Summary of Study ST000933

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 PR000645. The data can be accessed directly via it's Project DOI: 10.21228/M8997F 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 IDST000933
Study TitleEvaluating lipid mediator structural complexity using ion mobility spectrometry combined with mass spectrometry
Study TypeIMS-MS
Study SummaryLipid structural analysis
Institute
Pacific Northwest National Laboratory
DepartmentIntegrative Omics
Last NameBaker
First NameErin
AddressPacific Northwest National Laboratory 902 Battelle Boulevard Richland, WA
Emailerin.baker@pnnl.gov
Phone5093716219
Submit Date2018-02-15
Study Comments300 samples. Number of groups: Not available
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailMS(Dir. Inf.)
Release Date2018-04-10
Release Version1
Erin Baker Erin Baker
https://dx.doi.org/10.21228/M8997F
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000645
Project DOI:doi: 10.21228/M8997F
Project Title:Evaluating lipid mediator structural complexity using ion mobility spectrometry combined with mass spectrometry
Project Type:Structural analysis of lipid mediators using ion mobility
Project Summary:Standards of lipid mediators were analyzed with Agilent 6560 Ion mobility QTOF MS platform to find Collision Cross Section values. All measurements were performed in triplicate in both positive and negative polarities with nitrogen gas and at seven different electric fields, so that values could be directly measured and random standard deviations (RSD) assessed for each molecule.
Institute:Pacific Northwest National Laboratory
Department:Integrative Omics
Laboratory:Pacific Northwest National Laboratory
Last Name:Baker
First Name:Erin
Address:Pacific Northwest National Laboratory 902 Battelle Boulevard Richland, WA
Email:erin.baker@pnnl.gov
Phone:509-371-6219

Subject:

Subject ID:SU000972
Subject Type:Synthetic
Subject Species:None

Factors:

Subject type: Synthetic; Subject species: None (Factor headings shown in green)

mb_sample_id local_sample_id Sample Type
SA055566Resolvin D2Standard
SA055567Thromboxane B2Standard
SA055568Resolvin D1Standard
SA055569Leukotriene E4Standard
SA055570Leukotriene D4Standard
SA0555716-keto Prostaglandin F1αStandard
SA055572Thromboxane B3Standard
SA0555738-iso-Prostaglandin F2αStandard
SA0555747R Maresin-1Standard
SA0555757S Maresin-1Standard
SA055576Prostaglandin G2Standard
SA055577Leukotriene C4Standard
SA055578Lyso PC 13:0Standard
SA055579Lyso PC 19:0Standard
SA055580C17-02:0 PCStandard
SA055581C18-02:0 PCStandard
SA055582Lyso PC 24:0Standard
SA05558316:0-02:0 PCStandard
SA05558418:0 Lyso PCStandard
SA055585Lyso PC 14:0Standard
SA055586Lyso PC(P-18:0)Standard
SA055587Lyso PC 18:1Standard
SA055588PC(16:0e/2:0)Standard
SA0555898-iso-15R-Prostaglandin F2αStandard
SA0555905-iPF2α-VIStandard
SA05559112R-HETEStandard
SA0555928S-HETEStandard
SA05559312S-HETEStandard
SA0555948(9)-EETStandard
SA05559511(12)-EETStandard
SA0555965S-HETEStandard
SA055597ω-3 Arachidonic AcidStandard
SA0555989-OxoODEStandard
SA05559913-HODEStandard
SA0556009-HODEStandard
SA055601Arachidonic Acid (C20:4)Standard
SA05560214(15)-EETStandard
SA055603Leukotriene B4Standard
SA055604Prostaglandin I2Standard
SA055605Prostaglandin D2Standard
SA05560611β-Prostaglandin F2αStandard
SA05560715(R)-Prostaglandin F2αStandard
SA055608Prostaglandin F2αStandard
SA055609Prostaglandin H2Standard
SA055610Prostaglandin E2Standard
SA05561114(S)-HDHAStandard
SA05561217(S)-HDHAStandard
SA055613Carbocyclic Thromboxane A2Standard
SA055614Lipoxin A4Standard
SA05561513-OxoODEStandard
Showing results 1 to 50 of 50

Collection:

Collection ID:CO000966
Collection Summary:None
Sample Type:Synthetic Mixture

Treatment:

Treatment ID:TR000986
Treatment Summary:None

Sample Preparation:

Sampleprep ID:SP000979
Sampleprep Summary:Approximately 1 mg of each standard was weighed out in a glass vial and dissolved in 1 mL of solvent. This highly concentrated solution was then diluted with solvent to a 500 µM stock solution. A final solution concentration of 1 0µM was prepared by diluting the 500 µM solution with 80:20 methanol:water and 0.1% formic acid

Combined analysis:

Analysis ID AN001529 AN001530
Analysis type MS MS
Chromatography type None (Direct infusion) None (Direct infusion)
Chromatography system None None
Column none none
MS Type ESI ESI
MS instrument type QTOF QTOF
MS instrument name Agilent 6560 Ion Mobility Agilent 6560 Ion Mobility
Ion Mode POSITIVE NEGATIVE
Units

Chromatography:

Chromatography ID:CH001077
Chromatography Summary:Direct inject with ESI (No Chromatography)
Instrument Name:None
Column Name:none
Chromatography Type:None (Direct infusion)

MS:

MS ID:MS001409
Analysis ID:AN001529
Instrument Name:Agilent 6560 Ion Mobility
Instrument Type:QTOF
MS Type:ESI
Ion Mode:POSITIVE
  
MS ID:MS001410
Analysis ID:AN001530
Instrument Name:Agilent 6560 Ion Mobility
Instrument Type:QTOF
MS Type:ESI
Ion Mode:NEGATIVE
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