Summary of Study ST001638

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 PR001035. The data can be accessed directly via it's Project DOI: 10.21228/M8X39Q This work is supported by NIH grant, U2C- DK119886.


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Study IDST001638
Study TitleMetabolomics analysis of Vehicle (DMSO/PBS; (1:1) v/v) and DRB18 (10 mg/kg) treated A549 xenograft tumors
Study TypeAnticancer compound treatment experiment in vivo
Study SummaryA549 xenograft tumors were treated with (DMSO/PBS; (1:1) v/v) and DRB18 (10 mg/kg) for 5 weeks. The mice were then sacrificed and tumors were then excised. Tumors were then subjected to untargeted metabolomics analysis.
Ohio University
DepartmentBiological Sciences
LaboratoryDr. Xiaozhuo Chen, Edison biotechnology Institute
Last NameShriwas
First NamePratik
Address172 Water Tower, Building 25, The Ridges, Konnekar Research Centerm Athens Ohio - 45701, USA
Submit Date2020-12-07
Num Groups2
Total Subjects20
Num Males20
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailLC-MS
Release Date2021-04-01
Release Version1
Pratik Shriwas Pratik Shriwas application/zip

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Combined analysis:

Analysis ID AN002680
Analysis type MS
Chromatography type Unspecified
Chromatography system none
Column none
MS instrument type QTOF
MS instrument name Agilent 6545 QTOF
Units Normalized abundances


Chromatography ID:CH001974
Chromatography Summary:The entire LC/MS-MS experiment was performed in the Campus Chemical Instrumentation Center’s Mass Spectrometry and Proteomics facility at The Ohio State University. Lyophilized samples were dissolved in equal amounts of LC-MS grade water and acetonitrile and run with LC/MS-MS analysis, using an untargeted metabolomics approach by utilizing Agilent Q-TOF 6545 mass spectrometer connected to an Agilent 1290 UHPLC system with a Poroshell 120 SB-C18 (2 x 100 mm, 2.7 µm particle size) column. The LC gradient consisted of solvent A, H2O with 0.1 % Formic acid, and solvent B, 100 % acetonitrile at a 200 µL/min flow rate with an initial 2 % solvent B with a linear ramp to 95 % B at 15 min, holding at 95% B for 1 minutes, and back to 2 % B from 16 min and equilibration of 2 % B until min 32. A 5 µL volume sample was injected for each run and the top 5 ions were selected for data-dependent analysis with a 15 second exclusion window.
Instrument Name:none
Column Name:none
Column Pressure:800 bar
Column Temperature:40
Flow Gradient:an initial 2 % solvent B with a linear ramp to 95 % B at 15 min, holding at 95% B for 1 minutes, and back to 2 % B from 16 min and equilibration of 2 % B until min 32
Flow Rate:200 µL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile
Chromatography Type:Unspecified