iMatch2: Compound identification using retention index for analysis of gas chromatography–mass spectrometry data
نویسندگان
چکیده
منابع مشابه
iMatch: a retention index tool for analysis of gas chromatography-mass spectrometry data.
A method was developed to employ National Institute of Standards and Technology (NIST) 2008 retention index database information for molecular retention matching via constructing a set of empirical distribution functions (DFs) of the absolute retention index deviation to its mean value. The effects of different experimental parameters on the molecules' retention indices were first assessed. The...
متن کاملanalysis of ruin probability for insurance companies using markov chain
در این پایان نامه نشان داده ایم که چگونه می توان مدل ریسک بیمه ای اسپیرر اندرسون را به کمک زنجیره های مارکوف تعریف کرد. سپس به کمک روش های آنالیز ماتریسی احتمال برشکستگی ، میزان مازاد در هنگام برشکستگی و میزان کسری بودجه در زمان وقوع برشکستگی را محاسبه کرده ایم. هدف ما در این پایان نامه بسیار محاسباتی و کاربردی تر از روش های است که در گذشته برای محاسبه این احتمال ارائه شده است. در ابتدا ما نشا...
15 صفحه اولIdentification of volatile organic compounds of some Trichoderma species using static headspace gas chromatography-mass spectrometry
Fungi release wide spectrum of volatile organic compounds (VOCs) that belong to several chemical groups with different biochemical origins such as monoterpenes, sesquiterpenes, alcohols, aldehydes, aromatic compounds, esters, furans, ketones, sulfur and nitrogen compounds. Trichoderma species are the most studied fungal biocontrol agents and are successfully used as biofungicides and biofertili...
متن کاملComparative analysis of mass spectral matching-based compound identification in gas chromatography-mass spectrometry.
Compound identification in gas chromatography-mass spectrometry (GC-MS) is usually achieved by matching query spectra to spectra present in a reference library. Although several spectral similarity measures have been developed and compared using a small reference library, it still remains unknown how the relationship between the spectral similarity measure and the size of reference library affe...
متن کاملUse of boiling point–Lee retention index correlation for rapid review of gas chromatography-mass spectrometry data
Gas chromatographic (GC) retention indices are useful for reviewing mass spectral library searches for the tentative identification of organic compounds. If the known GC retention index (RI) of a compound that ranks high on the (gas chromatography-mass spectrometry) GC-MS library search “hit list” matches the RI of the unknown, there is a strong presumption that a correct identification has bee...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Chromatography A
سال: 2014
ISSN: 0021-9673
DOI: 10.1016/j.chroma.2014.02.049