Mass-spectrometry-based metabolomics analysis for foodomics

Abstract Mass spectrometry (MS) has gained popularity in metabolomics due to its unparalleled sensitivity and specificity, high resolution and wide dynamic range. MS-based metabolomics techniques have driven the emergence of a new omics sub-discipline – foodomics. In this review, we present the current state of MS-based metabolomics and typical applications in food science related to food composition, food safety, quality, nutrition and health.

[1]  Koichi Inoue,et al.  Development of liquid chromatography-electrospray mass spectrometry for the determination of patulin in apple juice: investigation of its contamination levels in Japan. , 2004, Journal of agricultural and food chemistry.

[2]  Francesco Capozzi,et al.  Foodomics: a new comprehensive approach to food and nutrition , 2012, Genes & Nutrition.

[3]  Kazuki Saito,et al.  GC-TOF-MS- and CE-TOF-MS-based metabolic profiling of cheonggukjang (fast-fermented bean paste) during fermentation and its correlation with metabolic pathways. , 2012, Journal of agricultural and food chemistry.

[4]  F. Sarkar,et al.  Metabolomics in cancer: a bench-to-bedside intersection. , 2012, Critical reviews in oncology/hematology.

[5]  K. Atherton Safety assessment of genetically modified crops. , 2002, Toxicology.

[6]  Y. Sago,et al.  Detection of a new Fusarium masked mycotoxin in wheat grain by high-resolution LC–Orbitrap™ MS , 2011, Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment.

[7]  C. Lebrilla,et al.  Daily variations in oligosaccharides of human milk determined by microfluidic chips and mass spectrometry. , 2008, Journal of agricultural and food chemistry.

[8]  K. Siu,et al.  Atmospheric pressure chemical ionization and electrospray mass spectrometry of some organoarsenic species. , 1988, Rapid communications in mass spectrometry : RCM.

[9]  Raoul J. Bino,et al.  A Liquid Chromatography-Mass Spectrometry-Based Metabolome Database for Tomato1 , 2006, Plant Physiology.

[10]  G. Gall,et al.  Discrimination between orange juice and pulp wash by (1)H Nuclear Magnetic Resonance spectroscopy: identification of marker compounds. , 2001, Journal of agricultural and food chemistry.

[11]  D. Larsson,et al.  Contributions from metabolomics to fish research. , 2008, Molecular bioSystems.

[12]  J. German,et al.  Metabolomics for assessment of nutritional status , 2009, Current opinion in clinical nutrition and metabolic care.

[13]  P. Christen,et al.  Multi-targeted screening of botanicals in food supplements by liquid chromatography with tandem mass spectrometry. , 2013, Food chemistry.

[14]  G. Siuzdak,et al.  Innovation: Metabolomics: the apogee of the omics trilogy , 2012, Nature Reviews Molecular Cell Biology.

[15]  Martin Kussmann,et al.  OMICS-driven biomarker discovery in nutrition and health. , 2006, Journal of biotechnology.

[16]  F. Tomás-Barberán,et al.  Liquid chromatography-tandem mass spectrometry reveals the widespread occurrence of flavonoid glycosides in honey, and their potential as floral origin markers. , 2009, Journal of chromatography. A.

[17]  Lorraine Brennan,et al.  Metabolomics in nutrition research: current status and perspectives. , 2013, Biochemical Society transactions.

[18]  Benito Cañas,et al.  Mass spectrometry technologies for proteomics. , 2006, Briefings in functional genomics & proteomics.

[19]  J. Haselden,et al.  Metabolic Profiling as a Tool for Understanding Mechanisms of Toxicity , 2008, Toxicologic pathology.

[20]  W. Lindner,et al.  Quantitative LC-ESI-MS/MS metabolic profiling method for fatty acids and lipophilic metabolites in fermentation broths from β-lactam antibiotics production , 2010, Analytical and bioanalytical chemistry.

[21]  C. Zambonin,et al.  Detection of sheep and goat milk adulterations by direct MALDI-TOF MS analysis of milk tryptic digests. , 2012, Journal of mass spectrometry : JMS.

[22]  D. Barceló,et al.  Analysis of emerging contaminants in food , 2013 .

[23]  H. Komura,et al.  Different beers with different hops. Relevant compounds for their aroma characteristics. , 2013, Journal of agricultural and food chemistry.

[24]  A. Segura‐Carretero,et al.  Comparative metabolomic study of transgenic versus conventional soybean using capillary electrophoresis-time-of-flight mass spectrometry. , 2008, Journal of chromatography. A.

[25]  Jentaie Shiea,et al.  Detecting large biomolecules from high-salt solutions by fused-droplet electrospray ionization mass spectrometry. , 2002, Analytical chemistry.

[26]  K. Lemr,et al.  Capillary electrophoresis‐mass spectrometry – a fast and reliable tool for the monitoring of milk adulteration , 2008, Electrophoresis.

[27]  A. Kelly,et al.  Use of mass spectrometry to characterize proteolysis in cheese , 2007 .

[28]  A. Cifuentes Food analysis and foodomics. , 2009, Journal of chromatography. A.

[29]  O. Fiehn,et al.  Mass spectrometry-based metabolic profiling reveals different metabolite patterns in invasive ovarian carcinomas and ovarian borderline tumors. , 2006, Cancer research.

[30]  O. Fiehn,et al.  Metabolite profiling for plant functional genomics , 2000, Nature Biotechnology.

[31]  A. Fernández-Alba,et al.  Development and validation of a LC–MS/MS method for the simultaneous determination of aflatoxins, dyes and pesticides in spices , 2010, Analytical and bioanalytical chemistry.

[32]  E. Ibáñez,et al.  Foodomics: MS-based strategies in modern food science and nutrition. , 2012, Mass spectrometry reviews.

[33]  E. Gomès,et al.  Metabolic profiling reveals coordinated switches in primary carbohydrate metabolism in grape berry (Vitis vinifera L.), a non-climacteric fleshy fruit , 2013, Journal of experimental botany.

[34]  S. Zeisel Nutrigenomics and metabolomics will change clinical nutrition and public health practice: insights from studies on dietary requirements for choline. , 2007, The American journal of clinical nutrition.

[35]  T. Nakahara,et al.  Liquid chromatography/mass spectrometric determination of patulin in apple juice using atmospheric pressure photoionization. , 2003, Rapid communications in mass spectrometry : RCM.

[36]  D. Wishart Metabolomics: applications to food science and nutrition research , 2008 .

[37]  Christian Baumgartner,et al.  Bioinformatic-driven search for metabolic biomarkers in disease , 2011, Journal of Clinical Bioinformatics.

[38]  Nigel W. Hardy,et al.  Hierarchical metabolomics demonstrates substantial compositional similarity between genetically modified and conventional potato crops. , 2005, Proceedings of the National Academy of Sciences of the United States of America.

[39]  J. Domingo,et al.  A literature review on the safety assessment of genetically modified plants. , 2011, Environment international.

[40]  J. Antignac,et al.  Mass spectrometry-based metabolomics applied to the chemical safety of food , 2011 .

[41]  Jean-Michel Kauffmann,et al.  Foodomics platform for the assay of thiols in wines with fluorescence derivatization and ultra performance liquid chromatography mass spectrometry using multivariate statistical analysis. , 2013, Journal of agricultural and food chemistry.

[42]  K. Niehaus,et al.  Metabolite fingerprinting of barley whole seeds, endosperms, and embryos during industrial malting. , 2012, Journal of biotechnology.

[43]  Hannelore Daniel,et al.  Alterations in hepatic one-carbon metabolism and related pathways following a high-fat dietary intervention. , 2011, Physiological genomics.

[44]  A. Pintea,et al.  In-tube extraction and GC-MS analysis of volatile components from wild and cultivated sea buckthorn (Hippophae rhamnoides L. ssp. Carpatica) berry varieties and juice. , 2013, Phytochemical analysis : PCA.

[45]  S. Fu,et al.  A sensitive gas chromatography-mass spectrometry method for the determination of patulin in apple juice. , 2012, Journal of AOAC International.

[46]  R. Sinha,et al.  Urinary Biomarkers of Meat Consumption , 2011, Cancer Epidemiology, Biomarkers & Prevention.

[47]  K. Magnus Åberg,et al.  A concept study on non-targeted screening for chemical contaminants in food using liquid chromatography–mass spectrometry in combination with a metabolomics approach , 2012, Analytical and Bioanalytical Chemistry.

[48]  R. Goodacre,et al.  Detection and quantification of bacterial spoilage in milk and pork meat using MALDI-TOF-MS and multivariate analysis. , 2012, Analytical chemistry.

[49]  S. Primrose,et al.  Metabolomics and human nutrition , 2011, British Journal of Nutrition.

[50]  A Spyros,et al.  Application of (31)P NMR spectroscopy in food analysis. 1. Quantitative determination of the mono- and diglyceride composition of olive oils. , 2000, Journal of agricultural and food chemistry.

[51]  C. Lebrilla,et al.  Rapid Profiling of Bovine and Human Milk Gangliosides by Matrix-Assisted Laser Desorption/Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. , 2011, International journal of mass spectrometry.

[52]  W. Lindner,et al.  Metabolic profiling of intracellular metabolites in fermentation broths from beta-lactam antibiotics production by liquid chromatography-tandem mass spectrometry methods. , 2010, Journal of chromatography. A.

[53]  T. Kishimoto,et al.  Analysis of hop-derived terpenoids in beer and evaluation of their behavior using the stir bar-sorptive extraction method with GC-MS. , 2005, Journal of agricultural and food chemistry.

[54]  Rudolf Grimm,et al.  A strategy for annotating the human milk glycome. , 2006, Journal of agricultural and food chemistry.

[55]  Andreas Zell,et al.  Preanalytical aspects and sample quality assessment in metabolomics studies of human blood. , 2013, Clinical chemistry.

[56]  Joachim Franzke,et al.  Simultaneous testing of multiclass organic contaminants in food and environment by liquid chromatography/dielectric barrier discharge ionization-mass spectrometry. , 2012, The Analyst.

[57]  T. Hankemeier,et al.  Metabolomics-based systems biology and personalized medicine: moving towards n = 1 clinical trials? , 2006, Pharmacogenomics.

[58]  A. Hoffmann,et al.  Determination of stale-flavor carbonyl compounds in beer by stir bar sorptive extraction with in-situ derivatization and thermal desorption-gas chromatography-mass spectrometry. , 2003, Journal of chromatography. A.

[59]  E. Ibáñez,et al.  MS-based analytical methodologies to characterize genetically modified crops. , 2011, Mass spectrometry reviews.

[60]  A. Cornu,et al.  Tanker milk variability according to farm feeding practices: vitamins A and E, carotenoids, color, and terpenoids. , 2007, Journal of dairy science.

[61]  J. Wirth,et al.  Metabolomics and food processing: from semolina to pasta. , 2011, Journal of agricultural and food chemistry.

[62]  Toshiyuki Suzuki,et al.  LC-MS/MS Analysis of Diarrhetic Shellfish Poisoning (DSP) Toxins, Okadaic Acid and Dinophysistoxin Analogues, and Other Lipophilic Toxins , 2011, Analytical sciences : the international journal of the Japan Society for Analytical Chemistry.

[63]  Eiichiro Fukusaki,et al.  High-throughput technique for comprehensive analysis of Japanese green tea quality assessment using ultra-performance liquid chromatography with time-of-flight mass spectrometry (UPLC/TOF MS). , 2008, Journal of agricultural and food chemistry.

[64]  A. Cifuentes,et al.  CE‐MS of zein proteins from conventional and transgenic maize , 2007, Electrophoresis.

[65]  Rafael Llorach,et al.  An LC-MS-based metabolomics approach for exploring urinary metabolome modifications after cocoa consumption. , 2009, Journal of proteome research.

[66]  E. Fukusaki,et al.  Plant metabolomics: potential for practical operation. , 2005, Journal of bioscience and bioengineering.

[67]  R. Hall Food metabolomics: META-PHOR. A new European research initiative , 2007 .

[68]  John Draper,et al.  Representation, comparison, and interpretation of metabolome fingerprint data for total composition analysis and quality trait investigation in potato cultivars. , 2007, Journal of agricultural and food chemistry.

[69]  Antonio V. Herrera-Herrera,et al.  Determination of quinolone residues in infant and young children powdered milk combining solid-phase extraction and ultra-performance liquid chromatography-tandem mass spectrometry. , 2011, Journal of chromatography. A.

[70]  Ronald C. Beavis,et al.  Matrix-assisted laser desorption/ionization mass spectrometry of biopolymers. , 1991, Analytical chemistry.

[71]  Ruedi Aebersold,et al.  Advances in Proteome Analysis by Mass Spectrometry* , 2001, The Journal of Biological Chemistry.

[72]  F. Berthiller,et al.  Development and validation of an LC-MS/MS method for the simultaneous determination of deoxynivalenol, zearalenone, T-2-toxin and some masked metabolites in different cereals and cereal-derived food , 2012, Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment.

[73]  W. Hall,et al.  Soy-isoflavone-enriched foods and markers of lipid and glucose metabolism in postmenopausal women: interactions with genotype and equol production. , 2006, The American journal of clinical nutrition.

[74]  G. Siuzdak,et al.  The Expanding Role of Mass Spectrometry in Metabolite Profiling and Characterization , 2005, Chembiochem : a European journal of chemical biology.

[75]  Shiro Watanabe,et al.  Evaluation of the Quality of Chinese and Vietnamese Cassia Using LC-MS and Multivariate Analysis , 2013, Natural product communications.

[76]  F. Fenaille,et al.  Contribution of mass spectrometry to assess quality of milk-based products. , 2006, Mass spectrometry reviews.

[77]  M. Mann,et al.  Electrospray ionization for mass spectrometry of large biomolecules. , 1989, Science.

[78]  Antonio Segura-Carretero,et al.  Global Foodomics strategy to investigate the health benefits of dietary constituents. , 2012, Journal of chromatography. A.

[79]  Vladimir Shulaev,et al.  Metabolomics technology and bioinformatics , 2006, Briefings Bioinform..

[80]  J. Lindon,et al.  Systems biology: Metabonomics , 2008, Nature.

[81]  H. Kuiper,et al.  Safety and nutritional assessment of GM plants and derived food and feed: the role of animal feeding trials. , 2008, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

[82]  E. Perri,et al.  A metabolomic approach to the evaluation of the origin of extra virgin olive oil: a convenient statistical treatment of mass spectrometric analytical data. , 2007, Journal of agricultural and food chemistry.

[83]  I. Recio,et al.  Identification of novel angiotensin‐converting enzyme‐inhibitory peptides from ovine milk proteins by CE‐MS and chromatographic techniques , 2007, Electrophoresis.

[84]  R. Lamuela-Raventós,et al.  A metabolomic approach differentiates between conventional and organic ketchups. , 2011, Journal of agricultural and food chemistry.

[85]  Fabian J Theis,et al.  The dynamic range of the human metabolome revealed by challenges , 2012, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

[86]  A. Ricroch Assessment of GE food safety using '-omics' techniques and long-term animal feeding studies. , 2012, New biotechnology.

[87]  J. V. van Duynhoven,et al.  Metabonomics approach to determine metabolic differences between green tea and black tea consumption. , 2006, Journal of agricultural and food chemistry.

[88]  V. Lattanzio,et al.  Determination of trichothecenes in cereals and cereal-based products by liquid chromatography–tandem mass spectrometry , 2008, Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment.

[89]  Keita Saito,et al.  Determination of patulin in fruit juice and dried fruit samples by in-tube solid-phase microextraction coupled with liquid chromatography-mass spectrometry. , 2009, Journal of chromatography. A.

[90]  M. Takino,et al.  Determination of trace amounts of off-flavor compounds in drinking water by stir bar sorptive extraction and thermal desorption GC-MS. , 2001, The Analyst.

[91]  M. Wong,et al.  A metabolomic investigation of the effects of vitamin E supplementation in humans , 2012, Nutrition & Metabolism.

[92]  C. Lebrilla,et al.  Human milk glycobiome and its impact on the infant gastrointestinal microbiota , 2010, Proceedings of the National Academy of Sciences.

[93]  Xiu-Lan Chen,et al.  High throughput and rapid screening of marine protein hydrolysates enriched in peptides with angiotensin-I-converting enzyme inhibitory activity by capillary electrophoresis. , 2007, Bioresource technology.

[94]  Andrew Cockburn,et al.  Assuring the safety of genetically modified (GM) foods: the importance of an holistic, integrative approach. , 2002, Journal of biotechnology.

[95]  A. Fernie,et al.  Metabolic Profiling during Peach Fruit Development and Ripening Reveals the Metabolic Networks That Underpin Each Developmental Stage1[C][W] , 2011, Plant Physiology.

[96]  A. M. Gil,et al.  Composition of beer by 1H NMR spectroscopy: effects of brewing site and date of production. , 2006, Journal of agricultural and food chemistry.

[97]  B. Lake,et al.  Identification of human urinary biomarkers of cruciferous vegetable consumption by metabonomic profiling. , 2011, Journal of proteome research.

[98]  D. Garozzo,et al.  Identification of adulteration in milk by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. , 2001, Journal of mass spectrometry : JMS.

[99]  Apostolos Spyros,et al.  31P NMR spectroscopy in food analysis , 2009 .

[100]  R. Goodacre,et al.  MALDI-MS and multivariate analysis for the detection and quantification of different milk species , 2011, Analytical and bioanalytical chemistry.

[101]  A. González-Córdova,et al.  Capillary electrophoresis for the analysis of contaminants in emerging food safety issues and food traceability , 2010, Electrophoresis.

[102]  J. Diogène,et al.  The implementation of liquid chromatography tandem mass spectrometry for the official control of lipophilic toxins in seafood: single-laboratory validation under four chromatographic conditions. , 2013, Journal of chromatography. A.