Summary of Study ST002468

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 PR001594. The data can be accessed directly via it's Project DOI: 10.21228/M8NQ69 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 IDST002468
Study TitleFirst approach on the use of samples from fecal occult blood screening kits for metabolomic analysis. Application in colorectal cancer population.
Study SummaryCancer is the most common disease around the world and colorectal cancer is the second most common cancer. The early diagnosis of colorectal cancer is difficult and relies on invasive diag-nostic tools such as colonoscopy and tissue biopsy. Other non-invasive techniques such as fecal occult blood screening test (FOBT) are less sensitive and accurate. The advantage of FOBT together with high throughput technology such as metabolomics could provide the advantages of non-invasive tool and the effectiveness of detecting novel colorectal cancer markers. In this way, this work focuses on the novelty of using FOBT as samples to perform metabolomics analysis and its application on colorectal cancer population.
Institute
CIC bioGUNE - Centro de Investigación Cooperativa en Biociencias
Last NameAlboniga
First NameOihane
AddressBizkaia Technology Park, Bld.800, Derio, Bizkaia, 48160, Spain
Emailoalboniga@cicbiogun.es
Phone+34 944061317
Submit Date2022-12-09
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2023-02-22
Release Version1
Oihane Alboniga Oihane Alboniga
https://dx.doi.org/10.21228/M8NQ69
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001594
Project DOI:doi: 10.21228/M8NQ69
Project Title:Metabolomics to study colorectal cancer disease
Project Summary:LC-MS metabolomics to study colorectal cancer disease using samples collected with fecal occult blood testing kit from humans
Institute:CIC bioGUNE - Centro de Investigación Cooperativa en Biociencias
Last Name:Alboniga
First Name:Oihane
Address:Bizkaia Technology Park, Bld.800, Derio, Bizkaia, 48160, Spain
Email:oalboniga@cicbiogun.es
Phone:+34 944061317

Subject:

Subject ID:SU002558
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Gender Group
SA247369owl-2124-061F AD
SA247370owl-2124-060F AD
SA247371owl-1923-022F AD
SA247372owl-2124-091F AD
SA247373owl-2124-059F AD
SA247374owl-2124-092F AD
SA247375owl-2124-057F AD
SA247376owl-2124-052F AD
SA247377owl-1923-017F AD
SA247378owl-2124-054F AD
SA247379owl-2124-056F AD
SA247380owl-2124-090F AD
SA247381owl-2124-058F AD
SA247382owl-2124-096F AD
SA247383owl-2124-084F AD
SA247384owl-2124-079F AD
SA247385owl-2124-080F AD
SA247386owl-2124-088F AD
SA247387owl-2124-076F AD
SA247388owl-2124-081F AD
SA247389owl-2124-073F AD
SA247390owl-2124-074F AD
SA247391owl-2124-086F AD
SA247392owl-2124-097F CRC
SA247393owl-1923-042F CRC
SA247394owl-1923-036F CRC
SA247395owl-1923-041F CRC
SA247396owl-1923-034F CRC
SA247397owl-1923-032F CRC
SA247398owl-2124-047F CTL
SA247399owl-2124-046F CTL
SA247400owl-1923-007F CTL
SA247401owl-2124-044F CTL
SA247402owl-1923-005F CTL
SA247403owl-1923-003F CTL
SA247404owl-1923-002F CTL
SA247405owl-2124-043F CTL
SA247406owl-2124-051F CTL
SA247407owl-2124-049F CTL
SA247408owl-1923-009F CTL
SA247409owl-2124-021F CTL
SA247410owl-2124-020F CTL
SA247411owl-2124-042F CTL
SA247412owl-2124-023F CTL
SA247413owl-2124-024F CTL
SA247414owl-2124-017F CTL
SA247415owl-2124-015F CTL
SA247416owl-2124-007F CTL
SA247417owl-2124-006F CTL
SA247418owl-2124-008F CTL
SA247419owl-2124-012F CTL
SA247420owl-2124-013F CTL
SA247421owl-2124-028F CTL
SA247422owl-2124-022F CTL
SA247423owl-1923-013F CTL
SA247424owl-2124-034F CTL
SA247425owl-2124-038F CTL
SA247426owl-2124-039F CTL
SA247427owl-2124-040F CTL
SA247428owl-2124-032F CTL
SA247429owl-2124-035F CTL
SA247430owl-2124-029F CTL
SA247431owl-2124-030F CTL
SA247368owl-1923-001- CTL
SA247432owl-1923-025M AD
SA247433owl-2124-085M AD
SA247434owl-1923-026M AD
SA247435owl-2124-083M AD
SA247436owl-1923-020M AD
SA247437owl-1923-021M AD
SA247438owl-1923-016M AD
SA247439owl-2124-087M AD
SA247440owl-1923-018M AD
SA247441owl-2124-093M AD
SA247442owl-2124-094M AD
SA247443owl-1923-023M AD
SA247444owl-1923-019M AD
SA247445owl-1923-024M AD
SA247446owl-2124-089M AD
SA247447owl-2124-095M AD
SA247448owl-2124-066M AD
SA247449owl-2124-064M AD
SA247450owl-2124-065M AD
SA247451owl-2124-067M AD
SA247452owl-2124-063M AD
SA247453owl-2124-062M AD
SA247454owl-2124-082M AD
SA247455owl-2124-053M AD
SA247456owl-2124-068M AD
SA247457owl-2124-055M AD
SA247458owl-2124-078M AD
SA247459owl-2124-077M AD
SA247460owl-2124-069M AD
SA247461owl-2124-072M AD
SA247462owl-2124-075M AD
SA247463owl-2124-071M AD
SA247464owl-2124-070M AD
SA247465owl-1923-031M CRC
SA247466owl-1923-038M CRC
SA247467owl-1923-037M CRC
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Collection:

Collection ID:CO002551
Collection Summary:Samples were collected from the Biodonostia Health Research Institute. The inclusion criteria were asymptomatic individuals with intermediate risk. That is, individuals from 50 to 69 years that do not have clinical symptoms, and patients that do not have any family history or other factor associated with colorectal cancer. The study was conducted according to the clinical and ethical principals of the Spanish Government and the Declaration of Helsinki and it was approved by the Ethics Committee for Clinical Research of Euskadi (PI2013073). Informed consent was obtained from each individual. Patients and control individuals self-collected a fecal sample from one bowel movement without specific diet or medication restrictions at home the week before a colonoscopy was performed.
Sample Type:Feces

Treatment:

Treatment ID:TR002570
Treatment Summary:The fecal samples was delivered to the hospital and brought to the laboratory in less than 4 hours, split in aliquots and immediately frozen at -80 °C. one aliquot of each sample was employed for fecal occult blood (FOB) measurement. The remaining volume of each of the FOB extract was frozen at -80 °C until its use for metabolomics analysis.

Sample Preparation:

Sampleprep ID:SP002564
Sampleprep Summary:SP.pdf contains all the detailed information related to sample preparation.
Sampleprep Protocol Filename:SP.pdf

Combined analysis:

Analysis ID AN004024
Analysis type MS
Chromatography type Reversed phase
Chromatography system Waters Acquity
Column Waters Acquity UPLC BEH C18 (100 x 1.0 mm, 1.7um)
MS Type ESI
MS instrument type QTOF
MS instrument name Waters QTOF Premier
Ion Mode POSITIVE
Units normalized peak area

Chromatography:

Chromatography ID:CH002974
Instrument Name:Waters Acquity
Column Name:Waters Acquity UPLC BEH C18 (100 x 1.0 mm, 1.7um)
Column Temperature:-
Flow Gradient:A 10 minutes linear gradient increasing from 40% to 100% of B was used. After 5 minutes at 100% B, the mobile phase was reset to the initial conditions and maintained for 2 minutes. Total run 17 minutes.
Flow Rate:0.15 mL/min
Solvent A:40% water/60% acetonitrile; 10mM ammonium formate
Solvent B:25% acetonitrile/75% isopropanol; 10mM ammonium formate
Chromatography Type:Reversed phase

MS:

MS ID:MS003771
Analysis ID:AN004024
Instrument Name:Waters QTOF Premier
Instrument Type:QTOF
MS Type:ESI
MS Comments:The mass spectra data were acquired in positive ionization mode with capillary and cone voltages of 2000 and 35 V, respectively. The desolvation gas was set to 1000 L/h at a temperature of 400 °C. The cone gas was set to 30 L/h, and the source temperature was set to 120 °C. The MS detector operated in centroid acquisition mode for a m/z range of 50-1200, using an accumulation time of 0.5 s per spectrum. All spectra were mass corrected in real time by reference to leucine enkephaline, infused at 10 µL/min through an independent reference electrospray, sampled every 10 s.
Ion Mode:POSITIVE
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