كيمياء تحليلية Mass Spectral Library

الموضوع في 'قسم الكيمياء' بواسطة abu-omar, بتاريخ ‏مايو 27, 2008.

  1. abu-omar

    abu-omar مشرف بالجامعة

    إنضم إلينا في:
    ‏أغسطس 16, 2007
    المشاركات:
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    نقاط الجوائز:
    128
    المصدر: Mass Spectral Library
    في منتدى : قسم الكيمياء


    NIST/EPA/NIH Mass Spectral Library 2005
    2005 CD-ROM​




    [​IMG]



    Publisher: Wiley
    Number Of Pages:
    Publication Date: 2005-07-22
    Binding: CD-ROM

    NIST/EPA/NIH Mass Spectral Library is the most popular library for GC/MS instruments, with 190,825 spectra presented.
    This software offers:
    190,825 EI Mass Spectra
    163,198 compounds, 163,195 structures
    121,112 Retention indices of 25,983 Compounds
    5,191 MSMS Spectra
    Spectral search and analysis software


    NIST Standard Reference Database 1A
    NIST/EPA/NIH MASS SPECTRAL LIBRARY (NIST 05)
    and

    NIST MASS SPECTRAL SEARCH PROGRAM
    Version 2.0d

    for use with Microsoft(r) Windows(tm)
    Agilent Technologies ChemStation Version

    System requirements
    This MS search program is a 32-bit applications and thus requires
    Windows NT 4.0, Windows 95, 98, Me, 2000 or XP.

    To install run the program Setup.exe, and then follow instructions.
    This release contains
    190,825 EI spectra for 163,198 compounds
    MS/MS library (nist_msms) with 5,191 spectra (new)
    Retention index library (nist_ri) with 13,295 compounds (new)
    History of the releases:
    Release Number of Number of Number of Number of
    Year spectra (EI) compounds (EI) spectra(MS/MS) compounds (RI)
    1993 74,828 62,235 - -
    1998 129,136 107,866 - -
    2002 174,948 147,198 - -
    2005 190,825 163,198 5,191 25,728

    Some of the latest features in the program and database are:
    New MS/MS browsing window and new MS/MS library
    New Retention index library and retention indexes in Main and Replicates
    libraries (Retention index library contains only structures, no spectra).
    Automatic Retention Index estimation from chemical structure (rigth-click
    spectrum text window, select Properties, Retention Indices.)
    New structural replicates display (in addition to usual CAS number matching)
    select matching method in Options, Replicates.
    Structure searching - the program will find all chemical structures
    similar to the structure of the search spectrum.
    The searching can be done using structural data from the NIST MS database,
    from the user database or from a structure drawn in most chemical drawing
    packages. A structure may be exported to chemical drawing software.
    Structure similarity search algorithm has been changed, now it includes
    homologues recognition which, if successful, makes match factor 1000.
    You will need to rebuild structure search databases in user libraries
    (as you usually need to do after editing a user library containing
    structures.)
    Drag and Drop - Data can be dragged and dropped between windows.
    User Library Structures - This feature has been present for some time,
    but many are unaware of it.
    Compare Views - There are a number of new ways that you can visually
    compare two spectra.
    Direct interaction with a number of chemical drawing packages -
    the clipboard can be used with some of them, most can be used by
    use of intermediate files.
    The NIST MS Search program takes advantages of many normal Windows
    conventions. Look at the context sensitive options on the right mouse
    button click and on buttons at the top of the window.
    New, thermodynamics-base MS Interpreter program version 2.0 replaces
    the previos version.
    A spectrum with a structure may be sent to MS Interpreter by
    right-clicking the windows with a mass spectrum and structure
    and selecting Send To, MS Interpreter.





     
    cyfa18 ،Mohtadi ،Alhashemiah و 4آخرون معجبون بهذا.
  2. مهند حازم

    مهند حازم Well-Known Member

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    الوظيفة:
    طالب جامعي
    مكان الإقامة:
    لبنان


    بارك الله فيك
     
  3. aissa1982

    aissa1982 New Member

    إنضم إلينا في:
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    شكرا لك الاخ ابو عمار على الفرص الرائع. تخصصي هو تحليل النباتات الطبية يهمني كثيرا .
    اريد الحصول على اقراص او كتب تتعلق بهدا المجال . medicinal plant. essential oil analyse extraction
     
  4. ابن العراق

    ابن العراق مشرف قسم الهندسة الكيميائية و الكيمياء العامة إداري

    إنضم إلينا في:
    ‏ابريل 1, 2007
    المشاركات:
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    3,373
    نقاط الجوائز:
    128
    الجنس:
    ذكر


    ماشاء الله عليك ...جزاك الله خير وجعله في ميزان حسناتك , لا تحرمنا من جديدك
    تحياتي لك
    +2

     
  5. abu-omar

    abu-omar مشرف بالجامعة

    إنضم إلينا في:
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    128
    Re: رد : Mass Spectral Library

    thank you also
    i will try to finde whwt you want
     
  6. quintel

    quintel مشرف الطب باللغة الألمانية

    إنضم إلينا في:
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    thanks very much for this posting

    good job!!!
     
  7. momo2

    momo2 New Member

    إنضم إلينا في:
    ‏يونيو 6, 2008
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    0
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    1
    الجنس:
    ذكر


    شكرا لك يا أبو عمر. أقدر المجهود المبذول.
    أنا في حاجة أكيدة إلى هذا البرنامج لكن لا أستطيع تحميله عبر rapidshare (مقطوع في تونس) الرجاء إعادة upload على أو depositfiles.com و شكرا
     
  8. azouzam

    azouzam Active Member

    إنضم إلينا في:
    ‏نوفمبر 9, 2008
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    43


    سلام
    يا ريت تساعدني على تحميل برنامج NIST/EPA/NIH Mass Spectral Library) ) لأني لم أستطع تحميله
     
  9. ندى النديه

    ندى النديه New Member

    إنضم إلينا في:
    ‏يونيو 9, 2008
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    3
    الوظيفة:
    مساعد باحث


    Thank you very much brother for useful library.I understood that it is for “Agilent Technologies ChemStation”. Can you, or any other member, let me know if I can use this library with " Perkin-Elmer" ChemStation"? Any way I have started downloading
    Thanks,Regards
     
  10. Mohtadi

    Mohtadi Active Member

    إنضم إلينا في:
    ‏يونيو 4, 2009
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    233
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    27
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    28
    الجنس:
    ذكر
    الوظيفة:
    باحث بيوتكنولوجيا بحرية
    مكان الإقامة:
    تونس
    Mass Spectral Data

    (doh)
    السلام عليكم
    هذه المراجع فى غاية الاهمية بالنسبة لى
    هلا ساعدتموني على ايجادها

    Wiley Registry™ of Mass Spectral Data, 8th Edition


















    Publisher: Wiley
    Number Of Pages:
    Publication Date: 2005-07-22
    Binding: CD-ROM

    NIST/EPA/NIH Mass Spectral Library is the most popular library for GC/MS instruments, with 190,825 spectra presented.
    This software offers:
    190,825 EI Mass Spectra
    163,198 compounds, 163,195 structures
    121,112 Retention indices of 25,983 Compounds
    5,191 MSMS Spectra
    Spectral search and analysis software


    NIST Standard Reference Database 1A
    NIST/EPA/NIH MASS SPECTRAL LIBRARY (NIST 05)
    and

    NIST MASS SPECTRAL SEARCH PROGRAM
    Version 2.0d

    for use with Microsoft(r) Windows(tm)
    Agilent Technologies ChemStation Version

    System requirements
    This MS search program is a 32-bit applications and thus requires
    Windows NT 4.0, Windows 95, 98, Me, 2000 or XP.

    To install run the program Setup.exe, and then follow instructions.
    This release contains
    190,825 EI spectra for 163,198 compounds
    MS/MS library (nist_msms) with 5,191 spectra (new)
    Retention index library (nist_ri) with 13,295 compounds (new)
    History of the releases:
    Release Number of Number of Number of Number of
    Year spectra (EI) compounds (EI) spectra(MS/MS) compounds (RI)
    1993 74,828 62,235 - -
    1998 129,136 107,866 - -
    2002 174,948 147,198 - -
    2005 190,825 163,198 5,191 25,728

    Some of the latest features in the program and database are:
    New MS/MS browsing window and new MS/MS library
    New Retention index library and retention indexes in Main and Replicates
    libraries (Retention index library contains only structures, no spectra).
    Automatic Retention Index estimation from chemical structure (rigth-click
    spectrum text window, select Properties, Retention Indices.)
    New structural replicates display (in addition to usual CAS number matching)
    select matching method in Options, Replicates.
    Structure searching - the program will find all chemical structures
    similar to the structure of the search spectrum.
    The searching can be done using structural data from the NIST MS database,
    from the user database or from a structure drawn in most chemical drawing
    packages. A structure may be exported to chemical drawing software.
    Structure similarity search algorithm has been changed, now it includes
    homologues recognition which, if successful, makes match factor 1000.
    You will need to rebuild structure search databases in user libraries
    (as you usually need to do after editing a user library containing
    structures.)
    Drag and Drop - Data can be dragged and dropped between windows.
    User Library Structures - This feature has been present for some time,
    but many are unaware of it.
    Compare Views - There are a number of new ways that you can visually
    compare two spectra.
    Direct interaction with a number of chemical drawing packages -
    the clipboard can be used with some of them, most can be used by
    use of intermediate files.
    The NIST MS Search program takes advantages of many normal Windows
    conventions. Look at the context sensitive options on the right mouse
    button click and on buttons at the top of the window.
    New, thermodynamics-base MS Interpreter program version 2.0 replaces
    the previos version.
    A spectrum with a structure may be sent to MS Interpreter by
    right-clicking the windows with a mass spectrum and structure
    and selecting Send To, MS Interpreter.





    [/QUOTE]
     

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