Summary of study ST001682

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 PR001081. The data can be accessed directly via it's Project DOI: 10.21228/M8ZT4C This work is supported by NIH grant, U2C- DK119886.


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Study IDST001682
Study TitleUntargeted urine LC-HRMS metabolomics profiling for bladder cancer binary outcome classification
Study SummaryTwo samples cohorts were analysed for bladder cancer biomarkers selection. Untargeted urine RP UPLC-HRMS metabolomics profiling was utilized in SCAN MS mode and positive polarity. Dilute and shoot technique was employed for sample preparation.
Lomonosov MSU
LaboratoryMass spectrometry
Last NamePlyushchenko
First NameIvan
AddressLeninskie gory, 1/3
Submit Date2020-10-20
Num Groups2
Total Subjects124
Raw Data AvailableYes
Raw Data File Type(s).cdf
Analysis Type DetailLC-MS
Release Date2021-02-22
Release Version1
Ivan Plyushchenko Ivan Plyushchenko application/zip

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Combined analysis:

Analysis ID AN002746
Analysis type MS
Chromatography type Reversed phase
Chromatography system Shimadzu 20AD
Column Waters Acquity BEH C18 (100 x 2mm, 1.7um)
MS instrument type Other
MS instrument name Shimadzu LCMS-IT-TOF
Units area


Chromatography ID:CH002028
Chromatography Summary:The apparatus consisted of a two LC-20AD pumps (Shimadzu, Japan), an automatic sample injector, coupled on-line with an LCMS-IT-TOF (Shimadzu, Japan) mass spectrometer with an electrospray ionization source. The HPLC separation was conducted on a 2.1 × 100 mm Waters Acquity UPLC BEH; 1.7 μm column (Waters, Milford MA, USA) with 2.1 × 5 mm UHPLC Guard 3PK Zorbax SB-C18 1.8 μm guard column (Agilent Technologies, USA). Two solvents were used: (A) deionized water with 0,1% formic acid, and (B) MeCN. After a 5 min hold at 5% solvent B, elution was performed according to the following conditions: from 5% B to 40% B in 20 min; to 95% B in 7 min; keeping constant for 10 min, to 5% B in 3 min, followed by 5 min of equilibration on the initial conditions. Total analysis time was 50 min. Column temperature was 35˚C. Autosampler tray temperature was 4˚C.
Instrument Name:Shimadzu 20AD
Column Name:Waters Acquity BEH C18 (100 x 2mm, 1.7um)
Column Pressure:300-500 bar
Column Temperature:35
Flow Gradient:non-linear
Flow Rate:0.3 ml/min
Injection Temperature:5
Internal Standard:papaverine
Sample Injection:5 mkl
Solvent A:deionized water with 0,1% formic acid
Solvent B:MeCN
Analytical Time:50 min
Chromatography Type:Reversed phase