Untargeted Metabolomics
This service is provided by the Biomarkers Core Laboratory (BCL)
Overview
Untargeted or non-targeted LC-based high-resolution metabolomics (LC-HRMS) is a hypothesis-generating approach that allows deep phenotyping of the human metabolome to explore the complex metabolic network for the identification of clinical biomarkers and to understand the functional changes in regulatory and metabolic pathways in response to systemic perturbations. Our untargeted metabolomics platforms can offer broad coverage of the metabolome, detecting thousands of small molecules or features (<1000 Da) of endogenous, microbial, and xenobiotic origin in various biological matrices, including cell lysates, tissue homogenates, and biofluids (serum, plasma, and urine).
Untargeted metabolomics is performed using one of our High Resolution Accurate Mass (HRAM) mass spectrometers: Orbitrap Q Exactive HF-X or Exploris 240 coupled with Vanquish Duo UHPLC systems (ThermoFisher). The chromatographic separation will be performed in triplicate by HILIC and reverse-phase chromatography under positive and negative ion modes, respectively. Data are processed through a computational pipeline leveraging Compound Discoverer (ThermoFisher) or open-source feature detection and peak alignment software, apLCMS, and xMSanalyzer. Core services include multivariate statistics and pathway informatics for known (annotated) compounds and unknown features.
Instrumentation
Thermo Scientific Q ExactiveTM HF-X MS
ThermoScientific Q Exactive HF-X Hybrid HRAM-MS combines a quadrupole mass filter in-line with a high-field Orbitrap mass analyzer. It is equipped with a high-capacity transfer tube (HCTT) and electrodynamic ion funnel, ensuring a broader mass range for metabolite detection. The Q Exactive HF-X MS with a scan speed up to 40 Hz, mass accuracy of <3ppm and 240,000 resolving power allows deep metabolome coverage, reproducibility, throughput, and robustness essential for unbiased longitudinal metabolomics studies.
Thermo Scientific Orbitrap Exploris™ 240 MS
Thermo Scientific Orbitrap Exploris 240 combines enhanced mass accuracy, sensitivity, scan speed, and resolving power upto 240,000 across a wide dynamic range to provide exceptional data quality for meabolome analysis. Exploris 240, equipped with an EASY-IC internal calibration source, allows unknown mass analysis with high accuracy (<1 ppm) and precision. E240 HRAM MS, with its operational simplicity and built-in AcquireX intelligent data acquisition strategy, collects more meaningful data with a faster turnaround for leading to deeper coverage of the metabolome.
Both the HRAM MS systems listed above are integrated with the Thermo Scientific VanquishTM Duo UHPLCs. Vanquish Duo UHPLC systems combine two independent LC flow paths to double the sample throughput or to exploit two-column chemistries in parallel to expand the metabolome depth and coverage.
Hours
The BCL is open Monday – Friday, 9am to 5pm. Samples may be dropped off during these hours, and dry ice must be used during transportation.
Eligibility and Requirements
Untargeted metabolomics services are available to all researchers at Columbia University and other academic institutions.
Investigators who are not affiliated with Columbia University will need to complete a service agreement that the legal or purchasing departments of both parties must sign. This process takes approximately four weeks to finalize. The requestor’s legal or purchasing department’s service agreement template is typically used, but Columbia can provide one if necessary. Please contact us for more information on service agreements and pricing for non-CU-initiated studies.
The BCL is not Clinical Laboratory Improvement Amendments (CLIA)-certified. The data generated from BCL is to be used for research purposes only and not for clinical and diagnostic applications.
Submitting Requests
A new protocol submission request must be initiated in iLab for every new project. Samples will not be accepted without an active service request. Additional request details forms must be submitted if more assays or samples need to be added to an existing protocol. Please contact us for instructions on registering and submitting a service request through iLab.
Sample Submission
Please contact us to receive information on the BCL user policy and general sample submission guidelines. Please review them before the submission of samples.
When to Request This Service
We strongly encourage investigators to contact BCL director Dr. Renu Nandakumar (rn2374@cumc.columbia.edu) before submitting a new service request. This will facilitate a discussion on the project, scope, feasibility, appropriate analytical strategy, and other sample requirements. Please set up a consultation to initiate new metabolomics projects involving the development of the LCMS method.
Cost
A complete list of mass spectrometry-based assays and costs can be found here.