Summary of Study ST000888

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 PR000617. The data can be accessed directly via it's Project DOI: 10.21228/M8X96N 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 IDST000888
Study TitleLyme Disease Biosignature Training (95 MFs)
Study TypeMetabolomic Analysis
Study SummaryRetrospective serum samples from patients with early Lyme disease, other diseases, and healthy controls were analyzed for small molecule metabolites by liquid chromatography-mass spectrometry (LC-MS). A metabolomics data workflow was applied to select a biosignature for classifying early Lyme disease and non-Lyme disease patients. A statistical model of the biosignature was trained using the patients' LC-MS data, and subsequently applied as an experimental diagnostic tool with LC-MS data from additional patient sera.
Institute
Colorado State University
DepartmentDepartment of Microbiology, Immunology, and Pathology
LaboratoryBelisle
Last NameBelisle
First NameJohn
Address200 West Lake, Campus Delivery 0922, Colorado State University, Fort Collins, CO, 80523, USA
Emailjohn.belisle@colostate.edu
Phone970-491-5384
Submit Date2017-09-05
Num Groups9
Study CommentsAll samples and data used in training are provided. All samples and data used in testing are provided, except healthy controls that were experimentally heat treated.
Publicationshttps://doi.org/10.1093/cid/civ185
Analysis Type DetailLC-MS
Release Date2017-11-15
Release Version1
John Belisle John Belisle
https://dx.doi.org/10.21228/M8X96N
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR000617
Project DOI:doi: 10.21228/M8X96N
Project Title:Development of a Metabolic Biosignature for Detection of Early Lyme Disease
Project Type:MS Study
Project Summary:Proof-of-concept studies for a LC-MS metabolite-based biosignature that classifies early Lyme disease patients from non-Lyme disease patients through metabolomics analyses of patient sera.
Institute:Colorado State University
Department:Department of Microbiology, Immunology, and Pathology
Laboratory:Belisle
Last Name:Belisle
First Name:John
Address:200 West Lake, Campus Delivery 0922, Colorado State University, Fort Collins, CO, 80523, USA
Email:john.belisle@colostate.edu
Phone:9704915384
Funding Source:NIAID/NIH/HHS AI100228
Publications:https://doi.org/10.1093/cid/civ185

Subject:

Subject ID:SU000925
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Species Group:Mammals

Factors:

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

mb_sample_id local_sample_id Disease Status
SA051651EL-NYMC-78-Run 2bEarly Disseminated Lyme
SA051652EL-NYMC-77-Run 2bEarly Disseminated Lyme
SA051653EL-NYMC-76-Run 2bEarly Disseminated Lyme
SA051654EL-NYMC-79-Run 2bEarly Disseminated Lyme
SA051655EL-NYMC-1-Run 2aEarly Disseminated Lyme
SA051656EL-NYMC-83-Run 2bEarly Disseminated Lyme
SA051657EL-NYMC-82-Run 2bEarly Disseminated Lyme
SA051658EL-NYMC-75-Run 2bEarly Disseminated Lyme
SA051659EL-NYMC-80-Run 2bEarly Disseminated Lyme
SA051660EL-NYMC-74-Run 2bEarly Disseminated Lyme
SA051661EL-NYMC-105-Run 4Early Disseminated Lyme
SA051662EL-NYMC-104-Run 4Early Disseminated Lyme
SA051663EL-NYMC-103-Run 4Early Disseminated Lyme
SA051664EL-NYMC-70-Run 2bEarly Disseminated Lyme
SA051665EL-NYMC-71-Run 2bEarly Disseminated Lyme
SA051666EL-NYMC-73-Run 2bEarly Disseminated Lyme
SA051667EL-NYMC-72-Run 2bEarly Disseminated Lyme
SA051668EL-NYMC-84-Run 2bEarly Disseminated Lyme
SA051669EL-NYMC-85-Run 2bEarly Disseminated Lyme
SA051670EL-NYMC-97-Run 2bEarly Disseminated Lyme
SA051671EL-NYMC-96-Run 2bEarly Disseminated Lyme
SA051672EL-NYMC-95-Run 2bEarly Disseminated Lyme
SA051673EL-NYMC-98-Run 2bEarly Disseminated Lyme
SA051674EL-NYMC-99-Run 2bEarly Disseminated Lyme
SA051675EL-NYMC-101-Run 2bEarly Disseminated Lyme
SA051676EL-NYMC-100-Run 2bEarly Disseminated Lyme
SA051677EL-NYMC-94-Run 2bEarly Disseminated Lyme
SA051678EL-NYMC-93-Run 2bEarly Disseminated Lyme
SA051679EL-NYMC-88-Run 2bEarly Disseminated Lyme
SA051680EL-NYMC-87-Run 2bEarly Disseminated Lyme
SA051681EL-NYMC-86-Run 2bEarly Disseminated Lyme
SA051682EL-NYMC-89-Run 2bEarly Disseminated Lyme
SA051683EL-NYMC-90-Run 2bEarly Disseminated Lyme
SA051684EL-NYMC-92-Run 2bEarly Disseminated Lyme
SA051685EL-NYMC-91-Run 2bEarly Disseminated Lyme
SA051686EL-NYMC-102-Run 4Early Disseminated Lyme
SA051687EL-NYMC-100-Run 4Early Disseminated Lyme
SA051688EL-NYMC-77-Run 4Early Disseminated Lyme
SA051689EL-NYMC-76-Run 4Early Disseminated Lyme
SA051690EL-NYMC-75-Run 4Early Disseminated Lyme
SA051691EL-NYMC-78-Run 4Early Disseminated Lyme
SA051692EL-NYMC-79-Run 4Early Disseminated Lyme
SA051693EL-NYMC-82-Run 4Early Disseminated Lyme
SA051694EL-NYMC-81-Run 4Early Disseminated Lyme
SA051695EL-NYMC-80-Run 4Early Disseminated Lyme
SA051696EL-NYMC-74-Run 4Early Disseminated Lyme
SA051697EL-NYMC-73-Run 4Early Disseminated Lyme
SA051698EL-NYMC-33-Run 1aEarly Disseminated Lyme
SA051699EL-NYMC-32-Run 1aEarly Disseminated Lyme
SA051700EL-NYMC-31-Run 1aEarly Disseminated Lyme
SA051701EL-NYMC-34-Run 1aEarly Disseminated Lyme
SA051702EL-NYMC-70-Run 4Early Disseminated Lyme
SA051703EL-NYMC-72-Run 4Early Disseminated Lyme
SA051704EL-NYMC-71-Run 4Early Disseminated Lyme
SA051705EL-NYMC-83-Run 4Early Disseminated Lyme
SA051706EL-NYMC-84-Run 4Early Disseminated Lyme
SA051707EL-NYMC-96-Run 4Early Disseminated Lyme
SA051708EL-NYMC-95-Run 4Early Disseminated Lyme
SA051709EL-NYMC-94-Run 4Early Disseminated Lyme
SA051710EL-NYMC-97-Run 4Early Disseminated Lyme
SA051711EL-NYMC-98-Run 4Early Disseminated Lyme
SA051712EL-NYMC-102-Run 2bEarly Disseminated Lyme
SA051713EL-NYMC-99-Run 4Early Disseminated Lyme
SA051714EL-NYMC-93-Run 4Early Disseminated Lyme
SA051715EL-NYMC-92-Run 4Early Disseminated Lyme
SA051716EL-NYMC-87-Run 4Early Disseminated Lyme
SA051717EL-NYMC-86-Run 4Early Disseminated Lyme
SA051718EL-NYMC-85-Run 4Early Disseminated Lyme
SA051719EL-NYMC-88-Run 4Early Disseminated Lyme
SA051720EL-NYMC-89-Run 4Early Disseminated Lyme
SA051721EL-NYMC-91-Run 4Early Disseminated Lyme
SA051722EL-NYMC-90-Run 4Early Disseminated Lyme
SA051723EL-NYMC-101-Run 4Early Disseminated Lyme
SA051724EL-NYMC-103-Run 2bEarly Disseminated Lyme
SA051725EL-NYMC-81-Run 3Early Disseminated Lyme
SA051726EL-NYMC-80-Run 3Early Disseminated Lyme
SA051727EL-NYMC-79-Run 3Early Disseminated Lyme
SA051728EL-NYMC-82-Run 3Early Disseminated Lyme
SA051729EL-NYMC-83-Run 3Early Disseminated Lyme
SA051730EL-NYMC-86-Run 3Early Disseminated Lyme
SA051731EL-NYMC-85-Run 3Early Disseminated Lyme
SA051732EL-NYMC-84-Run 3Early Disseminated Lyme
SA051733EL-NYMC-78-Run 3Early Disseminated Lyme
SA051734EL-NYMC-77-Run 3Early Disseminated Lyme
SA051735EL-NYMC-72-Run 3Early Disseminated Lyme
SA051736EL-NYMC-71-Run 3Early Disseminated Lyme
SA051737EL-NYMC-70-Run 3Early Disseminated Lyme
SA051738EL-NYMC-73-Run 3Early Disseminated Lyme
SA051739EL-NYMC-74-Run 3Early Disseminated Lyme
SA051740EL-NYMC-76-Run 3Early Disseminated Lyme
SA051741EL-NYMC-75-Run 3Early Disseminated Lyme
SA051742EL-NYMC-87-Run 3Early Disseminated Lyme
SA051743EL-NYMC-88-Run 3Early Disseminated Lyme
SA051744EL-NYMC-100-Run 3Early Disseminated Lyme
SA051745EL-NYMC-99-Run 3Early Disseminated Lyme
SA051746EL-NYMC-98-Run 3Early Disseminated Lyme
SA051747EL-NYMC-101-Run 3Early Disseminated Lyme
SA051748EL-NYMC-102-Run 3Early Disseminated Lyme
SA051749EL-NYMC-104-Run 3Early Disseminated Lyme
SA051750EL-NYMC-103-Run 3Early Disseminated Lyme
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Collection:

Collection ID:CO000919
Collection Summary:Sera from early LD patients were collected pretreatment at the initial visit to the clinic. Healthy control serum donors were from endemic and nonendemic regions for LD.
Sample Type:Blood

Treatment:

Treatment ID:TR000939
Treatment Summary:N/A

Sample Preparation:

Sampleprep ID:SP000932
Sampleprep Summary:Small molecule metabolites were extracted from aliquots (20 μL) of sera with 75% (final vol) HPLC grade methanol. An aliquot equivalent to 5 μL of serum was analyzed by LC-MS.
Sampleprep Protocol Comments:doi:10.1038/nprot.2011.335

Combined analysis:

Analysis ID AN001450
Analysis type MS
Chromatography type Reversed phase
Chromatography system Agilent 1200
Column Poroshell 120,EC-C8(100 x 2.1mm,2.5um)
MS Type ESI
MS instrument type QTOF
MS instrument name Agilent 6520 QTOF
Ion Mode POSITIVE
Units peak area

Chromatography:

Chromatography ID:CH001019
Instrument Name:Agilent 1200
Column Name:Poroshell 120,EC-C8(100 x 2.1mm,2.5um)
Flow Gradient:0-100% non-linear gradient
Flow Rate:0.35 ml/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% methanol; 0.1% formic acid
Chromatography Type:Reversed phase

MS:

MS ID:MS001340
Analysis ID:AN001450
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
MS Type:ESI
Ion Mode:POSITIVE
Capillary Voltage:2000 V
Dry Gas Flow:8 l/min
Dry Gas Temp:300
Fragment Voltage:120 V
Nebulizer:45 psi
Octpole Voltage:750 V
Scanning Cycle:666.7 spectra/s
Scanning Range:115 - 1500 Da
Skimmer Voltage:60 V
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