Summary of Study ST000284
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 PR000226. The data can be accessed directly via it's Project DOI: 10.21228/M8FG61 This work is supported by NIH grant, U2C- DK119886.
See: https://www.metabolomicsworkbench.org/about/howtocite.php
| Study ID | ST000284 |
| Study Title | Colorectal Cancer Detection Using Targeted Serum Metabolic Profiling |
| Study Summary | Colorectal cancer (CRC) is one of the most prevalent and deadly cancers in the world. Despite an expanding knowledge of its molecular pathogenesis during the past two decades, robust biomarkers to enable screening, surveillance, and therapy monitoring of CRC are still lacking. In this study, we present a targeted liquid chromatography-tandem mass spectrometry-based metabolic profiling approach for identifying biomarker candidates that could enable highly sensitive and specific CRC detection using human serum samples. In this targeted approach, 158 metabolites from 25 metabolic pathways of potential significance were monitored in 234 serum samples from three groups of patients (66 CRC patients, 76 polyp patients, and 92 healthy controls). Partial least squares-discriminant analysis (PLS-DA) models were established, which proved to be powerful for distinguishing CRC patients from both healthy controls and polyp patients. Receiver operating characteristic curves generated based on these PLS-DA models showed high sensitivities (0.96 and 0.89, respectively, for differentiating CRC patients from healthy controls or polyp patients); good specificities (0.80 and 0.88), and excellent areas under the curve (0.93 and 0.95) were also obtained. Monte Carlo cross validation (MCCV) was also applied, demonstrating the robust diagnostic power of this metabolic profiling approach. |
| Institute | University of Washington |
| Department | Anesthesiology and Pain Medicine |
| Laboratory | Northwest Metabolomics Research Center |
| Last Name | Gu |
| First Name | Haiwei |
| Address | 850 Republican St. |
| haiwei@uw.edu | |
| Phone | 7654919481 |
| Submit Date | 2015-12-15 |
| Num Groups | 3 |
| Total Subjects | 234 |
| Num Males | 118 |
| Num Females | 116 |
| Publications | Colorectal Cancer Detection Using Targeted Serum Metabolic Profiling, J. Proteome. Res., 2014, 13, 4120-4130 |
| Raw Data File Type(s) | wiff |
| Analysis Type Detail | LC-MS |
| Release Date | 2015-12-16 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN000452 |
|---|---|
| Analysis type | MS |
| Chromatography type | HILIC |
| Chromatography system | Agilent 1260 |
| Column | SeQuant ZIC-cHILIC |
| MS Type | ESI |
| MS instrument type | Triple quadrupole |
| MS instrument name | ABI Sciex 5500 QTrap |
| Ion Mode | UNSPECIFIED |
| Units | cps |
Chromatography:
| Chromatography ID: | CH000323 |
| Chromatography Summary: | The LC system was composed of two Agilent 1260 binary autosampler, and Agilent 1290 column valve (Agilent 10 ?L for analysis using negative ionization mode and 2 positive ionization mode. Both chromatographic hydrophilic interaction ZIC-cHILIC KGaA, to perform the separation, while the other column for the next injection. The flow temperature was kept the phase was composed of Solvents A (5 mM acetonitrile +0.2% acetic acetonitrile/ confirmed by spiking the with metabolites). However, some metabolites that could had similar m/z values (<1 Da) were acid and 3- samples not undergo any significant shift (each peak was of analysis), which proved the |
| Instrument Name: | Agilent 1260 |
| Column Name: | SeQuant ZIC-cHILIC |
| Column Temperature: | 40oC |
| Flow Gradient: | 0-2 min: 90%B; 2-5 min: to 50%B; 5-9 min: 50%B |
| Flow Rate: | 0.3 mL/min |
| Injection Temperature: | 4oC |
| Sample Injection: | 2 uL for positive and 10 uL for negative |
| Solvent A: | 90% water/10% acetonitrile; 0.2% acetic acid; 5 mM ammonium acetate |
| Solvent B: | 90% acetonitrile/ 10% water; 0.2% acetic acid; 5 mM ammonium acetate |
| Analytical Time: | 18 min |
| Capillary Voltage: | 3.8kV |
| Chromatography Type: | HILIC |
