Summary of Study ST001104

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR000716. The data can be accessed directly via it's Project DOI: 10.21228/M8496H This work is supported by NIH grant, U2C- DK119886.


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 IDST001104
Study TitleSeryl-leucine core 1 O-glycosylated peptide (SLC1G) identification
Study SummaryAn untargeted metabolomics approach was utilized to determine urinary metabolites that could serve as small molecule biomarkers for treatment response to standard tuberculosis treatment. However, the majority of metabolites that most accurately distinguished patient samples at time of diagnosis from those at one month after the start of therapy lacked structural identification. The detection of unknown metabolite structures is a well-known limitation of untargeted metabolomics, and underscores a need for continued elucidation of novel metabolite structures. In this study, we sought to define the structure of a urine metabolite with an experimentally determined mass of 202.1326 Da, classified as molecular feature (MF) 874.3547. Using mass spectrometry combined with enzymatic digestions, the metabolite was structurally characterized as a seryl-leucine core 1 O-glycosylated peptide (SLC1G) of human origin.
Colorado State University
Last NameFitzgerald
First NameBryna
Address3185 Rampart Rd
Submit Date2018-09-26
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailLC-MS
Release Date2019-01-22
Release Version1
Bryna Fitzgerald Bryna Fitzgerald application/zip

Select appropriate tab below to view additional metadata details:

Combined analysis:

Analysis ID AN001796 AN001797
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Agilent 1200 Agilent 1200
Column Atlantis T3 reverse-phase C18 (150 x 2.1mm,3.5um) Atlantis T3 reverse-phase C18 (150 x 2.1mm,3.5um)
MS instrument type TOF QTOF
MS instrument name Agilent 6230 TOF Agilent 6520 QTOF
Units counts m/z


Chromatography ID:CH001268
Instrument Name:Agilent 1200
Column Name:Atlantis T3 reverse-phase C18 (150 x 2.1mm,3.5um)
Column Temperature:30
Flow Gradient:100% Solvent A to 90% Solvent B
Flow Rate:0.25 ml/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% methanol; 0.1% formic acid
Chromatography Type:Reversed phase