Summary of Study ST001608

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 PR001033. The data can be accessed directly via it's Project DOI: 10.21228/M85M45 This work is supported by NIH grant, U2C- DK119886.

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Study IDST001608
Study TitleComparing gas chromatography with time-of-flight, quadrupole time-of-flight and quadrupole mass spectrometry for stable isotope tracing (part-I)
Study SummaryStable isotope tracers are applied in vivo and in vitro studies to reveal the activity of enzymes and intracellular metabolic pathways. Most often, such tracers are used with gas chromatography coupled to mass spectrometry (GC-MS) due to its ease of operation and reproducible mass spectral databases. Differences in isotope tracer performance of classic GC-quadrupole MS instrument and newer time-of-flight instruments are not well-studied. Here, we used three commercially available instruments for the analysis of identical samples from a stable isotope labeling study that used [U-13C6] d-glucose to investigate the metabolism of Rothia mucilaginosa with respect to 29 amino acids and hydroxyl acids involved in primary metabolism. Overall, all three GC-MS instruments (low-resolution GC-SQ-MS, low-resolution GC-TOF-MS, and high-resolution GC-Q-TOF-MS) can be used to perform stable isotope tracing studies for glycolytic intermediates, TCA metabolites and amino acids, yielding similar biological results, with high-resolution GC-Q-TOF-MS offering additional capabilities to identify chemical structures of unknown compounds that might show significant isotope enrichments in biological studies.
Institute
University of California, Davis
LaboratoryOliver Fiehn
Last NameZhang
First NameYing
AddressWest Coast Metabolomics Center, University of California, Davis, 95616, CA, USA
Emailythzhang@ucdavis.edu
Phone+1-530-754-8258
Submit Date2020-11-19
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailGC-MS
Release Date2021-05-19
Release Version1
Ying Zhang Ying Zhang
https://dx.doi.org/10.21228/M85M45
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN002641 AN002642
Analysis type MS MS
Chromatography type GC GC
Chromatography system Agilent 7890A Agilent 7890A
Column Restek Rtx-5Sil (30m x 0.25mm,0.25um) Restek Rtx-5Sil (30m x 0.25mm,0.25um)
MS Type EI EI
MS instrument type QTOF Single quadrupole
MS instrument name Agilent 7200 QTOF Agilent 5977
Ion Mode POSITIVE POSITIVE
Units peak height peak height

Chromatography:

Chromatography ID:CH001951
Chromatography Summary:an Agilent 7890 GC system installed with a Restek RTX-5Sil MS column (30m length, 0.25 mm i.d, 0.25 μM df, 95% dimethyl/5%diphenyl polysiloxane film) with an additional 10m guard column. For Q-TOF-MS analyses,GC parameters were used by injecting 1 µL of derivatized sample into the GC in splitless mode at an injection temperature of 250°C and a constant flow of 1 mL/min. The initial oven temperature was held at 60°C for 0.5 min, and ramped at a rate of 10°C/min to 325°C that was maintained for 10 min for a total run time of 37 min.
Instrument Name:Agilent 7890A
Column Name:Restek Rtx-5Sil (30m x 0.25mm,0.25um)
Chromatography Type:GC
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