Summary of Study ST002459
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 PR001586. The data can be accessed directly via it's Project DOI: 10.21228/M8PQ70 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.
| Study ID | ST002459 |
| Study Title | Comparison of metabolite profiles from matched whole blood microsamplers, whole blood dried blood spots, and plasma. |
| Study Summary | Venous blood was collected from 54 adult female participants from the PRISM cohort. Whole blood and venous blood was aliquoted. Untargeted metabolomics was performed on whole blood collected on Mitra microsamplers (VAMS, 10 uL), whole blood dried blood spots (DBS, 5-mm punch), and 10 uL of plasma |
| Institute | Icahn School of Medicine at Mount Sinai |
| Last Name | Petrick |
| First Name | Lauren |
| Address | 1428 Madison Avenue, Atran Building |
| lauren.petrick@mssm.edu | |
| Phone | 9739976141 |
| Submit Date | 2023-01-22 |
| Total Subjects | 54 |
| Num Females | 54 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | LC-MS |
| Release Date | 2024-01-22 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004011 | AN004012 | AN004013 |
|---|---|---|---|
| Chromatography ID | CH002962 | CH002963 | CH002964 |
| MS ID | MS003758 | MS003759 | MS003760 |
| Analysis type | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | HILIC |
| Chromatography system | Agilent 6550 | Agilent 6550 | Agilent 6550 |
| Column | Agilent Zorbax StableBond Aq (50 x 2.1mm,1.8um) | Agilent ZORBAX Eclipse Plus C18 (50 x 2.1mm,1.8um) | SeQuant ZIC-HILIC (100 x 2.1mm,3.5um) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | QTOF | QTOF | QTOF |
| MS instrument name | Agilent 6550 QTOF | Agilent 6550 QTOF | Agilent 6545 QTOF |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE |
| Units | Ion abundance | Ion abundance | Ion abundance |
MS:
| MS ID: | MS003758 |
| Analysis ID: | AN004011 |
| Instrument Name: | Agilent 6550 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Full mass spectra were acquired at 1.67 spectra/s in the range 50–1000 m/z. Data files were divided according to respective groupings of samples, pooled QC, and matrix samples. Parameters for peak picking grouping, and alignment with ‘XCMS’ included centwave feature detection, orbiwarp retention time correction, minimum fraction of samples in one group to be a valid group = 0.25, isotopic ppm error = 10. The resulting peak table of retention times, m/z values, and peak areas was exported for data processing. Missing values in the peak table were filled using the peakFill() function in XCMS. |
| Ion Mode: | POSITIVE |
| MS ID: | MS003759 |
| Analysis ID: | AN004012 |
| Instrument Name: | Agilent 6550 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Full mass spectra were acquired at 1.67 spectra/s in the range 40–1200 m/z.arameters for peak picking grouping, and alignment with ‘XCMS’ included centwave feature detection, orbiwarp retention time correction, minimum fraction of samples in one group to be a valid group = 0.25, isotopic ppm error = 10. The resulting peak table of retention times, m/z values, and peak areas was exported for data processing. Missing values in the peak table were filled using the peakFill() function in XCMS. |
| Ion Mode: | NEGATIVE |
| MS ID: | MS003760 |
| Analysis ID: | AN004013 |
| Instrument Name: | Agilent 6545 QTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | Full mass spectra were acquired at 1.67 spectra/s in the range 40–1200 m/z. Parameters for peak picking grouping, and alignment with ‘XCMS’ included centwave feature detection, orbiwarp retention time correction, minimum fraction of samples in one group to be a valid group = 0.25, isotopic ppm error = 10. The resulting peak table of retention times, m/z values, and peak areas was exported for data processing. Missing values in the peak table were filled using the peakFill() function in XCMS. |
| Ion Mode: | POSITIVE |
