4.8 Article

Enhancing untargeted metabolomics using metadata-based source annotation

期刊

NATURE BIOTECHNOLOGY
卷 40, 期 12, 页码 1774-U20

出版社

NATURE PORTFOLIO
DOI: 10.1038/s41587-022-01368-1

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资金

  1. Crohn's & Colitis foundation [675191, U19 AG063744 01, R01AG061066, 1 DP1 AT010885, P30 DK120515]
  2. Office of Naval Research MURI [N00014-15-1-2809]
  3. NIH/NCATS Colorado CTSA Grant [UL1TR002535]
  4. Emch Fund
  5. CD Fund
  6. Chancellor's Initiative in the Microbiome and Microbial Sciences
  7. Center for Microbiome Innovation at UCSD
  8. SD IRACDA [5K12GM06852417]
  9. USDA-NIFA [2019-67013-29137]
  10. Einstein Institute GOLD project [R01MD011389]
  11. Krupp Endowed Fund
  12. NIH/NIAMS [AR060772, AR075990]
  13. Danone Nutricia Research
  14. UCSD Rheumatic Diseases Research Training Grant from the NIH/NIAMS [T32AR064194]
  15. UCSD training grant from the NIH/NIDDK Gastroenterology Training Program [T32 DK007202]
  16. Brazilian National Council for Scientific and Technological Development (CNPq)-Brazil [245954/2012]
  17. FAPESP [2014/50265-3]
  18. NIH/NHLBI Training Grant [NIH T32 HL149646]
  19. PROMOS fund (DAAD)
  20. NIH [DP2 AT010401-01]
  21. National Institute on Aging [1U01AG061359-01, R01AG046171, RF1 AG0151550]
  22. NIA [1RF1AG058942-01, 3U01 AG024904-09S4]
  23. National Institutes of Health [U01 AG024904]
  24. National Institute on Aging
  25. National Institute of Biomedical Imaging and Bioengineering
  26. AbbVie
  27. Alzheimer's Association
  28. Alzheimer's Drug Discovery Foundation
  29. Araclon Biotech
  30. BioClinica, Inc.
  31. Biogen
  32. Bristol-Myers Squibb Company
  33. CereSpir, Inc.
  34. Cogstate
  35. Eisai Inc.
  36. Elan Pharmaceuticals, Inc.
  37. Eli Lilly and Company
  38. EuroImmun
  39. F. Hoffmann-La Roche Ltd
  40. Genentech, Inc.
  41. Fujirebio
  42. GE Healthcare
  43. IXICO Ltd
  44. Janssen Alzheimer Immunotherapy Research & Development, LLC
  45. Johnson & Johnson Pharmaceutical Research & Development LLC
  46. Lumosity
  47. Lundbeck
  48. Merck Co., Inc.
  49. Meso Scale Diagnostics, LLC
  50. NeuroRx Research
  51. Neurotrack Technologies
  52. Novartis Pharmaceuticals Corporation
  53. Pfizer Inc.
  54. Piramal Imaging
  55. Servier
  56. Takeda Pharmaceutical Company
  57. Transition Therapeutics
  58. Canadian Institutes of Health Research
  59. UCSD Academic Senate Research/Bridge Grant
  60. Eunice Kennedy Shriver National Institute of Child Health and Human Development [K12-HD000850]

向作者/读者索取更多资源

This study introduces a reference-data-driven analysis approach to increase the usage of metabolomics MS/MS data and enable empirical evaluation of dietary patterns from untargeted data.
Human untargeted metabolomics studies annotate only similar to 10% of molecular features. We introduce reference-data-driven analysis to match metabolomics tandem mass spectrometry (MS/MS) data against metadata-annotated source data as a pseudo-MS/MS reference library. Applying this approach to food source data, we show that it increases MS/MS spectral usage 5.1-fold over conventional structural MS/MS library matches and allows empirical assessment of dietary patterns from untargeted data.

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