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 Childrens 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:
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 |
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 |
