77
5. Papadimitropoulos M-EP, Vasilopoulou CG, Maga-Nteve C, Klapa MI (2018)
Untargeted GC-MS metabolomics. Humana Press, New York, pp 133–147. https://doi.
org/10.1007/978-1-4939-7643-0_9
6. Zhou B, Xiao JF, Tuli L, Ressom HW (2012) LC-MS-based metabolomics. Mol BioSyst
8(2):470. https://doi.org/10.1039/C1MB05350G
7. Dueñas ME, Larson EA, Lee YJ (2019) Toward mass spectrometry imaging in the metabolomics scale: increasing metabolic coverage through multiple on-tissue chemical modifications.
Front Plant Sci 10(860). https://doi.org/10.3389/fpls.2019.00860
8. Emwas A-H, Roy R, McKay RT, Tenori L, Saccenti E, Gowda GAN, Raftery D, Alahmari
F, Jaremko L, Jaremko M et al (2019) NMR spectroscopy for metabolomics research. Meta
9(7):123. https://doi.org/10.3390/metabo9070123
9. Schrimpe-Rutledge AC, Codreanu SG, Sherrod SD, McLean JA (2016) Untargeted
metabolomics strategies—challenges and emerging directions. J Am Soc Mass Spectrom
27(12):1897–1905. https://doi.org/10.1007/s13361-016-1469-y
10. Gray WR (1967) Dansyl Chloride Procedure. Methods Enzymol 11(C):139–151. https://doi.
org/10.1016/S0076-6879(67)11014-8
11. Vinayavekhin N, Saghatelian A Untargeted metabolomics. In: Current protocols in molecular
biology. Wiley, Hoboken, p 2010. https://doi.org/10.1002/0471142727.mb3001s90
12. Enders JR, McIntire GL (2015) A dilute-and-shoot LC-MS method for quantitating opioids in
Oral fluid. J Anal Toxicol 39(8):662–667. https://doi.org/10.1093/jat/bkv087
13. Ser Z, Liu X, Tang NN, Locasale JW (2015) Extraction parameters for metabolomics from
cultured cells. Anal Biochem 475:22–28. https://doi.org/10.1016/j.ab.2015.01.003
14. Boyd RK (1993) Quantitative trace analysis by combined chromatography and mass spectrometry using external and internal standards. Rapid Commun Mass Spectrom:257–271. https://
doi.org/10.1002/rcm.1290070402
15. Roberts LD, Souza AL, Gerszten RE, Clish CB Targeted Metabolomics. Curr Protoc Mol Biol
2012:1. (SUPPL.98. https://doi.org/10.1002/0471142727.mb3002s98
16. Dunn WB, Ellis DI (2005) Metabolomics: current analytical platforms and methodologies.
TrAC Trends Anal Chem 24(4):285–294. https://doi.org/10.1016/j.trac.2004.11.021
17. Cajka T, Fiehn O (2014) Comprehensive analysis of lipids in biological systems by liquid chromatography- mass spectrometry. TrAC Trends Anal Chem:192–206. https://doi.
org/10.1016/j.trac.2014.04.017
18. Jiang L, He L, Fountoulakis M (2004) Comparison of protein precipitation methods for sample preparation prior to proteomic analysis. J Chromatogr A 1023(2):317–320. https://doi.
org/10.1016/j.chroma.2003.10.029
19. Folch J, Lees M, Sloane GH (2019) A simple method for the isolation and purification of total
Lipides from animal tissues* Downloaded From; 2019
20. Bligh EG, Dyer WJ A rapid method of total lipid extraction and purification
21. Gutierrez DB, Gant-Branum RL, Romer CE, Farrow MA, Allen JL, Dahal N, Nei YW,
Codreanu SG, Jordan AT, Palmer LD et al (2018) An integrated, high-throughput strategy for
Multiomic systems level analysis. J Proteome Res 17(10):3396–3408. https://doi.org/10.1021/
acs.jproteome.8b00302
22. Gertsman I, Barshop BA (2018) Promises and pitfalls of untargeted metabolomics. J Inherit
Metab Dis:355–366. https://doi.org/10.1007/s10545-017-0130-7
23. Broadhurst D, Goodacre R, Reinke SN, Kuligowski J, Wilson ID, Lewis MR, Dunn WB (2018)
Guidelines and considerations for the use of system suitability and quality control samples in
mass spectrometry assays applied in untargeted clinical Metabolomic studies. Metabolomics.
https://doi.org/10.1007/s11306-018-1367-3
24. Haijes HA, van der Ham M, Gerrits J, van Hasselt PM, Prinsen HCMT, de Sain-van der Velden
MGM, Verhoeven-Duif NM, Jans JJM (2019) Direct-infusion based metabolomics unveils
biochemical profiles of inborn errors of metabolism in cerebrospinal fluid. Mol Genet Metab
127(1):51–57. https://doi.org/10.1016/J.YMGME.2019.03.005
25. Norris JL, Caprioli RM Analysis of tissue specimens by matrix-assisted laser desorption/ ionization imaging mass spectrometry in biological and clinical research. https://doi.org/10.1021/
cr3004295
4 Fundamentals of Mass Spectrometry-Based Metabolomics
5. Papadimitropoulos M-EP, Vasilopoulou CG, Maga-Nteve C, Klapa MI (2018)
Untargeted GC-MS metabolomics. Humana Press, New York, pp 133–147. https://doi.
org/10.1007/978-1-4939-7643-0_9
6. Zhou B, Xiao JF, Tuli L, Ressom HW (2012) LC-MS-based metabolomics. Mol BioSyst
8(2):470. https://doi.org/10.1039/C1MB05350G
7. Dueñas ME, Larson EA, Lee YJ (2019) Toward mass spectrometry imaging in the metabolomics scale: increasing metabolic coverage through multiple on-tissue chemical modifications.
Front Plant Sci 10(860). https://doi.org/10.3389/fpls.2019.00860
8. Emwas A-H, Roy R, McKay RT, Tenori L, Saccenti E, Gowda GAN, Raftery D, Alahmari
F, Jaremko L, Jaremko M et al (2019) NMR spectroscopy for metabolomics research. Meta
9(7):123. https://doi.org/10.3390/metabo9070123
9. Schrimpe-Rutledge AC, Codreanu SG, Sherrod SD, McLean JA (2016) Untargeted
metabolomics strategies—challenges and emerging directions. J Am Soc Mass Spectrom
27(12):1897–1905. https://doi.org/10.1007/s13361-016-1469-y
10. Gray WR (1967) Dansyl Chloride Procedure. Methods Enzymol 11(C):139–151. https://doi.
org/10.1016/S0076-6879(67)11014-8
11. Vinayavekhin N, Saghatelian A Untargeted metabolomics. In: Current protocols in molecular
biology. Wiley, Hoboken, p 2010. https://doi.org/10.1002/0471142727.mb3001s90
12. Enders JR, McIntire GL (2015) A dilute-and-shoot LC-MS method for quantitating opioids in
Oral fluid. J Anal Toxicol 39(8):662–667. https://doi.org/10.1093/jat/bkv087
13. Ser Z, Liu X, Tang NN, Locasale JW (2015) Extraction parameters for metabolomics from
cultured cells. Anal Biochem 475:22–28. https://doi.org/10.1016/j.ab.2015.01.003
14. Boyd RK (1993) Quantitative trace analysis by combined chromatography and mass spectrometry using external and internal standards. Rapid Commun Mass Spectrom:257–271. https://
doi.org/10.1002/rcm.1290070402
15. Roberts LD, Souza AL, Gerszten RE, Clish CB Targeted Metabolomics. Curr Protoc Mol Biol
2012:1. (SUPPL.98. https://doi.org/10.1002/0471142727.mb3002s98
16. Dunn WB, Ellis DI (2005) Metabolomics: current analytical platforms and methodologies.
TrAC Trends Anal Chem 24(4):285–294. https://doi.org/10.1016/j.trac.2004.11.021
17. Cajka T, Fiehn O (2014) Comprehensive analysis of lipids in biological systems by liquid chromatography- mass spectrometry. TrAC Trends Anal Chem:192–206. https://doi.
org/10.1016/j.trac.2014.04.017
18. Jiang L, He L, Fountoulakis M (2004) Comparison of protein precipitation methods for sample preparation prior to proteomic analysis. J Chromatogr A 1023(2):317–320. https://doi.
org/10.1016/j.chroma.2003.10.029
19. Folch J, Lees M, Sloane GH (2019) A simple method for the isolation and purification of total
Lipides from animal tissues* Downloaded From; 2019
20. Bligh EG, Dyer WJ A rapid method of total lipid extraction and purification
21. Gutierrez DB, Gant-Branum RL, Romer CE, Farrow MA, Allen JL, Dahal N, Nei YW,
Codreanu SG, Jordan AT, Palmer LD et al (2018) An integrated, high-throughput strategy for
Multiomic systems level analysis. J Proteome Res 17(10):3396–3408. https://doi.org/10.1021/
acs.jproteome.8b00302
22. Gertsman I, Barshop BA (2018) Promises and pitfalls of untargeted metabolomics. J Inherit
Metab Dis:355–366. https://doi.org/10.1007/s10545-017-0130-7
23. Broadhurst D, Goodacre R, Reinke SN, Kuligowski J, Wilson ID, Lewis MR, Dunn WB (2018)
Guidelines and considerations for the use of system suitability and quality control samples in
mass spectrometry assays applied in untargeted clinical Metabolomic studies. Metabolomics.
https://doi.org/10.1007/s11306-018-1367-3
24. Haijes HA, van der Ham M, Gerrits J, van Hasselt PM, Prinsen HCMT, de Sain-van der Velden
MGM, Verhoeven-Duif NM, Jans JJM (2019) Direct-infusion based metabolomics unveils
biochemical profiles of inborn errors of metabolism in cerebrospinal fluid. Mol Genet Metab
127(1):51–57. https://doi.org/10.1016/J.YMGME.2019.03.005
25. Norris JL, Caprioli RM Analysis of tissue specimens by matrix-assisted laser desorption/ ionization imaging mass spectrometry in biological and clinical research. https://doi.org/10.1021/
cr3004295
4 Fundamentals of Mass Spectrometry-Based Metabolomics