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请问岛津数据库里面有*.SPC格式文件吗?岛津数据库里还有其它格式的文件?谢谢

气质联用(GCMS)

  • 请问岛津数据库里面有*.SPC格式文件吗?岛津数据库里还有其它格式的文件?谢谢。
    +关注 私聊
  • 安平

    第1楼2021/11/16

    应助达人

    shimadzu的谱库文件由多个文件组成。标准谱库和用户自检谱库的文件类型有所不同。

    *.lib是主文件

    *.spc 存放质谱图
    *.fom 存放分子式
    *.name 存放组分名称。

    下面引自说明书

    NIST20-1.LIB Includes header information about the NIST Library and compound information, including molecular weights and CAS registration numbers.
    NIST20-1.FOM Contains compound composition formulas.
    NIST20-1.SPC Contains spectra information for compounds. It uses it to calculate the similarity index by the similarity search.
    NIST20-1.NAM Contains compound names.
    NIST20-1.STR Contains molecular structures of compounds.
    NIST20-1.NCV Contains index information to facilitate access to the database.
    NIST20-1.ADD Contains spectra information for compounds. It uses it in the display and the report of the search result.
    NIST20-1.C2S Contains index information referred to molecular structure in this library from private library.

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  • symmacros

    第2楼2021/11/16

    应助达人

    非常感谢安平老师!

    安平(byron1111) 发表: shimadzu的谱库文件由多个文件组成。标准谱库和用户自检谱库的文件类型有所不同。

    *.lib是主文件

    *.spc 存放质谱图
    *.fom 存放分子式
    *.name 存放组分名称。

    下面引自说明书

    NIST20-1.LIB Includes header information about the NIST Library and compound information, including molecular weights and CAS registration numbers.
    NIST20-1.FOM Contains compound composition formulas.
    NIST20-1.SPC Contains spectra information for compounds. It uses it to calculate the similarity index by the similarity search.
    NIST20-1.NAM Contains compound names.
    NIST20-1.STR Contains molecular structures of compounds.
    NIST20-1.NCV Contains index information to facilitate access to the database.
    NIST20-1.ADD Contains spectra information for compounds. It uses it in the display and the report of the search result.
    NIST20-1.C2S Contains index information referred to molecular structure in this library from private library.

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