Attachment 1 Specifications.pdf

SPECIFICATIONS

1.0 Specifications Description:

The Grand Forks Human Nutrition Research Center requires a QTOF LC-MS system to conduct in-depth and comprehensive analysis of various aspects related to human nutrition and metabolism. The system must include trapped ion mobility spectrometry (TIMS) and time-of-flight mass spectrometry (TOF), enabling researchers to obtain detailed information about the composition, structure, and dynamics of biological samples.

Bruker TIMS qTOF LC_MS System (Brand Name or equal)

Quantity: 1

Unit Type: Each

Minimum Requirements: The MS instrument must be a high resolution QTOF system (60,000 FWHM at m/z 1222 independent of MS or MS/MS sequencing speed) which will be used in a 4D OMICS data collection modality (chromatography RT, collisional cross sectional value, MS1 and MS2)

• The MS instrument must contain a trapped ion mobility spectrometry (TIMS) analyzer delivering high mobility resolution and true collision cross section (CCS) values for each ion (eg lipid, metabolite or peptide), which is also used to aid in identification as well as MS1, MS2 ions.

• Ion mobility resolution must be user controllable between approximately 50 and 200

• The instrument must be able to perform parallel accumulation to achieve near 100% duty cycle for data dependent MS/MS mode

• The MS instrument must have the Parallel Accumulation Serial Fragmentation (PASEF) functionality

• System must operate in untargeted acquisition mode (eg. PASEF, DIA-PASEF) for discovery experiments and in targeted quantification mode (eg. PRM-PASEF) for target verification/validation

• Must be combined with and integrated software control of nanoelute2 and elutePLUS HPLC and Mass Spectrometer from a single data system

• The MS instrument must utilize CID and nitrogen gas for fragmentation

• The MS instrument with ESI source allowing positive and negative ion detection; the needle of the ESI source has to be on ground potential for easy interface with LC or other ion sources or separation techniques (eg. DART and or CE)

• Nano ESI source must feature captive spray technology to shape the nebulizing gas/spray for maximum ion yield into the Mass Spectrometer

• Quadrupole control system allowing to synchronize quadrupole isolation with mobility elution time for the parent ion

• Ion transfer capillary must be orthogonal to the funnel entrance for improved system robustness

• Sensitivity Requirements o MS: 1pg reserpine S/N>100 RMS o MS/MS: 2.5fmol Flu-Fibrinopeptide S/N 50:1 o TIMS-MS: 50 fg/ul reserpine < 15% RSD

• Isolation and Fragmentation o The instrument must be able to isolate ions with m/z values up to 3000. The quadrupole mass range need to be up to 40,000 m/z.

• Mass resolution o 60,000 FSR (full sensitivity resolution) @ 1222 m/z independent of sequencing speed and in both MS and MS/MS modes

• Scan speed o Up to 50 Hz MS o 50 Hz MS/MS (profile and peak detected spectra to disk) o > 120 Hz in PASEF MS/MS mode with parallel accumulation and serial fragmentation, each precursor ion packet still has 100ms accumulated precursor for each MS/MS event

• Mass accuracy o < 0.8 ppm (calibrated internally) and o 2 ppm (calibrated externally)

• Dynamic range o > 4 orders of magnitude

• m/z range o 20 – 40,000 m/z

• Polarity o Positive and negative ion detection

• Scan functions o Acquisition and display of full MS scan o Acquisition and display of MS/MS spectra o Acquisition and display of TIMS full MS scan o Acquisition and display of PASEF MS/MS spectra

• Advanced functions o Control of target value o Control of ramp time in the TIMS analyzer o Control of accumulation time in the TIMS analyzer o Control of dynamic exclusion o Control of collision cell energy

• Software control o Plugin for different HPLCs (Dionex, Waters, Agilent, Proxeon) o Data processing allow for the detection of features in retention time, mobility and m/z dimension o Parent ion selection algorithm allowing to repeat PASEF MS/MS acquisition when MS/MS S/N is insufficient o Fully automated isotope pattern matching with the generation of a list of the sum formula from both mass accuracy as well as the isotope pattern matching o Extracted Ion Chromatograpms within +/- 0.5-1 mDa error for screening of complex mixtures

• Application software o MS instrument must support otof control/Hystar o MS instrument supports Mascot, MaxQuant, Peaks Studio

• Ion Source and Probes o ESI source o nanoSpray source allowing to enrich the carried gas with organic solvent o API source o ESI flow rate of 1uL/minute-1mL/minute to facilitate flow injection as well as

LC-driven experiments

• Hardware o Ion lens system with possibility to perform In Source-CID experiments o Quadrupole/hexapole system for ion isolation and fragmentation o Ion transfer line with ion funnel system for maximum transmission o A hyperbolic quadrupole mass filter o Ultra-high resolution TOF analyzer with dual stage reflectron, in-flight refocusing optics and advanced temperature compensation o Fast and robust detector with linear response for high dynamic range o Detection system with an analog-to digitizer converter unit allowing recording of the complete analog ion signal o PC-station with complete software o Trapped ion mobility spectrometry analyzer enabling 100% duty cycle, enabling ion mobility separation o Quadrupole control system allowing to synchronize quadrupole isolation with mobility elution time for the parent ion o Ion transfer capillary must be orthogonal to the funnel entrance for improved system robustness

2.0 Place of Delivery

Grand Forks Human Nutrition Research Center, 2420 2nd Avenue North, Grand Forks, North Dakota, 58203

3.0 Delivery Schedule

Delivered and installed within five months after receipt of award.

4.0 Delivery Point of Contact

Derek Bussan, derek.bussan@usda.gov, 701-795-8284

5.0 Additional Requirements

NA

mailto:derek.bussan@usda.gov