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Dr. Han

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MS-DIAL:data-independent MS/MS deconvolution for comprehensive matabolome analysis
Õâ¸öMS-DIALÊÇÒÇÆ÷Ãû³Æ£¿»¹ÊÇÖÊÆ×ʲôµÄÒâ˼£¿ÁíÍâdeconvolution ÔÚÕâÀïÊÇʲôÒâ˼£¿ÊÇ¡°¾í»ý¡±£¬ÕâÊÇʲôÃû´Ê£¿
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The Key

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MS-DIAL was launched as a universal program for untargeted metabolomics that supports multiple instruments (GC/MS, GC/MS/MS, LC/MS, and LC/MS/MS) and MS vendors (Agilent, Bruker, LECO, Sciex, Shimadzu, Thermo, and Waters). Common data formats such as netCDF (AIA) and mzML, can also be managed in our project. In addition, we released several MSP files including both EI- and MS/MS spectra as a ¡®start-up kit¡¯. Moreover, MS-DIAL internally has a version of Fiehn lab¡¯s GC/MS database (oriented by FAME RI index), and in silico retention time- and MS/MS database for LC/MS/MS based lipidomics. The isotope labeled tracking can also be executed in LC/MS project. It features (1) spectral deconvolution for both GC/MS and data-independent MS/MS, (2) streamlined criteria for peak identification, (3) support of all data processing steps from raw data import to statistical analysis, and (4) user-friendly graphic user interface.

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The Key

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MS-dideÊÇ×÷Ϊ·Ç°ÐÏò´úл×éѧͨÓóÌÐòÍÆ³öµÄ£¬ËüÖ§³Ö¶àÖÖÒÇÆ÷(GC/MS¡¢GC/MS/MS¡¢LC/MSºÍLC/MS/MS)ºÍMS¹©Ó¦ÉÌ(Agilent¡¢Bruker¡¢LECO¡¢Sciex¡¢Shimadzu¡¢ThermoºÍWaters)¡£ÎÒÃǵÄÏîÄ¿ÖÐÒ²¿ÉÒÔ¹ÜÀí³£ÓõÄÊý¾Ý¸ñʽ£¬ÈçnetPDF(AIA)ºÍmzML¡£´ËÍ⣬ÎÒÃÇ»¹·¢²¼ÁËһЩMSPÎļþ£¬°üÀ¨EIºÍMS/MS¹âÆ×£¬×÷Ϊһ¸ö¡°Æô¶¯¹¤¾ß°ü¡±¡£´ËÍ⣬MS-DideÄÚ²¿»¹ÌṩÁËFiehnʵÑéÊÒµÄGC/MSÊý¾Ý¿â(ÒÔÃûÓþRIÖ¸ÊýΪµ¼Ïò)£¬ÒÔ¼°»ùÓÚLC/MS/MSµÄÖ¬·¾×éѧµÄ¹è±£³Öʱ¼äÊý¾Ý¿âºÍMS/MSÊý¾Ý¿â¡£Í¬Î»Ëرê¼Ç¸ú×ÙÒ²¿ÉÒÔÔÚLC/MSÏîÄ¿ÖнøÐС£Ëü¾ßÓÐÈçÏÂÌØµã£º(1)GC/MSºÍÊý¾ÝÎÞ¹ØMS/MSµÄ¹âÆ×·´ñÞ»ý£»(2)¼ò»¯µÄ·åֵʶ±ð±ê×¼£»(3)Ö§³Ö´ÓԭʼÊý¾Ýµ¼È뵽ͳ¼Æ·ÖÎöµÄËùÓÐÊý¾Ý´¦Àí²½Ö裻(4)Óû§ÓѺõÄͼÐÎÓû§½çÃæ¡£

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The Key

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Deconvolution is a process designed to remove certain degradations from signals e.g. to remove blurring from a photograph that was originally taken with the wrong focus (or with camera shake). ·´ñÞ»ýÊÇÒ»¸ö¹ý³Ì£¬Ö¼ÔÚÏû³ýijЩÍË»¯Ðźţ¬ÀýÈ磬Ïû³ýÄ£ºýµÄÕÕÆ¬£¬×î³õ²ÉÈ¡ÁË´íÎóµÄ½¹µã(»òÏà»ú¶¶¶¯)¡£

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Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ Dr. Han µÄÖ÷Ìâ¸üÐÂ
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