nist08版数据库使用说明书.docx

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1、NISTStandardReferenceDatabase1ANISTEPANIHMassSpectra11ibrary(NIST08)andNISTMassSpectra1SearchProgram(Version2.0f)ForUsewithMicrosoft156WindowsUser,sGuideAgi1entTechno1ogies,Inc.ChemStationVersionSEEREVISIONNOTICETheNISTMassSpectrometryDataCenterStephenE.Stein1DirectorEva1uators:AnzorMikaia.Principa1

2、EdwardWhiteV(EI)V1adimirZaikin(EI)DamoZhu(EI)BorisMiIman(MSMS)Va1eriBabishok(RI)IgorZenkevich(RI)Programmers:Peter1instromYuriMirokhinDmitriiTchekhovskoiDocumentationandHe1p.W.GaryMa11ardO.DavjdSparkmanJoanA.SparkmanJune2008U.S.DepartmentofCommerceNationa1InstituteofStandardsandTechno1ogyStandardRef

3、erenceDataProgramGaithersburg,MD20899TheNationa1InstituteofStandardsandTechno1ogy(NIST)usesitsbesteffortstode1iverahigh-qua1itycopyoftheDatabasearxitoverifythatthedatacontainedthereinhavebeense1ectedonthebasisofsoundscientificjudgment.However,NISTmakesnowarrantiestothateffect;andNISTsha11notbe1iab1e

4、foranydamagethatmayresu1tfromerrorsoromissionsIntheDatabase.REVISIONNOTICE:Ag11entTechno1ogies,Inc.hasmodifiedandexpandedtheorigina1documentationprovidedbytheNationa1InstituteofStandardsandTechno1ogytobetterserveitscustomers.Therefore,thecontentsofthismanua1mayhavesignificantdifferencesfromtheorigin

5、a1documentationprovidedbyNIST.1987.1988.1990,1992.1994,1995.1996.1997.1998.1999.2000.2001.2002.2005.28copyrightbytheU.S.SecretaryofCommerceonbeha1foftheUnitedS1atesofAmerica.A11rightsreserved.NopartofthisDatabasemaybereproduced,storedinaretrieva1system,ortransmitted,inanyformorbyanymeans,e1ectronic,

6、mechanica1,photocopying,recording,orotherwise,withoutthepriorwrittenpermissionofthedistributor.Portionsofthisprogramarea1socopyrightedbyMicrosoftCorp.,XVTSoftware,c.,and1984-1996FairComCorporation.O1MicrosoftisaregisteredtrademarkofMicrosoftCorporation,andWindowsisatrademarkofMicrosoftCorporation.IS

7、ISisatrademarkofMD1InformationSystems.Inc.TairCom-and-c-treePIusmaretrademarksoFairComCorporationandareregisteredintheUnitedStatesandotheruntries.A11RightsReserved.Certaintradenamesandcompanyproductsarementionedinthetexttospecifyadequate1ythecomputerproductsandequipmentneededtousethissoftware.Innoca

8、sedoessuchidentificationimp1yendorsementbytheNationa1InstituteofStandardsandTechno1ogyofthesecomputerproductsandequipment,nordoesitimp1ythattheproductsarenecessarythebestavai1ab1eforthepurposeContentsContentsiiiInsta11ation1Introduction3NewFeaturesinNIST08andtheMSSearchProgram4Version2.0foftheMSSear

9、chProgram4NIST084RetentionIndices4TheNISTM&MS1ibrary5TabDisp1ays7The1ib.SearchTab10Tit1eBar.Too1Bar,andStatusBar12Neutra11ossDisp1ay13Spectra1Ana1ysisUti1itiesforNIST0815AutomatedMassSpectrometryDeconvo1utionandIdentificationSystem(AMDIS)15MSInterpreter15Examp1eSearches17UserSpectrumandStructureSear

10、ches171ibrarySearchOptions19Automations201imits20Constraints20TheSearchMenu21SearchbyAnyPeaks21SearchbyName22Sequentia1Method22BasisforInterpretationofthe1ibrarySearchResu1ts23SubstructureInformation24UsewithInstrumentDataSystems26UsewrthThird-PartyDrawingPrograms28User1ibraries29NISTTextFormatofInd

11、ividua1Spectra30APPENDIX 1: CreatingAUTOIMPFi1esUsedinNISTMSSearchV.2.031APPENDIX 2: UsingtheNISTMSSearchProgramwithChemStation32APPENDIX 3: CopyChemStationandOther1ibrariestoNISTUser1ibraryFormat35APPENDIX4：UsingtheNISTMSSearchProgramwithThermoE1ectronCorporarationXca1iburSoftware.38APPENDIX 5: Sea

12、rchA1gorithms39Screening39Search40APPENDIX 6: SyntaxforSomeConstraintsinSearches41SyntaxofNameFragmentsConstraint41SyntaxofTagsinCommentConstraint41APPENDIX 7: ContributingE1MassSpectratotheN1STVEPANIHMassSpectra11ibrary45APPENDIX 8: SupportContacts46PageIvNIST08MSUbraryandMSSearchProgramv.2.0f带格式的:

13、段落词距段前o磋,行距:单倍行距Insta11ationOftheNISTMSSearchProgram,AMDIS,andtheN1ST/EPAMH(NIST08)DatabaseinChemStationandNISTFormatsOnWindowsNT4.0,Windows20,WindowsXP,WindowsVistaTheNISTMSSearchProgramforWindowsandtheNISTEPANIHMassSpectra1DatabaseintheNISTandtheCbemStationFormatismpatibewithanyversionofChemStatio

14、nrunningonWindows95,Windows98,Windows20.orWindowsNT.TheNISTMSSearchProgramV.2.0fwi11notworkwithWindows3.11.Thissing1einsta11ationroutine(SETUP.EXE)insta11stheN1SiVEPA/NIHMassSpecua1DatabaseinboththeChemStationandNISTformatsandtheNISTMassSpectra1SearchProgram,andAMDIS.P1acetheCDROMinChemStationComput

15、ersCDROMDrive.IftheautostartfortheCD-ROMdriveisactiveonyourcomputer,theSETUP.EXEwi11automatica11ystart.Ifitisnot: Se1ecttheStartbuttononthe1ower1eftofyourscreen.Thense1ectRunfromtheStartmenu. AssumingyourCD-ROMdriveisD.typeD:SETUP.EXEandse1ectOK.IfyourCD-ROMdriveisadeviceotherthanD,rep1aceDwiththeappropriatedrive1etter. Fo11owtheinstructionspresentedbytheSETUPprogram. InupgradingfrompreviousWindowsversionsoftheNISTMSSearchProgram,v.2.0fwi11beaddedtothepreviousversionsdirectoryun1esstheinsta11directoryischangedfromNISTMS.Previousversionsoft