Exploris-Statement of Work.pdf

STATEMENT OF WORK

OrbitrapTM Mass Spectrometry Instrumentation for Molecular Assembly and Position Specific Isotope Analysis

Background

Agnostic biosignature research is a new field within astrobiology and life detection focused on tools and techniques that identify features in natural systems that would not arise due to abiotic processes. This research relies on pristine understanding of non-biological systems and detection methods that can identify sometimes subtle signals of energetic input in physical and chemical systems. The NASA/Goddard Space Flight Center (GSFC) for Astrobiology and the Goddard Agnostic Biosignature Initiative are interested in perfecting analytical pipelines that can inform our understanding of chemical expression and reaction pathways evident in extraterrestrial samples in order to distinguish common small molecules that are also used in biological processes. These metrics rely on measures of intrinsic complexity in suites of molecules and intramolecular patterns that indicate enzymatic, rather than kinetic, syntheses.

This instrument suite is necessary for this ongoing research. These methods based on fragmentation and ultrahigh resolution mass spectrometry that can interrogate single atom isotope enrichments in small molecules. Our methods require tandem mass analyzers to generate separate signals for different ions in complex mixtures as well as high resolution mass spectrometry to resolve analyte signals that differ by only a signal enriched atom for position specific isotope analysis. Our methods also rely on the characteristic fragmentation patterns generated by the OrbitrapTM mass analyzer in order to calculate molecular assembly estimates (Marshall et al., 2021). External and GSFC collaborators have expressed the importance of having these measurements to understand and predict the molecular complexity of these materials in order to understand the origin of organic compounds from primitive asteroid sources as well as biological systems.

Scope

This Statement of Work (SOW) defines tasks to provide a gas chromatograph high resolution OrbitrapTM mass analyzer at (NASA) Goddard Space Flight Center (GFSC).

This is intended to ensure the delivery of an analytical instrument suite for simultaneous in situ measurements of organic compounds, their position-specific isotope composition and their fragmentation patterns for small molecules separated by gas chromatography.

Requirements

The technician shall perform the necessary work to assemble the system, connect it to the electrical and gas supplies in the lab and calibrate the instrument for analytical use.

The following items shall be included:

1) A gas chromatograph equipped with both a programmable temperature vaporizing

(PTV) injector and a split/splitless (SSL) injector module. Both modules must be capable of integrated electronic gas control with both constant and programmable flow and pressure modes as well as Leak Check and Column Evaluation capabilities. The PTV must be capable of a maximum temperature of 450°C for large volume and on column injection while the SSL must be capable of a maximum temperature of 400°C and compatible with Merlin Microseal septa.

2) The GC must include a vacuum interlock that allows for source maintenance and switching between electron and chemical ionization without breaking vacuum.

3) An OrbitrapTM Exploris 240 mass spectrometer with a mass range from m/z 30- 3,000 with resolution up to 240,000 at m/z 200 and a scan rate of 40 Hz for m/z 200 with a resolution of 7,500. The mass spectrometer must have an analytical dynamic range of >106 and sensitivity of at least 100 fg octofluoronaphthalene with electron ionization and 10 pg benzophenone with chemical ionization.

4) The suite must come with a software license for Chromeleon and a 3D/MS spectral license as well as the most recent NIST MS library. This software will enable control of the instrument and 3D, GC-MS, and LS-MS data acquisition.

5) A complete CFR part 1194 compliant, IPv6 capable, Dell Optiplex MiniTower workstation to operate the software and the instrument.

6) The necessary pumps, filters, cords, and kits to operate the system.

7) Installation must be included.

8) Familiarization training is required for potential users of the instrument suite with the three day onsite support.

9) Extended warranty and maintenance plans are available.

10) The vendor must have internationally recognized expertise in OrbitrapTM mass spectrometry design and gas chromatography solutions as well as an established history of instrument support and service.

Deliverables or Delivery Schedule

• The Contractor shall provide an OrbitrapTM Exploris mass analyzer coupled to a gas chromatography instrument with both a PTV injector and a SSL injector module, a Merkur pump kit, oil mist filters, a 125V power cord, a Powervar Uninterrupted Power Supply system, an instrument Start-up kit and necessary calibrants.

• The Contractor shall provide a workstation equipped with Chromeleon and a Spectral license as well as the NIST (National Institute of Standards and Technology) 2020 Mass Spectral Library with Retention Index and Tandem Mass Spectra.

• The instrument must fit on a 6x3 lab bench and be compatible with an AMTEK Powervar Global Power Interface Series 2000 three-phase conditioner.

• The Contractor shall provide three days of onsite support for instrument calibration.

• The Contractor shall provide a maintenance plan and user support for one year after purchase with the option to purchase an extended warranty or maintenance plan in the future.

• The Contractor shall deliver and install the instrument in GSFC Bldg 34, Room C174 no more than ten weeks after approval.

Government-Furnished Equipment and Government-Furnished Information

• None.

Place of Performance

• NASA GSFC

Period of Performance

• The period of performance is three years.