数据库名称：isoMETLIN
数据库简述：isoMETLIN
所属国家/地区：United States
数据库主要信息：isoMETLIN enables users to search all computed isotopologues derived from METLIN on the basis of mass-to-charge values and specified isotopes of interest, such as (13)C or (15)N. Additionally, isoMETLIN contains experimental MS/MS data on hundreds of isotopomers. These data assist in localizing the position of isotopic labels within a metabolite. From these experimental MS/MS isotopomer spectra, precursor atoms can be mapped to fragments. The MS/MS spectra of additional isotopomers can then be computationally generated and included within isoMETLIN. Given that isobaric isotopomers cannot be separated chromatographically or by mass but are likely to occur simultaneously in a biological system, we have also implemented a spectral-mixing function in isoMETLIN. This functionality allows users to combine MS/MS spectra from various isotopomers in different ratios to obtain a theoretical MS/MS spectrum that matches the MS/MS spectrum from a biological sample. Thus, by searching MS and MS/MS experimental data, isoMETLIN facilitates the identification of isotopologues as well as isotopomers from biological samples and provides a platform to drive the next generation of isotope-based metabolomic studies.
建立年份：2014
联系信息：Contact information
University/Institution:
Washington University in St. Louis
Address:
Department of Chemistry, Washington University in St. Louis , St. Louis, Missouri 63130, United States.
City:
Province/State:
Country/Region:
United States
Contact name (PI/Team):
Julijana Ivanisevic
Contact email (PI/Helpdesk):
jane.doe@jdcorp.com
