Summary of Study ST002977

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001853. The data can be accessed directly via it's Project DOI: 10.21228/M86B06 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002977
Study TitleOffline Two-dimensional Liquid Chromatography-Mass Spectrometry for Deep Annotation of the Fecal Metabolome following Fecal Microbiota Transplant
Study SummaryIn this study, we describe a novel experimental strategy using multidimensional chromatography to facilitate compound identification in untargeted metabolomics. Pooled fecal metabolite extract samples were fractionated using an offline semi-preparative liquid chromatography. The resulting fractions were analyzed by an orthogonal LC-MS/MS method, and the data were searched against commercial, public and local spectral libraries. Multidimensional chromatography yielded more than a 3-fold improvement in identified compounds compared to the typical single-dimensional LC-MS/MS approach, and successfully identified several rare and novel compounds including atypical conjugated bile acid species. Most features identified by the new approach could be matched to features that were detectable, but not identifiable, in the original single-dimensional data. An evaluation of this approach in the context of patients with recurrent Clostridioides difficile infection receiving fecal microbiota transplants is also included. Overall, our approach represents a powerful strategy for deeper annotation of the metabolome that can be implemented with common commercially-available instrumentation, and should be applicable to any dataset requiring deeper annotation of the metabolome.
Institute
University of Michigan
DepartmentMichigan Compound Identification Development Core
Last NameAnderson
First NameBrady
Address1000 Wall St, Ann Arbor, MI 48105
Emailanderbra@umich.edu
Phone734-232-8177
Submit Date2023-06-02
Num Groups2
Total Subjects8
PublicationsPublication to come later
Raw Data AvailableYes
Raw Data File Type(s)mzML, raw(Thermo)
Analysis Type DetailLC-MS
Release Date2024-03-11
Release Version1
Brady Anderson Brady Anderson
https://dx.doi.org/10.21228/M86B06
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Concentration FMT Sample type
SA323263HILIC_R4_Post_FMT_Neg0.5x Post Fecal matter
SA323264HILIC_R8_Post_FMT_Pos0.5x Post Fecal matter
SA323265HILIC_R7_Post_FMT_Neg0.5x Post Fecal matter
SA323266HILIC_R3_Post_FMT_Pos0.5x Post Fecal matter
SA323267HILIC_R14_Post_FMT_Pos0.5x Post Fecal matter
SA323268HILIC_R13_Post_FMT_Pos0.5x Post Fecal matter
SA323269HILIC_R9_Post_FMT_Pos0.5x Post Fecal matter
SA323270HILIC_R12_Post_FMT_Pos0.5x Post Fecal matter
SA323271HILIC_R3_Post_FMT_Neg0.5x Post Fecal matter
SA323272HILIC_R8_Post_FMT_Neg0.5x Post Fecal matter
SA323273HILIC_R13_Post_FMT_Neg0.5x Post Fecal matter
SA323274HILIC_R14_Post_FMT_Neg0.5x Post Fecal matter
SA323275HILIC_R12_Post_FMT_Neg0.5x Post Fecal matter
SA323276HILIC_R4_Post_FMT_Pos0.5x Post Fecal matter
SA323277HILIC_R7_Post_FMT_Pos0.5x Post Fecal matter
SA323278HILIC_R9_Post_FMT_Neg0.5x Post Fecal matter
SA323279HILIC_R12_Pre_FMT_Pos0.5x Pre Fecal matter
SA323280HILIC_R8_Pre_FMT_Pos0.5x Pre Fecal matter
SA323281HILIC_R4_Pre_FMT_Pos0.5x Pre Fecal matter
SA323282HILIC_R7_Pre_FMT_Pos0.5x Pre Fecal matter
SA323283HILIC_R9_Pre_FMT_Pos0.5x Pre Fecal matter
SA323284HILIC_R4_Pre_FMT_Neg0.5x Pre Fecal matter
SA323285HILIC_R12_Pre_FMT_Neg0.5x Pre Fecal matter
SA323286HILIC_R13_Pre_FMT_Neg0.5x Pre Fecal matter
SA323287HILIC_R14_Pre_FMT_Neg0.5x Pre Fecal matter
SA323288HILIC_R9_Pre_FMT_Neg0.5x Pre Fecal matter
SA323289HILIC_R8_Pre_FMT_Neg0.5x Pre Fecal matter
SA323290HILIC_R14_Pre_FMT_Pos0.5x Pre Fecal matter
SA323291HILIC_R3_Pre_FMT_Neg0.5x Pre Fecal matter
SA323292HILIC_R7_Pre_FMT_Neg0.5x Pre Fecal matter
SA323293HILIC_R13_Pre_FMT_Pos0.5x Pre Fecal matter
SA323294HILIC_R3_Pre_FMT_Pos0.5x Pre Fecal matter
SA323295CSH_R7_Post_FMT_Neg2x Post Fecal matter
SA323296CSH_R13_Post_FMT_Pos2x Post Fecal matter
SA323297CSH_R8_Post_FMT_Neg2x Post Fecal matter
SA323298CSH_R4_Post_FMT_Neg2x Post Fecal matter
SA323299CSH_R14_Post_FMT_Pos2x Post Fecal matter
SA323300CSH_R4_Post_FMT_Pos2x Post Fecal matter
SA323301CSH_R7_Post_FMT_Pos2x Post Fecal matter
SA323302CSH_R3_Post_FMT_Neg2x Post Fecal matter
SA323303CSH_R12_Post_FMT_Pos2x Post Fecal matter
SA323304CSH_R9_Post_FMT_Neg2x Post Fecal matter
SA323305CSH_R13_Post_FMT_Neg2x Post Fecal matter
SA323306CSH_R3_Post_FMT_Pos2x Post Fecal matter
SA323307CSH_R8_Post_FMT_Pos2x Post Fecal matter
SA323308CSH_R12_Post_FMT_Neg2x Post Fecal matter
SA323309CSH_R14_Post_FMT_Neg2x Post Fecal matter
SA323310CSH_R9_Post_FMT_Pos2x Post Fecal matter
SA323311CSH_R7_Pre_FMT_Pos2x Pre Fecal matter
SA323312CSH_R14_Pre_FMT_Pos2x Pre Fecal matter
SA323313CSH_R13_Pre_FMT_Pos2x Pre Fecal matter
SA323314CSH_R12_Pre_FMT_Pos2x Pre Fecal matter
SA323315CSH_R4_Pre_FMT_Pos2x Pre Fecal matter
SA323316CSH_R9_Pre_FMT_Pos2x Pre Fecal matter
SA323317CSH_R4_Pre_FMT_Neg2x Pre Fecal matter
SA323318CSH_R9_Pre_FMT_Neg2x Pre Fecal matter
SA323319CSH_R12_Pre_FMT_Neg2x Pre Fecal matter
SA323320CSH_R13_Pre_FMT_Neg2x Pre Fecal matter
SA323321CSH_R3_Pre_FMT_Pos2x Pre Fecal matter
SA323322CSH_R14_Pre_FMT_Neg2x Pre Fecal matter
SA323323CSH_R8_Pre_FMT_Neg2x Pre Fecal matter
SA323324CSH_R7_Pre_FMT_Neg2x Pre Fecal matter
SA323325CSH_R3_Pre_FMT_Neg2x Pre Fecal matter
SA323326CSH_R8_Pre_FMT_Pos2x Pre Fecal matter
SA323327HILIC_Blank_Neg_03N/A N/A Blank
SA323328HILIC_Blank_Neg_01N/A N/A Blank
SA323329HILIC_Blank_Neg_02N/A N/A Blank
SA323330HILIC_Blank_Pos_01N/A N/A Blank
SA323331CSH_Blank_Neg_03N/A N/A Blank
SA323332CSH_Blank_Neg_02N/A N/A Blank
SA323333CSH_Blank_Neg_01N/A N/A Blank
SA323334CSH_Blank_Pos_03N/A N/A Blank
SA323335HILIC_Blank_Pos_02N/A N/A Blank
SA323336CSH_Blank_Pos_02N/A N/A Blank
SA323337HILIC_Blank_Pos_03N/A N/A Blank
SA323338CSH_Blank_Pos_01N/A N/A Blank
Showing results 1 to 76 of 76
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