Analytical Instrument Documents

The JMS-S3000 SpiralTOF™ is a MALDI-TOF MS that uses an innovative spiral ion optical system to achieve the highest resolution currently available for a MALDI instrument. Additionally, this system can be equipped with a TOF-TOF option that can acquire high-energy collisioninduced dissociation (HE-CID) product ion spectra for monoisotopically selected precursor ions. The resulting HE-CID product ion spectra provide detailed structural information about compounds like triglycerides by means of charge-remote fragmentation (CRF).1 Tristearin is a triglyceride found in fats that consists of three stearic acid moieties (Fig. 1). In this work, we report the structural analysis of tristearin by using the HE-CID capabilities of the SpiralTOF-TOF.

The JMS-S3000 “SpiralTOF™” is a MALDI-TOF MS that uses an innovative spiral ion optical system to achieve the highest resolution currently available for a MALDI instrument. Additionally, this system can be equipped with a TOF-TOF option that can acquire high-energy collisioninduced dissociation (HE-CID) product ion spectra for monoisotopically selected precursor ions. The resulting HE-CID product ion spectra provide detailed structural information about compounds like triglycerides by means of charge-remote fragmentation (CRF). In this work, we report the structural analysis of triolein, a triglyceride that contains 3 oleic acid moieties (Fig. 1), by using HE-CID capabilities of the SpiralTOF-TOF.

In previous work, we showed that the JEOL SpiralTOFTOF system’s high-energy collision-induced dissociation (HE-CID) is useful for the structural analysis of triglycerides. The resulting HE-CID mass spectra provided detailed information about the fatty acid moieties such as the positions of double bonds, branching, hydroxylation, and oxidation by means of charge-remote fragmentation (CRF). In this work, we report the structural analysis of oxidized triglycerides by HE-CID using the SpiralTOFTOF.

The JMS-S3000 SpiralTOF™, which has a JEOL-patented spiral orbital ion optical system, has a long-flight distance of 17 m and can achieve high-mass resolution. In addition, the electrostatic sectors that constitute the ion optical system can exclude PSD ions, making it possible to acquire a mass spectrum that is less affected by background ions. These features enable accurate mass measurement even in LMW regions[1].

The JMS-S3000 SpiralTOF™ is a MALDI-TOF MS that uses an innovative spiral ion optics system to achieve the highest resolution currently available for a MALDI instrument. Additionally, the JMS-S3000 is available with a TOF-TOF option that acquires high-energy collision-induced dissociation (CID) product-ion spectra for monoisotopically selected precursor ions. In this work, we analyzed a high molecular weight peptide by using the JMS-S3000 SpiralTOF with the TOF-TOF option.

Includes 32 application notes in the following categories: Introduction and Fundamentals, Synthetic Polymers, Small Molecules, Lipids, Peptides and Proteins, Other biomolecules (natural products, oligosaccharides), and JMS-S3000 SpiralTOF bibliography

Tandem mass spectrometry of polymer ions provides valuable information about the nature of individual end-groups, chain architecture (linear / cyclic / branched) and copolymeric microstructure. Using matrix-assisted laser desorption ionization (MALDI) with high energy collision-induced dissociation (HE-CID) tandem time-of-flight analysis (TOF/TOF) can be advantageous for MS/MS polymer analysis. However, the interpretation of the resulting mass spectrum may not be obvious when a number of ion series with low intensity signals are present. In this work, a “remainders of Kendrick mass” (RKM) analysis is used as a rapid post-acquisition data processing tool for TOF/TOF mass spectra in order to visualize and filter the ion series instantly via intuitive point alignments.

Matrix-Assisted Laser Desorption Ionization (MALDI) has been applied to a wide range of analyses and is particularly suitable for the qualitative analysis of high molecular weight samples. On the other hand, MALDI is generally considered unsuitable for low molecular weight compounds because the matrix ions interfere with sample ion detection in the low mass region. However, if these low m/z ions can be separated from each other and distinguished with sufficiently high mass resolving power, then MALDI can be expanded to the analysis of low-molecular-weight compounds. We have demonstrated this by using the JEOL MALDI SpiralTOF mass spectrometer The innovative Spiral orbital technology consisting of 4 sets of toroidal electrical sector and Matsuda plates provides ultra-high mass resolving power combined with high ion transmission. Here we report the use of Spiral technology to collect high mass-resolving power and high mass-accuracy data for eight triazine compounds. Additionally, we report TOF-TOF data obtained with monoisotopic precursor ion selection to provide clear product-ion mass spectra for each compound.

A high-resolution MALDI/TOF-TOF system with unique ion optics is applied to the identification of polymers and polymer additives. Exact mass measurements and isotopic abundances were used to identify elemental compositions. High-energy collision-induced dissociation with monoisotopic precursor selection provided structural information for additives and polymers. The mass accuracy for the sodiated molecule of Irganox 1010 in polymethyl methacrylate (PMMA) was within 1ppm of the calculated m/z (m/z 1199.7733, C73H108O12Na+). The high-energy CID product-ion mass spectrum for sodiated Irganox 1010 shows bond cleavage with little or no rearrangement. Four types of product ions are identified for the high-energy CID product-ion mass spectra of sodiated PMMA ions.

The JMS-S3000 SpiralTOF™ is a MALDI-TOF MS that uses an innovative spiral ion optics system to achieve the highest resolution currently available for a MALDI instrument. As a result, small organic molecules can be analyzed on this system with minimal interferences from the matrix peaks. Additionally, the JMS-S3000 is available with a TOF-TOF option that can acquire highenergy collision-induced dissociation (CID) product ion spectra for monoisotopically selected precursor ions. In this work, we analyzed several small organic molecules by using the JMS-S3000 with the TOF-TOF option.

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