Rapid Communications in Mass Spectrometry 

About: Rapid Communications in Mass Spectrometry is an academic journal published by Wiley. The journal publishes majorly in the area(s): Mass spectrometry & Electrospray ionization. It has an ISSN identifier of 0951-4198. Over the lifetime, 11341 publications have been published receiving 319530 citations. The journal is also known as: RCM & RCM,.

Guidelines and recommended terms for expression of stable‐isotope‐ratio and gas‐ratio measurement results

Abstract: To minimize confusion in the expression of measurement results of stable isotope and gas-ratio measurements, recommendations based on publications of the Commission on Isotopic Abundances and Atomic Weights of the International Union of Pure and Applied Chemistry (IUPAC) are presented. Whenever feasible, entries are consistent with the Systeme International d'Unites, the SI (known in English as the International System of Units), and the third edition of the International Vocabulary of Basic and General Terms in Metrology (VIM, 3rd edition). The recommendations presented herein are approved by the Commission on Isotopic Abundances and Atomic Weights and are designed to clarify expression of quantities related to measurement of isotope and gas ratios to ensure that quantity equations instead of numerical value equations are used for quantity definitions. Examples of column headings consistent with quantity calculus (also called the algebra of quantities) and examples of various deprecated usages connected with the terms recommended are presented.

Rapid Commun. Mass Spectrom.10. 1629-1637 (1996) Matrix-assisted Laser Desorption/Ionisation Mass Spectrometry in Milk Science

Abstract: The interpretation of the mass spectra of new phosphorus containing organic compounds is presented. In these compounds, the phosphorylated hydrazono group, >C = N-NH-P(X)(OR)2, (X = O, S; R = CH3, C2H5), is condensed on the annular carbon from the 3-methyl-2(3H)benzoxazolone ring. Elucidation of the fragmentation pathways was aided by exact mass measurements and the observation of metastable transitions. © 1997 John Wiley & Sons, Ltd.

PEAKS: powerful software for peptide de novo sequencing by tandem mass spectrometry

Abstract: A number of different approaches have been described to identify proteins from tandem mass spectrometry (MS/MS) data. The most common approaches rely on the available databases to match experimental MS/MS data. These methods suffer from several drawbacks and cannot be used for the identification of proteins from unknown genomes. In this communication, we describe a new de novo sequencing software package, PEAKS, to extract amino acid sequence information without the use of databases. PEAKS uses a new model and a new algorithm to efficiently compute the best peptide sequences whose fragment ions can best interpret the peaks in the MS/MS spectrum. The output of the software gives amino acid sequences with confidence scores for the entire sequences, as well as an additional novel positional scoring scheme for portions of the sequences. The performance of PEAKS is compared with Lutefisk, a well-known de novo sequencing software, using quadrupole-time-of-flight (Q-TOF) data obtained for several tryptic peptides from standard proteins.

From mass to structure: an aromaticity index for high‐resolution mass data of natural organic matter

Abstract: Recent progress in Fourier transform ion cyclotron resonance mass spectrometry (FTICRMS) provided extensive molecular mass data for complex natural organic matter (NOM). Structural information can be deduced solely from the molecular masses for ions with extreme molecular element ratios, in particular low H/C ratios, which are abundant in thermally altered NOM (e.g. black carbon). In this communication we propose a general aromaticity index (AI) and two threshold values as unequivocal criteria for the existence of either aromatic (AI > 0.5) or condensed aromatic structures (AI >= 0.67) in NOM. AI can be calculated from molecular formulae which are derived from exact molecular masses of naturally occurring compounds containing C, H, O, N, S and P and is especially applicable for substances with aromatic cores and few alkylations. In order to test the validity of our model index, AI is applied to FTICRMS data of a NOM deep-water sample from the Weddell Sea (Antarctica), a fulvic acid standard and an artificial dataset of all theoretically possible molecular formulae. For graphical evaluation a ternary plot is suggested for four-dimensional data representation. The proposed aromaticity index is a step towards structural identification of NOM and the molecular identification of black carbon in the environment.