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:


Project ID:PR000716
Project DOI:doi: 10.21228/M8496H
Project Title:Evaluation of TB Treatment Response Biomarkers
Project Type:Directed MS analysis
Project Summary:Directed MS analysis of promising treatment response biomarkers in TB patient urine.
Institute:Colorado State University
Department:Department of Microbiology, Immunology, and Pathology
Last Name:Fitzgerald
First Name:Bryna
Address:3185 Rampart Rd, Fort Collins, CO, 80521, USA
Funding Source:NIH U01 AI-115619


Subject ID:SU001149
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606


Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Sample Type
SA075182SLC1G_only.dEnriched SLC1G
SA075184SLC1G+a2-368.dEnriched SLC1G after treatment with a2-3,6,8 neuraminidase
SA075185SLC1G+both.dEnriched SLC1G after treatment with a2-3,6,8 neuraminidase and O-glycosidase
SA075186SLC1G+both-r002.dEnriched SLC1G after treatment with a2-3,6,8 neuraminidase and O-glycosidase for comparison with seryl-leucine standard
SA075187SLC1G+both_10.dEnriched SLC1G after treatment with a2-3,6,8 neuraminidase and O-glycosidase for comparison with seryl-leucine standard
SA075183SLC1G+a2-3.dEnriched SLC1G after treatment with a2-3 neuraminidase
SA0751887728_CE20.dPatient urine
SA075189SL_10.dSeryl-leucine Standard
SA075190SL-r002.dSeryl-leucine Standard
Showing results 1 to 9 of 9


Collection ID:CO001143
Collection Summary:Urine was collected and frozen at -20 for storage. Prior to analysis, urine was thawed and centrifuged to remove particulates.
Sample Type:Urine


Treatment ID:TR001163
Treatment Summary:Urine, SLC1G enriched from urine, and seryl-leucine synthetic standard were analyzed by LC-MS and LC-MS/MS

Sample Preparation:

Sampleprep ID:SP001156
Sampleprep Summary:Urine was thawed on ice and centrifuged to remove particulates prior to analysis.

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


MS ID:MS001657
Analysis ID:AN001796
Instrument Name:Agilent 6230 TOF
Instrument Type:TOF
Capillary Voltage:2000 V
Dry Gas Flow:11 L/min
Fragment Voltage:120 V
Nebulizer:40 psi
Octpole Voltage:750 V
Skimmer Voltage:60 V
Analysis Protocol File:SLC1G_Identification_Methods.docx
MS ID:MS001658
Analysis ID:AN001797
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
Capillary Voltage:2000 V
Collision Energy:10 V
Dry Gas Flow:8 L/min
Fragment Voltage:120 V
Nebulizer:45 psi
Octpole Voltage:750 V
Scanning Cycle:1.2 spectra/sec
Scanning Range:100-1700 m/z
Skimmer Voltage:60 V
Analysis Protocol File:SLC1G_Identification_Methods.docx