Summary of Study ST001682

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 PR001081. The data can be accessed directly via it's Project DOI: 10.21228/M8ZT4C 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.

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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.
Institute
Lomonosov MSU
DepartmentChemistry
LaboratoryMass spectrometry
Last NamePlyushchenko
First NameIvan
AddressLeninskie gory, 1/3
Emailplyush1993@bk.ru
Phone+79160362200
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
https://dx.doi.org/10.21228/M8ZT4C
ftp://www.metabolomicsworkbench.org/Studies/ 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 Type ESI
MS instrument type Other
MS instrument name Shimadzu LCMS-IT-TOF
Ion Mode POSITIVE
Units area

MS:

MS ID:MS002543
Analysis ID:AN002746
Instrument Name:Shimadzu LCMS-IT-TOF
Instrument Type:Other
MS Type:ESI
MS Comments: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. The column effluent was analyzed by ESI-MS. MS detection was operated in positive ionisation mode with the following parameters: detector voltage, 1.53 kV; interface voltage, +4.5 kV; CDL (curve desolvation line) temperature, 200 ˚C; block heater temperature, 200 ˚C; nebulizing gas flow (He), 1.5 L/min; drying gas pressure, 100 kPa. Full scan MS data were acquired in the range of 80–850 m/z (ion accumulation time, 30 ms; event time, 300 ms; repeat = 3.
Ion Mode:POSITIVE
Capillary Voltage:+4.5 kV
Dry Gas Flow:100 kPa
Helium Flow:1.5 ml/min
Ion Source Temperature:200 ˚C
Ionization:positive
Mass Accuracy:15 ppm
Source Temperature:200 ˚C
Cdl Temperature:200 ˚C
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