Summary of Study ST000437

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 PR000337. The data can be accessed directly via it's Project DOI: 10.21228/M8S896 This work is supported by NIH grant, U2C- DK119886.

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Study IDST000437
Study TitleMetabolomic analysis of human plasma samples spiked with unknown chemicals
Study TypeUntargeted metabolomics for sample classification
Study SummaryTo conduct metabolomic studies comparing 20 males and 20 females as well as 10 pool controls and 5 spike-in samples using MS platform to perform both qualitative and quantitative metabolome analysis to classify the sample groups (male, female, pooled) and to identify the spiked-in compounds.
Institute
University of Minnesota
DepartmentDepartment of Food Science and Nutrition
LaboratoryNutritional Metabolomics
Last NameChen
First NameChi
Address1334 Eckles Ave W, St Paul, MN 55108
Emailchichen@umn.edu
Phone612-624-7704
Submit Date2016-06-29
Num Groups4
Total Subjects55
Num Males20
Num Females20
Raw Data AvailableYes
Raw Data File Type(s)raw(Waters)
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2024-12-31
Release Version1
Chi Chen Chi Chen
https://dx.doi.org/10.21228/M8S896
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000337
Project DOI:doi: 10.21228/M8S896
Project Title:Ring trial in CHEAR untargeted resource
Project Summary:To conduct metabolomic studies comparing 20 males and 20 females as well as 10 pool controls and 5 spike-in samples using the extraction methods, MS or NMR platforms these laboratories deem best suited to fulfill the comparative aims of the trial with respect to qualitative metabolome analysis, quantitative differences between study groups, and finding, identifying and estimating quantitative differences in the spiked-in samples.
Institute:University of Minnesota
Department:Department of Food Science and Nutrition
Laboratory:Nutritional Metabolomics
Last Name:Chen
First Name:Chi
Address:1334 Eckles Ave W, St Paul, MN 55108
Email:chichen@umn.edu
Phone:612-624-7704
Funding Source:NIEHS

Subject:

Subject ID:SU000458
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:male and female
Species Group:Mammals

Factors:

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

mb_sample_id local_sample_id Sample type
SA021980std4Spiked
SA021981std5Spiked
SA021982Std2Spiked
SA021983Std1Spiked
SA021984std3Spiked
SA021985S031Unknown
SA021986S027Unknown
SA021987S028Unknown
SA021988S020Unknown
SA021989S013Unknown
SA021990S001Unknown
SA021991S009Unknown
SA021992S016Unknown
SA021993S002Unknown
SA021994S008Unknown
SA021995S043Unknown
SA021996S035Unknown
SA021997S038Unknown
SA021998S014Unknown
SA021999S041Unknown
SA022000S015Unknown
SA022001S023Unknown
SA022002S044Unknown
SA022003S021Unknown
SA022004S047Unknown
SA022005S003Unknown
SA022006S004Unknown
SA022007S005Unknown
SA022008S037Unknown
SA022009S024Unknown
SA022010S045Unknown
SA022011S042Unknown
SA022012S046Unknown
SA022013S007Unknown
SA022014S010Unknown
SA022015S029Unknown
SA022016S036Unknown
SA022017S048Unknown
SA022018S034Unknown
SA022019S049Unknown
SA022020S050Unknown
SA022021S040Unknown
SA022022S022Unknown
SA022023S033Unknown
SA022024S032Unknown
SA022025S012Unknown
SA022026S039Unknown
SA022027S030Unknown
SA022028S025Unknown
SA022029S026Unknown
SA022030S017Unknown
SA022031S019Unknown
SA022032S018Unknown
SA022033S006Unknown
SA022034S011Unknown
Showing results 1 to 55 of 55

Collection:

Collection ID:CO000452
Collection Summary:Human Plasma collected and processed by BioreclamationIVT (Catalog No. HMPLLIHP) supplemented with blinded spiked-in standards as determined by PENN STATE in consultation with National Institute of Standards and Technology and the advisory board for the NIH Regional Comprehensive Metabolomics Resource Cores.
Sample Type:Plasma

Treatment:

Treatment ID:TR000472
Treatment Summary:10 pooled plasma samples prepared by combining equal amounts of aliquots of each male and each female sample. 5 plasma samples supplemented with blinded spiked-in standards.

Sample Preparation:

Sampleprep ID:SP000465
Sampleprep Summary:Human plasma samples were thawed on ice. Aliquots of 50 uL plasma samples were mixed with 500uL of 66% acetonitrile in water. The mixture was vortexed at 3000rpm for 30s, and centrifuged at 21,000 × g at 4 oC for 10 min. An aliquot of 200 uL supernatant was transferred to HPLC vials and analyzed by LC/MS.
Processing Method:Extraction, vortex, centrifugation
Processing Storage Conditions:On ice
Extraction Method:66% acetontrile in water
Extract Storage:- 20 C

Combined analysis:

Analysis ID AN000687 AN000688
Analysis type MS MS
Chromatography type HILIC Reversed phase
Chromatography system Waters Acquity Waters Acquity
Column Waters Acquity UPLC BEH amide,(100 x 2.1mm,1.7um,100 Å) Waters ACQUITY UPLC BEH C8
MS Type ESI ESI
MS instrument type QTOF QTOF
MS instrument name Waters Xevo-G2-S Waters Xevo-G2-S
Ion Mode POSITIVE POSITIVE
Units peak area nM

Chromatography:

Chromatography ID:CH000499
Chromatography Summary:Untargeted method for spiked compounds
Instrument Name:Waters Acquity
Column Name:Waters Acquity UPLC BEH amide,(100 x 2.1mm,1.7um,100 Å)
Column Pressure:15000psi (Max)
Column Temperature:40 C
Flow Gradient:0-0.5min-99.5%B, 0.5-2min-gradient to 80%B, 2-8min-gradient to 50%B, 8-9min-50%B, 9-9.1min-99.5%B, 9-10min-99.5%B
Flow Rate:0.5mL/min
Sample Injection:5 uL
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Analytical Time:10min
Weak Wash Solvent Name:50% methanol in water
Weak Wash Volume:500 uL
Strong Wash Solvent Name:50% isopropanol, 25% acetonitrile and 25% water
Strong Wash Volume:500 uL
Sample Loop Size:20 uL
Chromatography Type:HILIC
  
Chromatography ID:CH000500
Chromatography Summary:Targeted method for sample classification
Instrument Name:Waters Acquity
Column Name:Waters ACQUITY UPLC BEH C8
Column Temperature:60 C
Flow Gradient:0-0.5min-0.5%B, 0.5-4min gradient to 60%B, 4-8min gradient to 100%B, 8-9min-100%B, 9-9.2min gradient to 0.5%B, 9.2-10min-0.5%B
Flow Rate:0.5mL/min
Sample Injection:5 uL
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Weak Wash Solvent Name:50% methanol in water
Weak Wash Volume:500 uL
Strong Wash Solvent Name:50% isopropanol, 25% acetonitrile and 25% water
Strong Wash Volume:500 uL
Sample Loop Size:20 uL
Chromatography Type:Reversed phase

MS:

MS ID:MS000613
Analysis ID:AN000687
Instrument Name:Waters Xevo-G2-S
Instrument Type:QTOF
MS Type:ESI
Ion Mode:POSITIVE
Mass Accuracy:<5 ppm
  
MS ID:MS000614
Analysis ID:AN000688
Instrument Name:Waters Xevo-G2-S
Instrument Type:QTOF
MS Type:ESI
Ion Mode:POSITIVE
Mass Accuracy:<5 ppm
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