Mass Spectrometry Centre

• Sciex ZenoTOF 7600 LC-MS/MS
• Sciex TripleTOF 6600 LC-MS/MS
• Agilent 8900 ICP-QQQ-MS (ENV)
• Agilent 5977C TDU-GC-MS
• Agilent 7700 ICP-MS
• Agilent 5977A GC-MS
• Agilent 5975C GC-MS
• Agilent 6460C LC-QQQ-MS (SCS)
• Agilent 6475 LC-QQQ-MS (SCS)
• LC-MS/MSAgilent 5975C GC-MS (SCS)
• Thermo Exploris 120

This capillary nanoLC-MS/MS Q-TOF delivers high sensitivity, high acquisition speed and high-resolution MS and MS/MS spectra. Well suited to analysing highly complex proteomic samples, as well as simpler mixtures where accurate targeted quantitation is required.

Quantitation can be achieved by label-free (e.g. SWATH/DIA) or MRM approaches.

Typical applications: Identifying and characterising proteins, and the relative quantitation of selected proteins or whole proteomes.

Specifications: Typical flow rate 6ul/min, injection volume 0.5-10ul, Resolution ~30,000 (both MS and MS/MS mode), MS/MS acquisition rate ~50Hz for IDA mode, up to 200Hz for targeted mode.

The ZenoTOF 7600 is ideal for identifying, characterising and quantitating proteins and peptides, especially in complex mixtures. The new EAD fragmentation mode provides alternative structural information to the more commonly available CID mode.

It delivers a powerful combination of high sensitivity, speed, and resolution enabling analyses of challenging and complex samples. Ultra-fast acquisition rates allow you to collect high-resolution MS/MS data on every detectable analyte in your sample, giving you the data you need to advance your research. It is ideally suited for protein identification, PTM analysis, quantitative global proteomics, protein MW analysis.

Short data acquisition times can be used for Variable Window SWATH Acquisition, allowing thousands of proteins to be quantified in each sample. With a dynamic range in excess of five orders of magnitude, and up to 133 MS/MS events per second, this is our most powerful instrument for proteomic applications.

The Agilent 7700 Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is suitable for trace elemental analysis of several materials, including geological, biological, metallurgic, agricultural and environmental samples.

Its main advantage is that it can rapidly analyse a large number of elements in a single analytical run. Samples can be analysed in either a liquid (solution ICP-MS) or solid form (laser ablation; LA-ICP-MS; using the ASI Resolution 193nm laser). 

The typical lower detection limits for most elements are in the parts per trillion range; however, this is dependent on the analysis mode and sample matrix. The ICP-MS is equipped with collision cell technology (He) for reduction and elimination of polyatomic interferences on difficult-to-analyse elements.

In addition to elemental analysis, the ICP-MS can be used for the determination of isotopic ratios of selected elements to a precision of ±0.2% for isotopic tracing and uranium-lead dating of minerals from rocks such as zircon.

These instruments are used primarily for metabolite profiling. Various types of derivatisation are employed to enable the analysis of organic acids, amino acids, fatty acids, sugars and other volatile compounds.

Solid Phase Micro Extraction (SPME) is an option to analyse non-derivatised volatiles.

Typical applications: metabolomics profiling of extracts from biological samples, mainly with methyl chloroformate derivatisation for general work, but also TMS and methyl esterification for other classes of analyte, e.g. fatty acid methyl esters.

Data analysis is supported by access to the Wiley NIST 2017 Mass Spectral Database (>1 million EI spectra), MassHunter, ChemStation, AMDIS, NIST MS, MassOmics, R and Python.

The University operates an Agilent 8900 ICP-QQQ-MS that can be coupled to our deep-ultraviolet (193 nm) Excimer laser ablation system or LC-MS (for compound-specific elemental analysis).

Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is a technique suitable for trace elemental analysis of several materials, including geological, biological, metallurgical, agricultural and environmental samples.  This technique can analyse a large number of elements simultaneously. Samples can be analysed in either a liquid (solution ICP-MS) or solid form (laser ablation ICP-MS) with typical detection limits for most elements in the parts per trillion range.  We operate an Agilent 8900 Triple-Quad ICP-MS (ICP-QQQ-MS) equipped with collision cell technology (He) for the reduction and elimination of polyatomic interferences and an O2 reaction cell for mass-shifting on difficult-to-analyse elements. We have the option to hyphenate an Agilent 1260 Infinity II bio-inert HPLC for chromatographic separation and speciation of elements.

Our services include:

• Sample preparation, including mounting of solids for laser ablation ICP-MS, and digestion of samples for solution ICP-MS analysis
• Elemental analysis of a wide range of sample types, either by solution or laser ablation ICP-MS

We have previously developed and applied methods that include:

• Wastewater and environmental samples
• Rocks and glasses in volcanic systems
• Geochronology of minerals
• Micro-fossil records of palaeoclimatology and oceanography
• Meteorites and the origins of the Solar System
• Kai moana (paua, cockles, mussels) and aquaculture
• Fish otoliths and life histories
• Plant and wood material
• Animal/human teeth and migration
• Provenancing of archaeological artefacts
• Anti-cancer drugs

The Agilent 6460 Triple Quadrupole LCMS combines the separation power of HPLC with the detection power (i.e. sensitivity and selectivity) of a triple quadrupole instrument for targeted analysis of small molecules in complex samples.

The Agilent Jet Stream technology uses super-heated nitrogen to improve ion generation and desolvation, which leads to greater signal and reduced noise. Fast multiple reaction monitoring (MRM) speeds allow for analysis of over 100 overlapping compounds in a given retention time window.

Triggered MRM (tMRM) combines fast and sensitive MRM quantitation with the generation of a product ion spectrum for library searching and compound screening and confirmation.

Specifications: Mass Range: 5-2,000 m/z, Mass Resolution: 0.7 amu (FWHM).

The Agilent 6475 Triple Quadrupole LCMS combines the separation power of HPLC with the detection power (i.e. sensitivity and selectivity) of a triple quadrupole instrument for targeted analysis of small molecules in complex samples. The Agilent Jet Stream technology uses super-heated nitrogen to improve ion generation and desolvation, which leads to greater signal and reduced noise.

Fast multiple reaction monitoring (MRM) speeds allow for analysis of over 100 overlapping compounds in a given retention time window. Triggered MRM (tMRM) combines fast and sensitive MRM quantitation with the generation of a product ion spectrum for library searching, compound screening and confirmation.

Features

• Mass range: 5-2,000 m/z
• Mass resolution: 0.7 amu (FWHM)
• Ionisation sources: ESI

Considerations

Chromatography columns are not provided; users need to bring their own column to use this instrument.

Limitations

This is a low-resolution mass spec instrument with an m/z range up to 2,000.

Important:

1. New users must be trained by SCS Microcharacterisation Facility staff.
2. Any new method must be approved before being implemented to prevent damage (i.e. changes to mobile phase composition). 
3. Bookings will be for a maximum of seven consecutive days to allow other users access. If more time is required, discuss this with facility staff.
   

Meet your quantitative needs with triple quadrupole performance that gives you superior sensitivity, renowned reliability, and overall system robustness. Agilent 6400 Series Triple Quadrupole LC/MS Systems are proven choices for quantitative applications in pharmaceutical ADME/DMPK studies, biomarker validation, clinical research, food testing, forensics, toxicology, and environmental analyses.

New methods should be discussed with facility staff prior to implementation.  

The Agilent 8890 GC + 5977C MSD is used primarily for metabolite profiling and TDU. A Thermal Desorption Unit (TDU) is a flexible automated solution for thermal desorption and thermal extraction of samples.

The sample preparation and derivatisation techniques are designed to maximise the response of a wide range of metabolites. The raw data output from the GC-MS is analysed using automated mass spectral deconvolution and identification software (AMDIS) against an in-house library of derivatised metabolites. In-house software (R) is used to process data in conjunction with the AMDIS output. 

The Agilent 7890A gas chromatograph at the School of Chemical Sciences (SCS), coupled with an Agilent 5975C mass spectrometer, can be used for the analysis of fatty acids, sterols, alkanes, aldehydes, amines, sugars, sugar alcohols and amino-sugars (mono, di and tri-saccharides), polycyclic aromatic hydrocarbons (PAH), volatile compounds – fragrances, odours, fuel residues, illicit drugs, phthalates, plasticisers, silicones and unknown compounds.

It is currently configured with a non-polar (5-MS) column and an EI source, with the option of other polar columns, as well as a CI source. It has an Agilent autosampler and the NIST08 mass spectral library.

Data analysis is supported by access to MassHunter, ChemStation, AMDIS and NIST MS software. Our services include training for students in operation and maintenance, method development and optimisation. 

The Thermo Scientific Orbitrap Exploris 120 mass spectrometer accelerates your route to both qualitative and quantitative assurance, whether in method development or routine testing. Its unparalleled capability to consistently provide highly sensitive and precise data, coupled with a user-friendly design, sets a new standard to be applied in both non-targeted and targeted projects.

Features

• Enhance resolution and speed with capabilities of up to 120,000 resolution and 22 Hz scan speed.
• Enable MS/MS precursor ion selection with exceptional transmission efficiency across a wide range from m/z 40 to 3,000.
• Perform alternating positive and negative ion scans within a single injection at approximately 1.4 Hz.
• Achieve sub-parts per million (sub-ppm) mass accuracy.

Considerations

Chromatography columns are not included; users are required to provide their own column for use with this instrument. De novo assay setup is also available and should be coordinated with the School of Chemical Sciences mass spectrometry technical team for further discussion and assistance.

Limitations

Ideal for small molecule peptides, this instrument may not be suitable for analysing proteins and large compounds unless they have undergone enzymatic digestion.

Project design/method development

Our experienced team members are available to discuss the options and possibilities for your project and help guide your analysis in the right direction.

Costs

The various instruments available in this core have individual pricing regimes. In some cases, lower rates for self-service access are available.

Booking

Bookings are made through Infinity X.

Infinity X is the booking and billing system used to reserve research platform equipment, services and training. For guidance on accessing or using Infinity X, visit Infinity X booking and billing tool.

Sample requirements

These vary depending upon what instrument and which type of analysis is under consideration. Contact the relevant person listed below to be sure that you have properly addressed the specific sample preparation requirements of your project.

Training requirements

Some mass spectrometers will have a self-use option, predicated on some training being undertaken in advance.

Data analysis

You can liaise with the relevant facility staff member to ensure that you are getting the most out of your dataset. Some data processing software is available through various virtual machines to allow remote data processing by users.  

• BIRU operate a MALDI-TOF for Imaging MS work | Dr Gus Grey, Faculty of Medical and Health Sciences
• ACSRC operate QQQ and Q-TOF instrumentation | Dr Daniel Conole, Faculty of Medical and Health Sciences
• Engineering operate QQQ and GC-MS instrumentation | Dr Jishan Liu (QQQ) or Dr Patricia Cabedo Sanz (GC-MS) in the Faculty of Engineering and Design

• The University of Auckland Mass Spectrometry Hub (MaSH)