabolomics
-
Griffin, J. L., and Steinbeck, C. (2010). So what have data standards ever done for us? The view from metabolomics. Genome Med. 2, 38. doi:10.1186/gm159
-
(2010)
Genome Med
, vol.2
, pp. 38
-
-
Griffin, J.L.1
Steinbeck, C.2
-
21
-
-
84876736739
-
Use of natural products as chemical library for drug discovery and network pharmacology
-
Gu, J., Gui, Y., Chen, L., Yuan, G., Lu, H.-Z., and Xu, X. (2013). Use of natural products as chemical library for drug discovery and network pharmacology. PLoS ONE 8:e62839. doi:10.1371/journal.pone.0062839
-
(2013)
PLoS ONE
, vol.8
-
-
Gu, J.1
Gui, Y.2
Chen, L.3
Yuan, G.4
Lu, H.-Z.5
Xu, X.6
-
22
-
-
84883630224
-
Recent advances and new strategies in the NMR-based identification of natural products
-
Halabalaki, M., Vougogiannopoulou, K., Mikros, E., and Skaltsounis, A. L. (2014). Recent advances and new strategies in the NMR-based identification of natural products. Curr. Opin. Biotechnol. 25, 1-7. doi:10.1016/j.copbio.2013.08.005
-
(2014)
Curr. Opin. Biotechnol
, vol.25
, pp. 1-7
-
-
Halabalaki, M.1
Vougogiannopoulou, K.2
Mikros, E.3
Skaltsounis, A.L.4
-
23
-
-
52049109838
-
Natural products in drug discovery
-
Harvey, A. (2008). Natural products in drug discovery. Drug Discov. Today 13, 894-901. doi:10.1016/j.drudis.2008.07.004
-
(2008)
Drug Discov. Today
, vol.13
, pp. 894-901
-
-
Harvey, A.1
-
24
-
-
84876560358
-
The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013
-
Hastings, J., de Matos, P., Dekker, A., Ennis, M., Harsha, B., Kale, N., et al. (2013). The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013. Nucleic Acids Res. 41, D456-D463. doi:10.1093/nar/gks1146
-
(2013)
Nucleic Acids Res
, vol.41
, pp. D456-D463
-
-
Hastings, J.1
de Matos, P.2
Dekker, A.3
Ennis, M.4
Harsha, B.5
Kale, N.6
-
25
-
-
84876725194
-
InChI-the worldwide chemical structure identifier standard
-
Heller, S., McNaught, A., Stein, S., Tchekhovskoi, D., and Pletnev, I. (2013). InChI-the worldwide chemical structure identifier standard. J. Cheminform. 5, 1-9. doi:10.1186/1758-2946-5-7
-
(2013)
J. Cheminform
, vol.5
, pp. 1-9
-
-
Heller, S.1
McNaught, A.2
Stein, S.3
Tchekhovskoi, D.4
Pletnev, I.5
-
26
-
-
77954439868
-
MassBank: a public repository for sharing mass spectral data for life sciences
-
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. J. Mass Spectrom. 45, 703-714. doi:10.1002/jms.1777
-
(2010)
J. Mass Spectrom
, vol.45
, pp. 703-714
-
-
Horai, H.1
Arita, M.2
Kanaya, S.3
Nihei, Y.4
Ikeda, T.5
Suwa, K.6
-
27
-
-
79954566035
-
Decision tree supported substructure prediction of metabolites from GC-MS profiles
-
Hummel, J., Strehmel, N., Selbig, J., Walther, D., and Kopka, J. (2010). Decision tree supported substructure prediction of metabolites from GC-MS profiles. Metabolomics 6, 322-333. doi:10.1007/s11306-010-0198-7
-
(2010)
Metabolomics
, vol.6
, pp. 322-333
-
-
Hummel, J.1
Strehmel, N.2
Selbig, J.3
Walther, D.4
Kopka, J.5
-
28
-
-
84864199587
-
ZINC: a free tool to discover chemistry for biology
-
Irwin, J. J., Sterling, T., Mysinger, M. M., Bolstad, E. S., and Coleman, R. G. (2012). ZINC: a free tool to discover chemistry for biology. J. Chem. Inf. Model. 52, 1757-1768. doi:10.1021/ci3001277
-
(2012)
J. Chem. Inf. Model
, vol.52
, pp. 1757-1768
-
-
Irwin, J.J.1
Sterling, T.2
Mysinger, M.M.3
Bolstad, E.S.4
Coleman, R.G.5
-
29
-
-
0022060176
-
CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectra
-
Kalchhauser, H., and Robien, W. (1985). CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectra. J. Chem. Inf. Comput. Sci. 25, 103-108. doi:10.1021/ci00046a010
-
(1985)
J. Chem. Inf. Comput. Sci
, vol.25
, pp. 103-108
-
-
Kalchhauser, H.1
Robien, W.2
-
30
-
-
84891760956
-
Data, information, knowledge and principle: back to metabolism in KEGG
-
Kanehisa, M., Goto, S., Sato, Y., Kawashima, M., Furumichi, M., and Tanabe, M. (2014). Data, information, knowledge and principle: back to metabolism in KEGG. Nucleic Acids Res. 42, D199-D205. doi:10.1093/nar/gkt1076
-
(2014)
Nucleic Acids Res
, vol.42
, pp. D199-D205
-
-
Kanehisa, M.1
Goto, S.2
Sato, Y.3
Kawashima, M.4
Furumichi, M.5
Tanabe, M.6
-
31
-
-
79956103990
-
NMR-based plant metabolomics: where do we stand, where do we go?
-
Kim, H. K., Choi, Y. H., and Verpoorte, R. (2011). NMR-based plant metabolomics: where do we stand, where do we go? Trends Biotechnol. 29, 267-275. doi:10.1016/j.tibtech.2011.02.001
-
(2011)
Trends Biotechnol
, vol.29
, pp. 267-275
-
-
Kim, H.K.1
Choi, Y.H.2
Verpoorte, R.3
-
32
-
-
78650737804
-
Advances in structure elucidation of small molecules using mass spectrometry
-
Kind, T., and Fiehn, O. (2010). Advances in structure elucidation of small molecules using mass spectrometry. Bioanal. Rev. 2, 23-60. doi:10.1007/s12566-010-0015-9
-
(2010)
Bioanal. Rev
, vol.2
, pp. 23-60
-
-
Kind, T.1
Fiehn, O.2
-
33
-
-
67649785231
-
How large is the metabolome?. A critical analysis of data exchange practices in chemistry
-
Kind, T., Scholz, M., and Fiehn, O. (2009). How large is the metabolome? A critical analysis of data exchange practices in chemistry. PLoS ONE 4:e5440. doi:10.1371/journal.pone.0005440
-
(2009)
PLoS ONE
, vol.4
-
-
Kind, T.1
Scholz, M.2
Fiehn, O.3
-
34
-
-
20244380782
-
GMD@CSB.DB: the Golm Metabolome Database
-
Kopka, J., Schauer, N., Krueger, S., Birkemeyer, C., Usadel, B., Bergmüller, E., et al. (2005). GMD@CSB.DB: the Golm Metabolome Database. Bioinformatics 21, 1635-1638. doi:10.1093/bioinformatics/bti236
-
(2005)
Bioinformatics
, vol.21
, pp. 1635-1638
-
-
Kopka, J.1
Schauer, N.2
Krueger, S.3
Birkemeyer, C.4
Usadel, B.5
Bergmüller, E.6
-
35
-
-
84873807676
-
Odorant reception in insects: roles of receptors, binding proteins, and degrading enzymes
-
Leal, W. S. (2013). Odorant reception in insects: roles of receptors, binding proteins, and degrading enzymes. Annu. Rev. Entomol. 58, 73-91. doi:10.1146/annurev-ento-120811-153635
-
(2013)
Annu. Rev. Entomol
, vol.58
, pp. 73-91
-
-
Leal, W.S.1
-
36
-
-
72249113406
-
rNMR: open source software for identifying and quantifying metabolites in NMR spectra
-
Lewis, I. A., Schommer, S. C., and Markley, J. L. (2009). rNMR: open source software for identifying and quantifying metabolites in NMR spectra. Magn. Reson. Chem. 47, S123-S126. doi:10.1002/mrc.2526
-
(2009)
Magn. Reson. Chem
, vol.47
, pp. S123-S126
-
-
Lewis, I.A.1
Schommer, S.C.2
Markley, J.L.3
-
37
-
-
36549043394
-
NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols
-
López-Pérez, J. L., Theron, R., del Olmo, E., and Diaz, D. (2007). NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23, 3256-3257. doi:10.1093/bioinformatics/btm516
-
(2007)
Bioinformatics
, vol.23
, pp. 3256-3257
-
-
López-Pérez, J.L.1
Theron, R.2
del Olmo, E.3
Diaz, D.4
-
38
-
-
84855888813
-
Birmingham metabolite library: a publicly accessible database of 1-D 1H and 2-D 1H J-resolved NMR spectra of authentic metabolite standards (BML-NMR)
-
Ludwig, C., Easton, J. M., Lodi, A., Tiziani, S., Manzoor, S. E., Southam, A. D., et al. (2012). Birmingham metabolite library: a publicly accessible database of 1-D 1H and 2-D 1H J-resolved NMR spectra of authentic metabolite standards (BML-NMR). Metabolomics 8, 8-18. doi:10.1007/s11306-011-0347-7
-
(2012)
Metabolomics
, vol.8
, pp. 8-18
-
-
Ludwig, C.1
Easton, J.M.2
Lodi, A.3
Tiziani, S.4
Manzoor, S.E.5
Southam, A.D.6
-
39
-
-
84880089861
-
Definitions of terms relating to mass spectrometry (IUPAC recommendations 2013)
-
Murray, K. K., Boys, R. K., Eberlin, M. N., Langley, G. J., Li, L., and Naito, Y. (2013). Definitions of terms relating to mass spectrometry (IUPAC recommendations 2013). Pure Appl. Chem. 85, 1515-1609. doi:10.1351/PAC-REC-06-04-06
-
(2013)
Pure Appl. Chem
, vol.85
, pp. 1515-1609
-
-
Murray, K.K.1
Boys, R.K.2
Eberlin, M.N.3
Langley, G.J.4
Li, L.5
Naito, Y.6
-
40
-
-
84867350029
-
Realising the potential of metabolomics
-
Nicholls, A. W. (2012). Realising the potential of metabolomics. Bioanalysis 4, 2195-2197. doi:10.4155/bio.12.209
-
(2012)
Bioanalysis
, vol.4
, pp. 2195-2197
-
-
Nicholls, A.W.1
-
41
-
-
84891425051
-
AfroDb: a select highly potent and diverse natural product library from African medicinal plants
-
Ntie-Kang, F., Zofou, D., Babiaka, S. B., Meudom, R., Scharfe, M., Lifongo, L. L., et al. (2013). AfroDb: a select highly potent and diverse natural product library from African medicinal plants. PLoS ONE 8:e78085. doi:10.1371/journal.pone.0078085
-
(2013)
PLoS ONE
, vol.8
-
-
Ntie-Kang, F.1
Zofou, D.2
Babiaka, S.B.3
Meudom, R.4
Scharfe, M.5
Lifongo, L.L.6
-
42
-
-
84861582277
-
NMR in metabolomics and natural products research: two sides of the same coin
-
Robinette, S. L., Brüschweiler, R., Schroeder, F. C., and Edison, A. S. (2012). NMR in metabolomics and natural products research: two sides of the same coin. Acc. Chem. Res. 45, 288-297. doi:10.1021/ar2001606
-
(2012)
Acc. Chem. Res
, vol.45
, pp. 288-297
-
-
Robinette, S.L.1
Brüschweiler, R.2
Schroeder, F.C.3
Edison, A.S.4
-
43
-
-
43949103772
-
Web server based complex mixture analysis by NMR
-
Robinette, S. L., Zhang, F., Brüschweiler-Li, L., and Brüschweiler, R. (2008). Web server based complex mixture analysis by NMR. Anal. Chem. 80, 3606-3611. doi:10.1021/ac702530t
-
(2008)
Anal. Chem
, vol.80
, pp. 3606-3611
-
-
Robinette, S.L.1
Zhang, F.2
Brüschweiler-Li, L.3
Brüschweiler, R.4
-
44
-
-
84865247010
-
RIKEN tandem mass spectral database (ReSpect) for phytochemicals: a plant-specific MS/MS-based data resource and database
-
Sawada, Y., Nakabayashi, R., Yamada, Y., Suzuki, M., Sato, M., Sakata, A., et al. (2012). RIKEN tandem mass spectral database (ReSpect) for phytochemicals: a plant-specific MS/MS-based data resource and database. Phytochemistry 82, 38-45. doi:10.1016/j.phytochem.2012.07.007
-
(2012)
Phytochemistry
, vol.82
, pp. 38-45
-
-
Sawada, Y.1
Nakabayashi, R.2
Yamada, Y.3
Suzuki, M.4
Sato, M.5
Sakata, A.6
-
45
-
-
20044368617
-
GC-MS libraries for the rapid identification of metabolites in complex biological samples
-
Schauer, N., Steinhauser, D., Strelkov, S., Schomburg, D., Allison, G., Moritz, T., et al. (2005). GC-MS libraries for the rapid identification of metabolites in complex biological samples. FEBS Lett. 579, 1332-1337. doi:10.1016/j.febslet.2005.01.029
-
(2005)
FEBS Lett
, vol.579
, pp. 1332-1337
-
-
Schauer, N.1
Steinhauser, D.2
Strelkov, S.3
Schomburg, D.4
Allison, G.5
Moritz, T.6
-
46
-
-
84877343392
-
Computational mass spectrometry for small molecules
-
Scheubert, K., Hufsky, F., and Böcker, S. (2013). Computational mass spectrometry for small molecules. J. Cheminform. 5, 12. doi:10.1186/1758-2946-5-12
-
(2013)
J. Cheminform
, vol.5
, pp. 12
-
-
Scheubert, K.1
Hufsky, F.2
Böcker, S.3
-
47
-
-
32444432587
-
METLIN: a metabolite mass spectral database
-
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. Ther. Drug Monit. 27, 747-751. doi:10.1097/01.ftd.0000179845.53213.39
-
(2005)
Ther. Drug Monit
, vol.27
, 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
-
48
-
-
0344255513
-
NMRShiftDB: constructing a free chemical information system with open-source components
-
Steinbeck, C., Krause, S., and Kuhn, S. (2003). NMRShiftDB: constructing a free chemical information system with open-source components. J. Chem. Inf. Comput. Sci. 43, 1733-1739. doi:10.1021/ci0341363
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 1733-1739
-
-
Steinbeck, C.1
Krause, S.2
Kuhn, S.3
-
49
-
-
4644245700
-
NMRShiftDB-compound identification and structure elucidation support through a free community-built web database
-
Steinbeck, C., and Kuhn, S. (2004). NMRShiftDB-compound identification and structure elucidation support through a free community-built web database. Phytochemistry 65, 2711-2717. doi:10.1016/j.phytochem.2004.08.027
-
(2004)
Phytochemistry
, vol.65
, pp. 2711-2717
-
-
Steinbeck, C.1
Kuhn, S.2
-
50
-
-
84857124407
-
Bioinformatics tools for mass spectroscopy-based metabolomic data processing and analysis
-
Sugimoto, M., Kawakami, M., Robert, M., Soga, T., and Tomita, M. (2012). Bioinformatics tools for mass spectroscopy-based metabolomic data processing and analysis. Curr. Bioinform. 7, 96. doi:10.2174/157489312799304431
-
(2012)
Curr. Bioinform
, vol.7
, pp. 96
-
-
Sugimoto, M.1
Kawakami, M.2
Robert, M.3
Soga, T.4
Tomita, M.5
-
51
-
-
34748888866
-
Proposed minimum reporting standards for chemical analysis: chemical analysis working group (CAWG) metabolomics standards initiative (MSI)
-
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: chemical analysis working group (CAWG) metabolomics standards initiative (MSI). Metabolomics 3, 211-221. doi:10.1007/s11306-007-0082-2
-
(2007)
Metabolomics
, vol.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
-
52
-
-
84905398238
-
Mass++: a visualization and analysis tool for mass spectrometry
-
Tanaka, S., Fujita, Y., Parry, H. E., Yoshizawa, A. C., Morimoto, K., Murase, M., et al. (2014). Mass++: a visualization and analysis tool for mass spectrometry. J. Proteome Res. 13, 3846-3853. doi:10.1021/pr500155z
-
(2014)
J. Proteome Res
, vol.13
, pp. 3846-3853
-
-
Tanaka, S.1
Fujita, Y.2
Parry, H.E.3
Yoshizawa, A.C.4
Morimoto, K.5
Murase, M.6
-
53
-
-
62549159971
-
Web-based resources for mass-spectrometry-based metabolomics: a user's guide
-
Tohge, T., and Fernie, A. R. (2009). Web-based resources for mass-spectrometry-based metabolomics: a user's guide. Phytochemistry 70, 450-456. doi:10.1016/j.phytochem.2009.02.004
-
(2009)
Phytochemistry
, vol.70
, pp. 450-456
-
-
Tohge, T.1
Fernie, A.R.2
-
54
-
-
80053960733
-
MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures
-
Tulpan, D., Léger, S., Belliveau, L., Culf, A., and Cuperlovic-Culf, M. (2011). MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures. BMC Bioinformatics 12:400. doi:10.1186/1471-2105-12-400
-
(2011)
BMC Bioinformatics
, vol.12
, pp. 400
-
-
Tulpan, D.1
Léger, S.2
Belliveau, L.3
Culf, A.4
Cuperlovic-Culf, M.5
-
55
-
-
38549138986
-
BioMagResBank
-
Ulrich, E. L., Akutsu, H., Doreleijers, J. F., Harano, Y., Ioannidis, Y. E., Lin, J., et al. (2008). BioMagResBank. Nucleic Acids Res. 36, D402-D408. doi:10.1093/nar/gkm957
-
(2008)
Nucleic Acids Res
, vol.36
, pp. D402-D408
-
-
Ulrich, E.L.1
Akutsu, H.2
Doreleijers, J.F.3
Harano, Y.4
Ioannidis, Y.E.5
Lin, J.6
-
56
-
-
0345701915
-
Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles
-
Wagner, C., Sefkow, M., and Kopka, J. (2003). Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles. Phytochemistry 62, 887-900. doi:10.1016/S0031-9422(02)00703-3
-
(2003)
Phytochemistry
, vol.62
, pp. 887-900
-
-
Wagner, C.1
Sefkow, M.2
Kopka, J.3
-
57
-
-
84876148784
-
HMDB 3.0-The Human Metabolome Database in 2013
-
Wishart, D. S., Jewison, T., Guo, A. C., Wilson, M., Knox, C., Liu, Y., et al. (2013). HMDB 3.0-The Human Metabolome Database in 2013. Nucleic Acids Res. 41, D801-D807. doi:10.1093/nar/gks1065
-
(2013)
Nucleic Acids Res
, vol.41
, pp. D801-D807
-
-
Wishart, D.S.1
Jewison, T.2
Guo, A.C.3
Wilson, M.4
Knox, C.5
Liu, Y.6
-
58
-
-
77952302069
-
In silico fragmentation for computer assisted identification of metabolite mass spectra
-
Wolf, S., Schmidt, S., Müller-Hannemann, M., and Neumann, S. (2010). In silico fragmentation for computer assisted identification of metabolite mass spectra. BMC Bioinformatics 11:148. doi:10.1186/1471-2105-11-148
-
(2010)
BMC Bioinformatics
, vol.11
, pp. 148
-
-
Wolf, S.1
Schmidt, S.2
Müller-Hannemann, M.3
Neumann, S.4
-
59
-
-
0000393364
-
13C-NMR, ESR and Raman spectra
-
13C-NMR, ESR and Raman spectra. Anal. Sci. 4, 233-239. doi:10.2116/analsci.4.233
-
(1988)
Anal. Sci
, vol.4
, pp. 233-239
-
-
Yamamoto, O.1
Someno, K.2
Wasada, N.3
Hiraishi, J.4
Hayamizu, K.5
Tanabe, K.6
-
60
-
-
83455203337
-
Modern analytical techniques in metabolomics analysis
-
Zhang, A., Sun, H., Wang, P., Han, Y., and Wang, X. (2012). Modern analytical techniques in metabolomics analysis. Analyst 137, 293-300. doi:10.1039/C1AN15605E
-
(2012)
Analyst
, vol.137
, pp. 293-300
-
-
Zhang, A.1
Sun, H.2
Wang, P.3
Han, Y.4
Wang, X.5
|