the latter for the first time, and structures were confirmed by elemental analysis and mass spectrometry; accurate mass measurements showed that carbon monoxide was lost from the molecular ions; prominent peaks in the mass spectrum of both cyclic peptides are otherwise consistent with those reported ...
the latter for the first time, and structures were confirmed by elemental analysis and mass spectrometry; accurate mass measurements showed that carbon monoxide was lost from the molecular ions; prominent peaks in the mass spectrum of both cyclic peptides are otherwise consistent with those reported ...
For metabolite identification, peaks were deconvoluted using AMDIS software and identified using the following approaches: retention indices (RI) relative to n-alkanes (C6–C20), mass spectrum matching to National Institute of Standards and Technology (NIST) and WILEY libraries, and available authentic...
In contrast to the DPI methods, all the MRM information was generated in single spectrum. Similar with tion times of DPI 14.4 manedth1o6d.3, mthienpineatkheinMteRnsMitimesoodfemw/ezr3e3a3lsaonsdam34e0(Ffriogm. 3BB)Q. WB eanadlsoBcQoBm-dp7arlaebdetlheedSt/hNioolsf at reten- ...
Matching of retention indices (RI) obtained from 1 D and 2 D sep- aration was used for compound identification together with acquired mass spectrumcomparison with established MS database. 2. Materials and methods 2.1. Materials Shiraz wine (Lindeman’s, Victoria, Australia; 2010 Vintage) was...
spectrum derived from selenium isotopes and the need to calcu- late relative isotope abundance of molecular ions. To overcome the complicated quantification procedure, a new stable isotope labeled selenomethionine is required for use as an analytical internal stan- dard. The present paper describes ...
SCIENTIFIC REPORTS | 5 : 9553 | DOI: 10.1038/srep09553 2 www.nature.com/scientificreports Table 2 | Quantification of some abundant and bioactive com- pounds in Luzhoulaojiao liquor L9 Compound Concentration (mg/L) Ethyl hexanoate Ethyl acetate Ethyl lactate Hexanoic acid Butanoic acid Ethyl ...
Five perfluorocarboxilic acids (compounds 54–58) were also detected with a confidence level of 1. Comparing the obtained non-target results with standard mix runs and the fragmentation patterns of targeted DDA MS/MS spectrums, it was noticed that in non-targeted DDA acquisition fragments, the ...
(EI) mode in a scanning range of 40–350m/z. The split ratio was 1:20. Separated volatiles were identified by comparing the mass spectra with those from NIST27 and NIST147 mass spectrum libraries and verified by comparison with retention indices extracted fromwww.pherobase.com, accession 12 ...
This study suggests a set of 16 biomarkers that could be used to not only predict IBS, but also monitor its progression [13]. Wang et al. analysed stool samples of autistic spectrum disorder (ASD) children and healthy, age-matched controls for short chain fatty acids, phenols, and ammonia...