Accurate identification of dimers from α-pinene oxidation using high-resolution collision-induced dissociation mass spectrometry

2020 ◽  
Vol 55 (6) ◽  
pp. e4508
Author(s):  
Kanako Sekimoto ◽  
Daisuke Fukuyama ◽  
Satoshi Inomata
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Collision Induced Dissociation ◽  
Accurate Identification

scholarly journals Discovery of Cisplatin Binding to Thymine and Cytosine on a Single-Stranded Oligodeoxynucleotide by High Resolution FT-ICR Mass Spectrometry

Molecules ◽  
2019 ◽  
Vol 24 (10) ◽  
pp. 1852 ◽  
Author(s):  
Wenjuan Zeng ◽  
Yanyan Zhang ◽  
Wei Zheng ◽  
Qun Luo ◽  
Juanjuan Han ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
Cyclotron Resonance ◽  
Collision Induced Dissociation ◽  
Ion Cyclotron Resonance ◽  
Top Down ◽  
Binding Models ◽  
Cellular Dna ◽  
Ft Icr Ms ◽  
Ft Icr

The clinically widely-used anticancer drug, cisplatin, binds strongly to DNA as a DNA-damaging agent. Herein, we investigated the interaction of cisplatin with a 15-mer single-stranded C,T-rich oligodeoxynucleotide, 5′-CCTT4CTT7G8C9T10TCTCC-3′ (ODN15), using ultra-high resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) in conjunction with tandem mass spectrometry (top-down MS). Top-down MS analysis with collision-induced dissociation (CID) fragmentation of the mono-platinated and di-platinated ODN15 provided abundant and informative Pt-containing or Pt-free a/[a − B], w and internal fragments, allowing the unambiguous identification of T4, T7, C9, and T10 as the platination sites on the cisplatin-ODN15 adducts. These results revealed that, in addition to the well-established guanine site, the unexpected thermodynamic binding of cisplatin to cytosine and thymine bases was also evident at the oligonucleotide level. Furthermore, the binding models of cisplatin with cytosine and thymine bases were built as the Pt coordinated to cytosine-N(3) and thymine-N(3) with displacement of the proton or tautomerization of thymine. These findings contribute to a better understanding of the mechanism of action of cisplatin and its preference for gene loci when the drug binds to cellular DNA, and also demonstrate the great potential and superiority of FT-ICR MS in studying the interactions of metallodrugs with large biomolecules.

scholarly journals MALDI-TOF mass spectrometry and high-resolution melting PCR for the identification of Mycoplasma bovis isolates

2021 ◽  
Vol 17 (1) ◽  
Author(s):  
Aric J. McDaniel ◽  
Rachel J. Derscheid
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Melting ◽  
Clinical Manifestations ◽  
Mycoplasma Bovis ◽  
Pcr Assay ◽  
Accurate Identification ◽  
Maldi Tof Ms ◽  
Maldi Tof ◽  
Tof Ms

Abstract Background Mycoplasma bovis is an important pathogen of cattle worldwide. Many different clinical manifestations of infection can occur, including respiratory disease, arthritis, and mastitis, causing heavy losses to beef and dairy industries. Because Mycoplasma species are slow-growing and fastidious, traditional identification methods are not cost- or time-effective, and improved methods are sought to streamline laboratory processes. High-resolution melting PCR (HRM-PCR) and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) are 2 relatively recent tools that are rapid and inexpensive to use; we tested 9 isolates of M. bovis using both assays. The HRM-PCR assay used universal mycoplasma primers for the 16S–23S intergenic spacer region (IGSR). Results The resulting melting profiles of the field isolates were indistinguishable from the reference strain, indicating accurate identification. For the MALDI-TOF MS, each M. bovis isolate was accurately identified. Mycoplasma arginini and Mycoplasma alkalescens isolates did not identify as M. bovis when tested by either assay. Conclusions Our work shows that either assay could be used to identify unknown M. bovis isolates. For future work, the MALDI-TOF MS library should be expanded to include more mycoplasmas, and the HRM-PCR assay should be tested on additional mycoplasmas to ensure that the melting profiles are sufficiently distinctive.

scholarly journals Characterization of MS/MS Product Ions for the Differentiation of Structurally Isomeric Pesticides by High-Resolution Mass Spectrometry

Toxics ◽  
2018 ◽  
Vol 6 (4) ◽  
pp. 59 ◽  
Author(s):  
Alberto Nuñez ◽  
Yelena Sapozhnikova ◽  
Steven Lehotay
Keyword(s):  
Mass Spectrometry ◽  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Structural Similarity ◽  
Data Interpretation ◽  
Spectrometric Analysis ◽  
Accurate Identification ◽  
Pesticide Monitoring ◽  
Monitoring Programs ◽  
Product Ions

Structural isomeric pesticides are used in agriculture and may be challenging to differentiate for accurate identification in pesticide monitoring programs. Due to structural similarity, isomeric pesticides are difficult to separate chromatographically, and thus, their accurate identification may rely solely on mass spectrometric analysis (MS). In this study, we challenged the ability of high-resolution quadrupole-orbitrap (Q-Orbitrap) mass spectrometry to produce and evaluate the tandem mass spectrometry (MS/MS) product ions for the selected five pairs of isomeric pesticides from different classes: Pebulate and vernolate, methiocarb and ethiofencarb, uniconazole and cyproconazole, sebuthylazine and terbuthylazine, and orbencarb and thiobencarb. The use of Q-Orbitrap instrument with a mass error <3 ppm allowed proposed elucidation of the product ion structures with consideration of the ion formulae, data interpretation, and literature searches. Product ions unique to pebulate, vernolate, methiocarb, ethiofencarb, and uniconazole were observed. Elucidation of the observed MS/MS product ion structures was conducted, and the fragmentation pathways were proposed. This information is valuable to increase selectivity in MS/MS analysis and differentiate isomeric pesticides, and thereby reduce the rates of false positives in pesticide monitoring programs.

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