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org/10.1021/ac403384n
88. Kanehisa M, Araki M, Goto S, Hattori M, Hirakawa M, Itoh M, Katayama T, Kawashima S,
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89. Karp PD, Riley M, Paley SM, Pellegrini-Toole A (2002) The MetaCyc database. Nucleic Acids
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pathway editing for the people. PLoS Biol 6(7):e184. https://doi.org/10.1371/journal.
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91. Kleinridders A, Ferris HA, Reyzer ML, Rath M, Soto M, Manier ML, Spraggins J, Yang
Z, Stanton RC, Caprioli RM et al (2018) Regional differences in brain glucose metabolism
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molmet.2018.03.013
92. Aue WP, Bartholdi E, Ernst RR (1976) Two-dimensional spectroscopy. Application to nuclear
magnetic resonance. J Chem Phys 64(5):2229–2246. https://doi.org/10.1063/1.432450
93. Martineau E, Dumez JN, Giraudeau P (2019., No. February, 1–14) Fast quantitative 2D NMR
for metabolomics and lipidomics: a tutorial. Magn Reson Chem. https://doi.org/10.1002/
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4 Fundamentals of Mass Spectrometry-Based Metabolomics
85. Jeffryes JG, Colastani RL, Elbadawi-Sidhu M, Kind T, Niehaus TD, Broadbelt LJ, Hanson
AD, Fiehn O, Tyo KEJ, Henry CS (2015) MINEs: open access databases of computationally
predicted enzyme promiscuity products for untargeted metabolomics. J Cheminform 7(1):44.
https://doi.org/10.1186/s13321-015-0087-1
86. mzCloud – Statistics (2019). https://www.mzcloud.org/Stats. Accessed Sep 12, 2019
87. Huang X, Chen Y-J, Cho K, Nikolskiy I, Crawford PA, Patti GJX (2014)
13 CMS: global tracking of isotopic labels in untargeted metabolomics. Anal Chem 86(3):1632–1639. https://doi.
org/10.1021/ac403384n
88. Kanehisa M, Araki M, Goto S, Hattori M, Hirakawa M, Itoh M, Katayama T, Kawashima S,
Okuda S, Tokimatsu T et al (2007) KEGG for linking genomes to life and the environment.
Nucleic Acids Res 36(Database):D480–D484. https://doi.org/10.1093/nar/gkm882
89. Karp PD, Riley M, Paley SM, Pellegrini-Toole A (2002) The MetaCyc database. Nucleic Acids
Res 30(1):59–61. https://doi.org/10.1093/nar/30.1.59
90. Pico AR, Kelder T, van Iersel MP, Hanspers K, Conklin BR, Evelo C (2008) WikiPathways:
pathway editing for the people. PLoS Biol 6(7):e184. https://doi.org/10.1371/journal.
pbio.0060184
91. Kleinridders A, Ferris HA, Reyzer ML, Rath M, Soto M, Manier ML, Spraggins J, Yang
Z, Stanton RC, Caprioli RM et al (2018) Regional differences in brain glucose metabolism
determined by imaging mass spectrometry. Mol Metab 12:113–121. https://doi.org/10.1016/j.
molmet.2018.03.013
92. Aue WP, Bartholdi E, Ernst RR (1976) Two-dimensional spectroscopy. Application to nuclear
magnetic resonance. J Chem Phys 64(5):2229–2246. https://doi.org/10.1063/1.432450
93. Martineau E, Dumez JN, Giraudeau P (2019., No. February, 1–14) Fast quantitative 2D NMR
for metabolomics and lipidomics: a tutorial. Magn Reson Chem. https://doi.org/10.1002/
mrc.4899
4 Fundamentals of Mass Spectrometry-Based Metabolomics