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.
| Study ID | ST001380 |
| Study Title | Fast and sensitive flow-injection mass spectrometry metabolomics by analyzing sample specific ion distributions |
| Study 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 |
| Last Name | Shlomi |
| First Name | Tomer |
| Address | Technion |
| tomersh@cs.technion.ac.il | |
| Phone | +972-77-8871497 |
| Submit Date | 2020-05-17 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzXML, raw(Thermo) |
| Analysis Type Detail | MS(Dir. Inf.) |
| Release Date | 2020-05-22 |
| Release Version | 1 |
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 |
|---|---|---|
| SA100895 | Blank_3 | Blank |
| SA100896 | Blank_4 | Blank |
| SA100897 | Blank_6 | Blank |
| SA100898 | Blank_2 | Blank |
| SA100899 | Blank_5 | Blank |
| SA100900 | Blank_1 | Blank |
| SA100901 | Sample_3 | Serum |
| SA100902 | Sample_2 | Serum |
| SA100903 | Sample_4 | Serum |
| SA100904 | Sample_5 | Serum |
| SA100905 | Sample_6 | Serum |
| SA100906 | Sample_1 | Serum |
| Showing results 1 to 12 of 12 |
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 |
