SPECIFICATION. Bench top triple quadrupole Mass Spectrometry System coupled to a gas performance Chromatography (GC-MS/MS)

Transcription

1 SPECIFICATION Bench top triple quadrupole Mass performance Chromatography (GC-MS/MS) 1. Scope These specifications describe the requirements for a bench top triple quadrupole mass spectrometry system coupled to capillary gas chromatography (GC-MS/MS) for quantitative and qualitative persistent organic contaminants (POPs) analysis and other emerging organic contaminants in marine environmental matrices (water, sediments and biota). The instrument shall provide robustness, high sensitivity and selectivity to meet the EU guidelines for POPs and other emerging contaminants. The GC-MS/MS System will strongly assist in the implementation of the current Agency regular environment programs at IAEA Environmental Laboratories. 2. Definitions, Acronyms, and Abbreviations The following definitions, acronyms, and abbreviations shall apply throughout this Specification unless defined otherwise hereinafter: MS shall mean Mass Spectrometer; GC shall mean Gas Chromatography; MRM shall mean Multiple Reaction Monitoring; µm shall mean Micrometer; m/z shall mean Mass-to-charge Ratio; AMU shall mean Atomic Mass Unit; EI: electron impact CI shall mean Chemical Ionization; CID shall mean Collision Induced Dissociation; and RSD shall mean Relative Standard Deviation. IDL shall mean instrument detection limit pg: picogram fg: femtogram 3. Requirements 3.1. Functional and Performance Requirements The GC-MS/MS shall meet the following functional and performance requirements: The tandem quadrupole mass spectrometer shall be compatible with capillary GC columns for high sensitivity trace level analysis and be able to work in EI and CI; The tandem quadrupole mass spectrometer shall be able to quickly switch between MRM and full scan MS acquisition mode to allow precise quantification and qualitative analysis in a single run; The GC-MS/MS shall provide high sensitivity and selectivity to meet the EU guidelines for pesticide and other emerging contaminants; femtogram sensitivity Page 1 of 7

2 Performance specification with capillary injector using helium as carrier gas shall be as given below or better: Mode Test Specification EI full scan 1 pg octafluoronaphtalene (OFN) from m/z 50 S/N 300 :1 to 300 for m/z 272 EI MRM 100 fg OFN for m/z IDL calculated for at least 8 consecutive S/N 7000 :1 IDL < 4fg injection of 10 fg OFN EI MRM precision 10 replicate (sequential) injections of 100 fg Peak area RSD<8% OFN in EI MRM mode (m/z ) PCI MRM 5 pg Benzophenone (BZP) for m/z S/N 2500 :1 NCI SIM 100 fg OFN for m/z 272 S/N 2000: The gas chromatography system (GC) of the GC-MS/MS shall be suitable for operation to the above MS/MS system and compatible with the software controlling the MS/MS system The cleaning and maintenance of the ion source shall be simple The GC system shall come with a backflush technology to remove high-boiling compounds to reduce GC and mass spectrometry maintenance The system shall come with an auto injector and carousel. 3.2 Technical Requirements The MS/MS detector of the GC-MS/MS shall meet the following requirements: The GC-MS/MS shall be equipped with a triple quadrupole detector to perform quantitative and qualitative analysis in a single run; The mass spectrometer shall include an EI source, and a chemical ionization (CI) to work in positive and negative chemical ionization The quadrupole detectors shall have a robust design with appropriate mechanical tolerances and minimum coefficient of thermal expansion to ensure highest mass stability with realigned or no pre-filters to ensure excellent focusing of ions into all the quadrupoles for high sensitivity and resolution; The mass spectrometry shall be capable of simultaneous scan and MRM. The ability to switch between MS (full scan) and MS/MS (including MRM, product ion scanning, parent ion scanning and neutral loss scanning) acquisition in some few seconds to ensure full compatibility for quantitative and qualitative applications in the same run shall be included; Page 2 of 7

3 Analyzer MS-MS specification The minimal working mass range (m/z) shall be from 10 amu up to 1050 amu or more with the following operating scan modes: Full scan MS, selected ion monitoring in both Q1 and Q3, precursor ion scan, product ion scan, neutral loss scan, selected ion monitoring (SIM), multiple reaction monitoring (MRM), high sensitivity product ion scan for library confirmation at trace level, scan for structural elucidation and unambiguous confirmation; Ionization modes: The ionization source shall include electronic ionization (EI) and positive and negative chemical ionization (CI); switching back and forth between CI and EI sources shall be relatively fast within a half day The standard ion source (highly efficient electron multiplier) shall have the highest sensitivity and resolution while giving the tightest and comprehensive specifications for linearity (5 orders of dynamic range) and stability; The ion source shall be computer controlled, supporting manual and automatic tuning; source temperature up to 350 C or more with quick user change over for EI/CI mode (within ½ day) and Auto aligned with dual filament for EI Mass Analyzer/Filters: It shall be based on Quadrupole ideally without any pre and post filters and high ion transmission efficiency to ensure the stability performance and high sensitivity. It shall be easier to tune and shall stay tuned for longer time and shall offer efficient transmission from q1 to q2 and q2 to q The quadrupole shall be sufficiently robust to operate at high temperature (at least 150C) to allow cleaning of any contaminants The ion optics heated to 135 deg C, to ensure no cold spots Collision cell: linear configuration and axial acceleration design for high speed MS/MS analysis, with a preferential use of helium quench gas stream, to reduce the neutral noise. MS/MS capability shall be available via collision induced dissociation (CID) and the collision cell shall be capable of doing MRM analysis with shortest dwell time (minimum 1 msec) without sacrificing sensitivity and eliminate cross-talk to enable multiple MRM transition studies within a single run. The system shall be able to measure at least 750 MRM in one second; The collision energy shall be selectable at least up to 60 ev Resolution: Better than 0.7 amu with mass axis stability of ±0.1 amu over 24 hour period or better. The minimum scan speed shall be equal to or more than 6,000 amu/s, with user selectable scan speed to allow rapid and high quality multicomponent MRM data; Electron energy: 10 to 300 Electron Volt (EV) users selectable or higher Detector: Extended dynamic range Electron Multiplier or off-axis high-energy detector with configuration to direct the charged ion of interest away from the neutrals Page 3 of 7

4 Independently GC heated GC/MS interface Auto-tuning in all ionization modes and manual tuning shall be allowed; the system shall remain tuned for longer time avoiding tuning for better system performance All source parameters shall be adjustable through software; Vacuum system: The turbo molecular pump shall be dual stage air cooled with high capacity (at least for a total gas flow up to 250 ml/min) for fast vacuum and easy and quick change over from EI to CI; the vacuum pump shall be equipped with filter kit systems to trap the exhaust gases from the pump, avoiding to be vented to the atmosphere outside the laboratory; and The Contractor shall certify support by the manufacturer of the pumping installations (in particular of the turbo molecular type) for at least 10 years Fore line pump: dual-stage rotary vane; voltage 230V (same as GC voltage). Gas chromatography system: Systems shall be installed with a split/splitless injector with a pressure range of psi and a programmable temperature vaporizer (PTV) injector GC shall have provision of Electronic Pressure Control (EFC) for all the pneumatic parameters with pressure range of 150 psi for use of wide variety of capillary columns The GC shall be equipped with the capillary flow backflush technology to minimize chemical noise and reduce contamination of the mass spectrometry source. The backflush shall be available in pre column, mid-column or post-column mode The injection port septa and liners shall be able to be changed without venting the MS. Replacement timing shall be kept by the software The GC shall be able to work with both, constant flow and constant pressure mode. A system providing constant retention time, even after column change or maintenance, will be an asset The mass spectrometer shall support the twin-line option of having 2 capillary columns installed with two different injectors, with the option of selecting the column connected to the ion source without venting the MS, and without loss of sensitivity The GC-MS/MS system shall have a saving mode for reduced consumption of helium gas and change to nitrogen carrier gas during system standby. Autosampler: The auto sampler of the GC-MS/MS shall meet the following requirements: Page 4 of 7

5 The auto-sample injector shall have syringe speed options of fast and slow and plunger speed options of slow, medium and fast to allow for injection of samples in a wide range of viscosity It shall have reproducibility lower than 0.4 % RSD with variable injection volumes between 0.1 to 5 µl, in 0.1 µl increments with excellent sample recovery The auto-sampler shall enable samples in conical bottom (tapered) vials of 10 X 32 mm At least 100 sample vials of 1.8 ml capacity with programmable needle wash before and after injection, and sample cooling facility shall be included The carousel shall hold up great solvent capacity (> 4ml-solvent) and waste vials for thorough syringe rinsing between samples The auto injector controlling program shall be flexible and allow for temporary change of sample sequence In addition to making traditional injections, the auto injector shall be able to perform injection in solvent flush mode (air-sample-air-solvent) or solvent flush with a second solvent mode (air-sample air-internal standard-air-second solvent). These modes shall be supported to allow for analysis of samples containing a wide boiling point range and for the addition of internal standard from a vial on the carrousel The samples in the auto-sampler shall be kept at constant temperature, with a temperature programmable setting ranging from 4 to 20 o C The needle height control shall be programmable in 0.1 mm increments; and The auto-sampler and the carousel shall be automated controlled through GC-MS/MS software Additional items: A GC-MS/MS start-up kit as standards for EI and CI, including, the essential spares and consumables for the ion source, analyzer, gas chromatography system, column for pesticide analysis, vials; Also a complete kit of tools for handling and servicing of any part of the GC-MS/MS (spanner, Allen keys, drivers); PC based data system with all required software, monitor, color laser printer and an English language keyboard. The GC-MS/MS shall be supplied with easy to use control of all the modules of GC and MS and acquisition software, and at least one library (original NIST library) for identifications of pesticides and their metabolites and emerging contaminants using MS data. The software shall have new compound acceptance criteria as latest EU directives and automated quantitative data processing features. It shall also include self-diagnosis and auto-tuning. The shelf-diagnosis feature of the software shall enable diagnosis of the mass spectrometer and all connected GC units. To facilitate the export of the data, the software shall be compatible with Windows. The files of acquisition of the data shall have to be usable for the EXCEL spread sheet; and Page 5 of 7

6 Free and unlimited number of software licenses for Windows Desirable features for the GC-MS/MS: Pre-configured and optimized methods, with reference standards, for analysis of pesticide residues and other emerging contaminants; and A MRM list of at least 1000 compounds with a minimum of 4 different MRM for each compounds to allow better adaptation of the methods in different matrixes. 4. Marking The GC-MS/MS shall have all safety markings in the English (mandatory) and French (optional) languages. 5. Quality Requirements The GC-MS/MS shall be manufactured, shipped and installed in accordance with the Contractor s ISO quality assurance system or an equivalent quality assurance system. 6. Testing and Acceptance The GC-MS/MS, prior to shipment, shall be tested for conformance of the System with manufacturer s performance specifications and the minimum requirements specified herein; The GC-MS/MS, after installation, shall be tested by the Contractor together with the End-User to demonstrate that the performance meets the manufacturer s performance specifications and the minimum requirements specified herein as determined by the IAEA and the End-User; The results of the above tests on the installed GC-MS/MS shall be documented by the Contractor in an acceptance protocol that shall be signed by the IAEA. If the tests results after installation do not meet the minimum requirements as specified, the manufacturer shall resolve the problem by correcting the installation of the equipment, or if necessary, change the equipment part responsible for the error. 7. Installation and Training 7.1. The Contractor shall install and demonstrate the system at the Marine Environment Laboratories in Monaco; 7.2. The Manufacturer shall complete the installation and validate that the GC-MS/MS system meet all the above specifications and requirements The Contractor shall provide the required training of three (3) IAEA staff in the routine operation and maintenance of all instruments and modules supplied immediately after the installation of the System. Additional on-site advanced training for IAEA staff after six (6) months of the installation is also required. 8. Deliverable Data Items The Contractor shall provide complete sets of operation and servicing manuals with circuit diagrams and circuit descriptions in the English (mandatory) and French (optional) languages, along with Page 6 of 7

7 diagnostic tools including interface cards and software, plus any specialized mechanical tools required for instrument servicing and repair; 9. On-Site Technical Support and (optional) Additional Warranty 9.1. The Contractor shall demonstrate the availability of a good and competent technical support in France or Monaco, and, when a problem is reported The Contractor shall provide free telephone support for the lifetime of the instrument, regardless of whether it is covered under warranty of service contract The instrument model shall be recent enough to guarantee that the part supplies are available for a minimum of ten (10) years after installation The Contractor shall provide the IAEA with all manufacturer s warranties but not limited to a warranty for a period of twelve (12) months from the date after the equipment has been commissioned If required by the IAEA, the Contractor shall provide warranty for the complete equipment, including independent accessories, application, technical support, and an annual maintenance visit for three (3) years following the expiration of the twelve (12) months manufacturer s warranties. Page 7 of 7