Summary of study ST001380

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 PR000944. The data can be accessed directly via it's Project DOI: 10.21228/M8P41V 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.

Show all samples  |  Perform analysis on untargeted data  |  Download mwTab file (Text format)   |  Download mwTab file (JSON format)   |  Download data (Contains raw data)
Study IDST001380
Study TitleFast and sensitive flow-injection mass spectrometry metabolomics by analyzing sample specific ion distributions
Study SummaryMass spectrometry based metabolomics is a widely used approach in biotechnology and biomedical research. However, current methods coupling mass spectrometry with chromatography are time-consuming and not suitable for high-throughput analysis of thousands of samples. An alternative approach is flow-injection mass spectrometry (FI-MS) in which samples are directly injected to the ionization source. Here, we show that the sensitivity of Orbitrap FI-MS metabolomics methods is limited by ion competition effect in the detection system. We describe an approach for overcoming this effect by analyzing the distribution of ion m/z values and computationally determining a series of optimal scan ranges. This enables reproducible detection of ~9,000 and ~10,000 m/z features in metabolomics and lipidomics analysis of serum samples, respectively, with a sample scan time of ~15 seconds and duty time of ~30 seconds; a ~50% increase versus current spectral-stitching FI-MS. This approach facilitates high-throughput metabolomics for a variety of applications, including biomarker discovery and functional genomics screens.
Institute
Technion – Israel Institute of Technology
Last NameShlomi
First NameTomer
AddressTechnion
Emailtomersh@cs.technion.ac.il
Phone+972-77-8871497
Submit Date2020-05-17
Raw Data AvailableYes
Raw Data File Type(s).raw
Analysis Type DetailLC-MS
Release Date2020-05-22
Release Version1
Tomer Shlomi Tomer Shlomi
https://dx.doi.org/10.21228/M8P41V
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:


Project:

Project ID:PR000944
Project DOI:doi: 10.21228/M8P41V
Project Title:Fast and sensitive flow-injection mass spectrometry metabolomics by analyzing sample specific ion distributions
Project Summary:Mass spectrometry based metabolomics is a widely used approach in biotechnology and biomedical research. However, current methods coupling mass spectrometry with chromatography are time-consuming and not suitable for high-throughput analysis of thousands of samples. An alternative approach is flow-injection mass spectrometry (FI-MS) in which samples are directly injected to the ionization source. Here, we show that the sensitivity of Orbitrap FI-MS metabolomics methods is limited by ion competition effect in the detection system. We describe an approach for overcoming this effect by analyzing the distribution of ion m/z values and computationally determining a series of optimal scan ranges. This enables reproducible detection of ~9,000 and ~10,000 m/z features in metabolomics and lipidomics analysis of serum samples, respectively, with a sample scan time of ~15 seconds and duty time of ~30 seconds; a ~50% increase versus current spectral-stitching FI-MS. This approach facilitates high-throughput metabolomics for a variety of applications, including biomarker discovery and functional genomics screens.
Institute:Technion – Israel Institute of Technology
Laboratory:Prof. Tomer Shlomi Lab
Last Name:Shlomi
First Name:Tomer
Address:Technion
Email:tomersh@cs.technion.ac.il
Phone:+972-77-8871497

Subject:

Subject ID:SU001454
Subject Type:Other
Subject Species:Homo sapiens
Taxonomy ID:9606

Factors:

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

mb_sample_id local_sample_id Treatment
SA100895Blank_3Blank
SA100896Blank_4Blank
SA100897Blank_6Blank
SA100898Blank_2Blank
SA100899Blank_5Blank
SA100900Blank_1Blank
SA100901Sample_3Serum
SA100902Sample_2Serum
SA100903Sample_4Serum
SA100904Sample_5Serum
SA100905Sample_6Serum
SA100906Sample_1Serum

Collection:

Collection ID:CO001449
Collection Summary:FI-MS method optimization was performed with commercially available serum, Human AB Serum (Biological Industries USA, Inc., USA). Matrix effect experiments and biological applications were performed with 98 serum samples of healthy individuals obtained from Rambam Hospital, Haifa, Israel (IRB 0481-18-RMB).
Sample Type:Blood (serum)

Treatment:

Treatment ID:TR001469
Treatment Summary:To extract metabolites and lipids from serum samples, we mixed 20 µL of serum with an extraction solution for metabolomics analysis and 10 µL for lipidomics in 96-deep well plates. For lipidomics analysis, we utilized 100 µL of 2-propanol/methanol (6:1, v/v); and for metabolomics analysis, 100 µL of methanol/acetonitrile/water (5:3:1, v/v/v). After 10 min of vortexing, 800 rpm, precipitated proteins were separated by centrifugation for 20 min at 4 °C and 4000 rcf; supernatants were stored at -80 °C prior the analysis.

Sample Preparation:

Sampleprep ID:SP001462
Sampleprep Summary:To extract metabolites and lipids from serum samples, we mixed 20 µL of serum with an extraction solution for metabolomics analysis and 10 µL for lipidomics in 96-deep well plates. For lipidomics analysis, we utilized 100 µL of 2-propanol/methanol (6:1, v/v); and for metabolomics analysis, 100 µL of methanol/acetonitrile/water (5:3:1, v/v/v). After 10 min of vortexing, 800 rpm, precipitated proteins were separated by centrifugation for 20 min at 4 °C and 4000 rcf; supernatants were stored at -80 °C prior the analysis.

Combined analysis:

Analysis ID AN002300
Analysis type MS
Chromatography type None (Direct infusion)
Chromatography system none
Column none
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode UNSPECIFIED
Units intensity

Chromatography:

Chromatography ID:CH001690
Instrument Name:none
Column Name:none
Chromatography Type:None (Direct infusion)

MS:

MS ID:MS002143
Analysis ID:AN002300
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:To determine the number of reproducibly detected m/z features by a specific FI-MS method configuration, we performed 6 repeated injections of the biological sample from the same vial followed by the injection of 6 blank samples (i.e. sample preparation protocol applied to a water sample) and identified reproducibly detected features based on low RSD (<30%) and high SNR (>4)
Ion Mode:UNSPECIFIED
  logo