Requirements-Specifications Document.pdf

SPECIFICATIONS

TITLE: Procurement of a Triple Quadrupole Mass Spectrometer with a Thermal Desorption- Based Ambient Ionization Source

I. BACKGROUND INFORMATION

The Surface and Trace Chemical Analysis Group (STCAG) of the Materials Measurement Science Division (MMSD) of the Materials Measurement Laboratory (MML) has significant research efforts in the fields of analytical chemistry and mass spectrometry, targeting the forensic science, public health, and homeland security communities. These efforts revolve around the chemical classification, identification, and characterization of relevant compounds, including drugs, metabolites, and explosives.

A major component of these efforts is the Rapid Drug Analysis and Research (RaDAR) program.

The RaDAR program provides comprehensive, near real-time analysis of drug residues collected from public safety and public health entities across the U.S. The core platform used to provide these measurements is high-resolution ambient ionization mass spectrometry (AI-MS). Over the last 12 months the RaDAR program has grown significantly and has begun to couple non-targeted qualitative analysis with quantitative analyses using liquid chromatography tandem mass spectrometry (LC- MS/MS). It has also expanded to include an effort to provide laboratory-grade measurements to community partners at point of need via a mobile testing laboratory.

The mobile testing laboratory is a 17-foot box van that has been customized with the necessary infrastructure to allow for on-site analysis of drug residues. To further enable our ability to provide high-quality data in the field, we require a liquid chromatography tandem mass spectrometry rapid quantitative analysis. Because of the need to limit solvent use in this environment, analyses must be conducted using a thermal desorption-based ambient ionization source.

For the system to be able to be used within the mobile laboratory, it has to meet specific size, weight, and environmental requirements. The system must fit on a benchtop as there is no space for a floor-based instrument.

II. SPECIFICATIONS

The Contractor shall provide one (1) triple quadrupole mass spectrometry system with a thermal desorption-based ambient ionization source and all necessary accessories that meets or exceeds the following requirements:

A. General Requirements 1.The system shall include a benchtop triple quadrupole mass spectrometer, electrospray ionization (ESI) source, and corresponding thermal desorption-based ambient ionization source.

2. The system shall include a PC-based data system/instrument controller including operating system, instrument control/data acquisition/data analysis software, and monitor.

3. The system, including auxiliary components for the ambient ionization source and auxiliary vacuum pumps, shall weigh less than 300 pounds.

4. The system shall fit on a standard laboratory bench (30 inches deep). The system shall require no more than 36 inches of bench space (including any auxiliary components for the ambient ionization source but excluding the computer).

5. The system must be capable of being mounted in a mobile, truck-based laboratory.

B. System

1. The ionization sources shall be able to be changed without breaking the vacuum of the mass spectrometer.

• The ESI probe shall be capable of liquid flow rates of 1 µL/min to 1 mL/min. The

ESI source shall have a vacuum insulated probe and an active exhaust.

2. The mass spectrometer system shall have a minimum mass range of m/z 20-1,000.

3. The mass spectrometer must be able to acquire full scan and tandem (MS/MS) data.

4. The mass spectrometer shall have a mass accuracy of 1 Da or better.

5. The mass spectrometer shall have a maximum MRM collection rate of at least 500

MRM/s to support the rapid data collection required for ambient ionization analysis.

6. The mass spectrometer shall have a scan rate of at least 20,000 Da/s.

7. The mass spectrometer shall have a dynamic range of 107 or greater to support sequential analysis of trace and bulk samples.

8. The ambient ionization source shall be thermal desorption based, not solvent or laser based.

9. The system must only use nitrogen, helium, air, and/or argon as gas sources.

10. The system must be able to be operated in temperatures ranging from 15 ºC to 35 ºC and at humidity ranges from 20 % RH to 80 % RH.

• Mass accuracy of the mass spectrometer must drift <0.2 Da under these conditions within a 24-hour period.

11. The system must not require more than 2500 W of power when using the ambient ionization source (including any auxiliary vacuum pumps, or accessories).

12. The system must be able to complete all calibration and performance verification checks without reliance on a liquid chromatography system.

13. Manuals for the operation and maintenance of the system shall be included in electronic form.

14. The system shall come with a compatible computer system (CPU, monitor, keyboard, mouse).

C. Data System & Software

1. Software shall enable feature finding, identification, and classification routines; statistical analyses of untargeted data; quantitation, calibration, and quality control routines.

2. Ability to statistically compare samples, with by principal component analysis (PCA) analysis, partial least square analysis, hierarchical clustering, and T-test capabilities.

3. Recursive sample analysis capabilities shall exist for comparison of multiple samples.

4. The software shall allow the user to upload raw data files and detect peaks via a library search.

5. The system shall have the ability to output all mass spectral data and all fragmentation conditions, automatically after each run in an open-source format.

D. Warranty

The Contractor shall provide, at a minimum, a one-year warranty for the entire system.

The warranty shall cover all parts, labor, travel, and shall include one preventative maintenance to ensure long-term performance and reliability of the instrument.

Replacement of defective parts shall be with parts approved for use by the Original Equipment Manufacturer. The warranty shall commence upon formal acceptance by the government.

E. System Enhancements

The Contractor shall be responsible for contacting and notifying the COR of all software updates released no later than 60 calendar days after any such update is released.

If Contractor installation is necessary to ensure proper performance, prior to completion of the installation, the Contractor shall test the equipment, review the instrument’s performance, and take whatever steps necessary to ensure each instrument functions in accordance with the manufacturer’s specifications

F. Installation

The Contractor shall install the system at the National Institute of Standards and Technology, 100 Bureau Dr., Building 217 / D122, Gaithersburg, Maryland 20899.

Installation shall include, at a minimum, uncrating/unpacking of all equipment, set-up and hook-up of all equipment, start-up, demonstration of specifications, and removal of all trash. Instrument shall operate to manufacturer’s specifications upon installation.

Installation shall take place during normal business hours, between 8:30 am and 5:00 pm Eastern Time, Monday through Friday except Federal Holidays, and will be coordinated with the NIST Contracting Officer’s Representative (COR). Installation is to occur within 10 days of receipt of instrument.

G. Training

The Contractor shall provide training for up to three (3) NIST personnel instructing them on proper use, troubleshooting and basic system maintenance. Training shall be provided at the National Institute of Standards and Technology, 100 Bureau Dr., Building 217 / D122 Gaithersburg, Maryland 20899. Normal duty hours are Monday through Friday, 8:30 a.m.

to 5:00 p.m. except for Federal holidays. Training shall be coordinated with the NIST Contracting Officer’s Representative (COR) and shall occur within 10 days after installation of instrument.

H. DELIVERY

The contractor shall deliver the equipment, FOB Destination shipping terms. FOB Destination means: The contractor shall pack and mark the shipment in conformance with carrier requirements, deliver the shipment in good order and condition to the point of delivery specified in the purchase order, be responsible for any loss of and/or damage to the goods occurring before receipt and acceptance of the shipment by the consignee at the delivery point specified in the purchase order;

and pay all charges to the specified point of delivery.

Delivery shall occur during normal business hours, between 8:30am and 5:00pm Eastern Time, Monday through Friday, except Federal Holidays and shall be made to:

National Institute of Standards and Technology

100 Bureau Dr.

Building 217 / D122 Gaithersburg, Maryland 20899-8371

I. DELIVERABLES

Description Quantity Due Date Delivery of system One (1) 30 calendar days after award

Operations and maintenance manual for instrument and all accessories One (1) 30 calendar days after award

Installation and Training One (1) Within 30 calendar days after delivery of instrument

J. ACCEPTANCE CRITERIA

Formal acceptance of the system will be given at the time the Contractor demonstrates that all performance specifications in this statement of requirement have been met.

K. GENERAL INFORMATION

Safety: The Contractor employee shall be responsible for knowing and complying with NIST installation safety prevention regulations. Such regulations include, but are not limited to, general safety, fire prevention, and waste disposal.

Security: NIST is a restricted campus. An identification badge is required for access for entry into buildings and also is shown to the armed Security Police when entering the campus.

Identification Badges: Contractor employees shall comply with NIST identification and access requirements. Each Contractor employee shall wear a visible identification badge provided by the NIST Security Office.

Vehicle Registration: All Contractor employees must register their vehicles with the NIST Security Office to gain access to the campus. A valid driver’s license, Government-furnished civilian ID, proof of insurance and current registration must be presented to the NIST Security Office.