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:
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 |
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 |
