Summary of Study ST003074
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 PR001914. The data can be accessed directly via it's Project DOI: 10.21228/M89T5V 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 | ST003074 |
| Study Title | Spectral information for 3,5,3’-L-triiodothyronine (T3) and 3,5,3’5’-L-tetraiodothyronine (T4) from synthetic standards |
| Study Summary | We utilized synthetic standards for 3,5,3’-L-triiodothyronine (T3) and 3,5,3’5’-L-tetraiodothyronine (T4) to obtain high-quality MS2-level information that would aid compound identification from biological matrixes |
| Institute | Boston Children's Hospital |
| Department | Patholody |
| Laboratory | Kanarek Lab |
| Last Name | Petrova |
| First Name | Boryana |
| Address | 300 Longwood Av |
| boryana.petrova@childrens.harvard.edu | |
| Phone | 6173557433 |
| Submit Date | 2024-01-11 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | raw(Thermo) |
| Analysis Type Detail | LC-MS |
| Release Date | 2024-02-14 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Project:
| Project ID: | PR001914 |
| Project DOI: | doi: 10.21228/M89T5V |
| Project Title: | Optimized Mass Spectrometry Detection of Thyroid Hormones and Polar Metabolites in Rodent Cerebrospinal Fluid |
| Project Summary: | Thyroid hormones (TH) are required for brain development and function. Cerebrospinal fluid (CSF), which bathes the brain and spinal cord, contains TH as free hormone, or as bound to transthyretin (TTR). Tight TH level regulation in the central nervous system is essential for de-velopmental gene expression that governs neurogenesis, myelination, and synaptogenesis. This integrated function of TH highlights the importance of developing precise and reliable methods for assessing TH levels in CSF. We report an optimized liquid chromatography-mass spectrome-try (LC-MS) based method to measure TH in rodent CSF and serum, applicable to both fresh and frozen samples. Using this new method, we find distinct differences in CSF TH in pregnant dams vs. non-pregnant adults and in embryonic vs. adult CSF. Further, targeted LC-MS metabolic pro-filing uncovers distinct central carbon metabolism in the CSF of these populations. TH detection and metabolite profiling of related metabolic pathways open new avenues of rigorous research into CSF TH and will inform future studies on metabolic alterations in CSF during normal de-velopment. |
| Institute: | Boston Childrens Hospital |
| Department: | Pathology |
| Laboratory: | Kanarek Lab |
| Last Name: | Petrova |
| First Name: | Boryana |
| Address: | 300 Longwood Av |
| Email: | boryana.petrova@childrens.harvard.edu |
| Phone: | 6173557433 |
Subject:
| Subject ID: | SU003189 |
| Subject Type: | Synthetic sample |
Factors:
Subject type: Synthetic sample; Subject species: - (Factor headings shown in green)
| mb_sample_id | local_sample_id | Standard |
|---|---|---|
| SA332321 | T4_6 | 2nM 3,5,3’5’-L-tetraiodothyronine |
| SA332320 | T3_6 | 2nM 3,5,3’-L-triiodothyronine |
| Showing results 1 to 2 of 2 |
Collection:
| Collection ID: | CO003182 |
| Collection Summary: | The presented study is on chemical standards |
| Sample Type: | synthetic |
Treatment:
| Treatment ID: | TR003198 |
| Treatment Summary: | no treatments were performed |
Sample Preparation:
| Sampleprep ID: | SP003195 |
| Sampleprep Summary: | standards were solubilized in 50/50 methanol/water with 10uM ammonium hydroxide |
Combined analysis:
| Analysis ID | AN005032 |
|---|---|
| Analysis type | MS |
| Chromatography type | Reversed phase |
| Chromatography system | Thermo Vanquish |
| Column | Merck Supelco Ascentis Express C18 (150 x 2.1mm,2.7um) |
| MS Type | ESI |
| MS instrument type | Orbitrap |
| MS instrument name | Thermo Q Exactive Orbitrap |
| Ion Mode | POSITIVE |
| Units | NA |
Chromatography:
| Chromatography ID: | CH003803 |
| Methods Filename: | C18_LC_Conditions.pdf |
| Instrument Name: | Thermo Vanquish |
| Column Name: | Merck Supelco Ascentis Express C18 (150 x 2.1mm,2.7um) |
| Column Temperature: | 30 |
| Flow Gradient: | 0–5 min: gradient was held at 5% B; 2–12.1 min: linear gradient of 5% to 95% B; 12.1–17.0 min: 95% B; 17.1–21.0 min: gradient was returned to 5% B |
| Flow Rate: | 0.25 ml/min |
| Solvent A: | 100% water; 0.1% formic acid |
| Solvent B: | 100% acetonitrile; 0.1% formic acid |
| Chromatography Type: | Reversed phase |
MS:
| MS ID: | MS004771 |
| Analysis ID: | AN005032 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | MS data acquisition was performed using a Q Exactive Orbitrap benchtop orbitrap mass spectrometer equipped with an Ion Max source and a HESI II probe (Thermo Fisher Scientific, San Jose, CA, USA)in positive ionization mode and a PRM acquisition with the resolution set at 17,500, the AGC target at 2 × 10^5, and the maximum injection time (Max IT) at 40 msec. Collision energies were set at 20,40,60 and 80 NCE. Inclusion list was 651.7973 m/z for T3 and 777.6940 m/z for T4. HESI conditions were as follows: sheath gas flow rate: 40 units; Aug gas flow rate: 10 units; sweet gas flow rate: 0; spray voltage: 3.5 kV (pos), 2.8 kV (neg); capillary temperature: 380 °C; S-lens RF: 60; Aux gas heater temperature: 420 °C. MS spectra were consolidated using the mzVault software, automatically thresholded for noise and recalibrated for mass error. |
| Ion Mode: | POSITIVE |
