Summary of Study ST002341

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR001503. The data can be accessed directly via it's Project DOI: 10.21228/M8DQ5R This work is supported by NIH grant, U2C- DK119886.


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 IDST002341
Study TitleMetabolomic analysis of colorectal cancer cells using mass spectrometry
Study SummaryColorectal cancer (CRC) is one of the most prevalent tumors, with a high mortality rate. Nearly half of CRC patients develop metastasis, which accounts for as many as 90% of CRC-related deaths. In the metastasis process, cancer cells exhibit altered dependency on specific metabolic pathways and some of the metabolites discovered might be useful as potential diagnostic biomarkers. To identify metabolic pathway dependencies in CRC metastasis, mass spectrometry-based untargeted metabolomic analysis was performed in two pairs of CRC cell lines with different metastatic abilities. Each pair of cell lines was comprised of primary and metastatic colorectal cancer cell lines (SW480 vs. SW620; HT-29 vs. COLO 205). Relative levels of intracellular metabolites distinguished high-metastatic CRC cells from low-metastatic CRC cells.
Nanjing Medical University
Last NameZhang
First NameWenjun
Address101Longmian Avenue, Jiangning District, Nanjing 211166, P.R. China
Submit Date2022-10-06
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2022-11-28
Release Version1
Wenjun Zhang Wenjun Zhang application/zip

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Combined analysis:

Analysis ID AN003824 AN003825
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system UPLC Ultimate 3000 system UPLC Ultimate 3000 system
Column Phenomenex Kinetex C18 (100 x 2.1mm,2.6um) Phenomenex Kinetex C18 (100 x 2.1mm,2.6um)
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap
Units Peak area Peak area


Chromatography ID:CH002830
Instrument Name:UPLC Ultimate 3000 system
Column Name:Phenomenex Kinetex C18 (100 x 2.1mm,2.6um)
Column Temperature:40 °C
Flow Gradient:10% B (0 min) → 30% B (1 min) → 95% B (19 min) → 95% B (20 min)
Flow Rate:0.4 mL/min
Injection Temperature:4 °C
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Chromatography Type:Reversed phase