A Strategy for the Determination of the Elemental Composition by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Based on Isotopic Peak Ratios

Miura, Daisuke; Tsuji, Yukiko; Takahashi, K.; Wariishi, Hiroyuki; Saito, Kazunori

doi:10.1021/ac902931x

Cited by 78 publications

(78 citation statements)

References 15 publications

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“…In contrast to MALDI-TOF-IMS, ultra-high-resolution MALDI-FTICR-IMS can be used to directly identify each peak by its exact mass and isotopic fine structure [34,42]. Very close mass peaks can be separated clearly and visualized as independent images by MALDI-FTICR-IMS [43].…”

Section: Maldi-fticr-imsmentioning

confidence: 99%

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Histological analyses by matrix-assisted laser desorption/ionization-imaging mass spectrometry reveal differential localization of sphingomyelin molecular species regulated by particular ceramide synthase in mouse brains

Sugimoto

Shimizu

Yoshioka

et al. 2015

Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biolog

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Sphingomyelin (SM) is synthesized by SM synthase (SMS) from ceramide (Cer). SM regulates signaling pathways and maintains organ structure. SM comprises a sphingoid base and differing lengths of acyl-chains, but the importance of its various forms and regulatory synthases is not known. It has been reported that Cer synthase (CerS) has restricted substrate specificity, whereas SMS has no specificity for different lengths of acyl-chains.We hypothesized that the distribution of each SM molecular species was regulated by expression of the CerS family. Thus, we compared the distribution of SM species and CerS mRNA expression using molecular imaging. Spatial distribution of each SM molecular species was investigated using ultra-high-resolution imaging mass spectrometry (IMS).IMS revealed that distribution of SM molecular species varied according to the lengths of acyl-chains found in each brain section. Furthermore, a combination study using in situ hybridization and IMS revealed the spatial expression of CerS1 to be associated with the localization of SM (d18:1/18:0) in cell body-rich gray matter, and CerS2 to be associated with SM (d18:1/24:1) in myelin-rich white matter. Our study is the first comparison of spatial distribution between SM molecular species and CerS isoforms, and revealed their distinct association in the brain. These observations were demonstrated by suppression of CerS2 using siRNA in HepG2 cells; that is, siRNA for CerS2 specifically decreased C22 very long-chain fatty acid (VLCFA)-and C24 VLCFA-containing SMs. Thus, histological analyses of SM species by IMS could be a useful approach to consider their molecular function and regulative mechanism.

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Section: Maldi-fticr-imsmentioning

confidence: 99%

“…These limitations make identification of each peak in IMS by MS/MS very difficult. Conversely, Fourier transform ion cyclotron resonance-mass spectrometry (FTICR-MS) can be used to specifically identify the exact mass and isotopic fine structure of each molecule by its ultra-high-resolution [34,42,43].…”

Section: Introductionmentioning

confidence: 99%

Histological analyses by matrix-assisted laser desorption/ionization-imaging mass spectrometry reveal differential localization of sphingomyelin molecular species regulated by particular ceramide synthase in mouse brains

Sugimoto

Shimizu

Yoshioka

et al. 2015

Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biolog

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“…Deriving the elemental composition is then much simplified, and can be achieved by calculating the individual ratios to the monoisotopic peak [16].…”

Section: Introductionmentioning

confidence: 99%

Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules

2010

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The identification of compounds from mass spectrometry (MS) data is still seen as a major bottleneck in the interpretation of MS data. This is particularly the case for the identification of small compounds such as metabolites, where until recently little progress has been made. Here we review the available approaches to annotation and identification of chemical compounds based on electrospray ionization (ESI-MS) data. The methods are not limited to metabolomics applications, but are applicable to any small compounds amenable to MS analysis. Starting with the definition of identification, we focus on the analysis of tandem mass and MS n spectra, which can provide a wealth of structural information. Searching in libraries of reference spectra provides the most reliable source of identification, especially if measured on comparable instruments. We review several choices for the distance functions. The identification without reference spectra is even more challenging, because it requires approaches to interpret tandem mass spectra with regard to the molecular structure. Both commercial and free tools are capable of mining general-purpose compound libraries, and identifying candidate compounds. The holy grail of computational mass spectrometry is the de novo deduction of structure hypotheses for compounds, where method development has only started thus far. In a case study, we apply several of the available methods to the three compounds, kaempferol, reserpine, and verapamil, and investigate whether this results in reliable identifications.

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“…Modern time-of-flight (TOF) mass spectrometers are capable of acquiring full scan mass spectra at a rate of 500Hz from 50 to 750 m/z and with a mass accuracy <5 ppm with external calibration (Neumann & Böcker, 2010). At the opposite extreme of machinery, Fourier-transform ion-cyclotron-resonance (FTICR) mass spectrometers coupled to liquid chromatography for sample separation reach an unprecedented mass accuracy of <1 ppm m/z and very high mass resolution (Miura et al, 2010). These features are key requirements for successful and unique identification of metabolites.…”

Section: Introductionmentioning

confidence: 99%

Generic Software Frameworks for GC-MS Based Metabolomics

Hoffmann¹,

Stoye²

2012

Metabolomics

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A Strategy for the Determination of the Elemental Composition by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Based on Isotopic Peak Ratios

Cited by 78 publications

References 15 publications

Histological analyses by matrix-assisted laser desorption/ionization-imaging mass spectrometry reveal differential localization of sphingomyelin molecular species regulated by particular ceramide synthase in mouse brains

Histological analyses by matrix-assisted laser desorption/ionization-imaging mass spectrometry reveal differential localization of sphingomyelin molecular species regulated by particular ceramide synthase in mouse brains

Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules

Generic Software Frameworks for GC-MS Based Metabolomics

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