HAPSITEER高级操作培训

HAPSITEER/SmartPlusTrainingHAPSITEER/SmartPlus培训,AdvancedERIQ/PlusIQ高级的ERIQ/PlusIQ,CourseOutline课程大纲,Overview综述InstrumentSetup仪器设置Tune调谐Troubleshooting故障查找AdvancedDataReview高级数据处理CreatingAMDISLibraries创建AMDIS库RecognizingCo-Elution识别共淘析ChromatogramOverlay色谱图迭加AccessingQuantitationReports查访定量报告BasicMethodWriting基本方法编写MethodEditorOverview方法编写器概述SIMMethodsSIM方法MethodSequencing方法序列BlankSubtraction空样扣除Communications通讯,InstrumentSetup仪器设置,InsertGasCanisters插入气瓶TurnontheAnalyticalModuleortaketheAnalyticalModuleoutofExtendedStandby将分析模件电源on或将分析模件离开延伸的待机状态Systemwillheat,AutoTuneandrunaConcentratorcleanout系统将加热,自动调谐和运行浓缩器清理TurnontheLaptop将计算机电源onDoubleclicktheERIQ/PlusIQicontoopenthesoftware双击ERIQ/PlusIQ图标,打开软件,Tune调谐,TuneOverview调谐概述AutoTune自动调谐ManualTune手动调谐,TuneOverview调谐概述,TuneoptimizestheperformanceoftheMS调谐使MS的性能最佳化AnimproperlytunedMScanresultin:未正确调谐的MS可导致:Lowsensitivity灵敏度低Undetectedcompounds未能检测到化合物Massmisalignment质量数未对准Incorrectidentifications不正确的ID鉴别IncorrectMassRatios不正确的质量比LowNetFitorSInumbers低纯拟合或SI数,TuneOverview调谐概述,TenmassesareusedwhentuningtheMS调谐MS使用10个质量数Massesarebetween50-282toencompassthefull41-300rangeofmassfragments质量数在50-282之间包含整个41-300质量分裂物范围TheInternalStandardgascontainsthechemicalsthatprovidethesemassesusedfortuning内部标准气体包含提供这些用于调谐质量数的化合物,AutoTune自动调谐,TheHAPSITEwillautomaticallyAutoTune:HAPSITE将自动调谐:UponStartup当启动时UponexitingExtendedStandby当退出延伸的待机状态时After12hoursofoperation运行12个小时后,AutoTune自动调谐,AutoTunecanbeinitializedby:自动调谐可由下列动作起始:ClickingTuneAutoTuneonthelaptop在计算机上单击TuneAutoTuneTouchingRUNAUTOTUNEonthefrontpanel触摸面板上的RUNAUTOTUNE按钮RebootingtheHAPSITE重新启动HAPSITE,TroubleshootingaFailedAutoTune不成功自动调谐的故障查找,InternalStandardCanister内部标准气瓶Verifythatthepressureisadequate核实压强是否适当Verifytheexpirationdate核实是否已到使用期限InsertnewIScanisterifnecessary必要时插入新的IS气瓶CarrierGas(SmartPlusOnly)载气(仅SmartPlus)Verifypressurethatthepressureisadequate核实压强是否适当Reservoirpressure(400kPa)贮存器压强(400仟帕)ERdoesnothaveareservoirER无贮存器InsertnewCarrierGascanisterifnecessary必要时插入新的载气瓶RepeatAutoTune重新执行自动调谐,TuneRequiresAdvancedMode调谐要求高级模式,TheAccessLevelmustbesettoAdvancedtomanuallytunetheinstrument必须将AccessLevel设定于高级,手动调谐仪器SetAccessLevelisusedtochangetheERIQ/PlusIQusermodeSetAccessLevel用于更改ERIQ/PlusIQ的用户模式NormalMode:Allowsaccesstodefaultmethodsanddataanalysis常规模式:允许进入默认方法和数据分析AdvancedMode:Allowsaccesstomethodediting,manualtuning,filetransferandfiledeletion高级模式:允许进入方法编写,手动调谐,文件传送和文件删除,ERIQ/PlusIQSetAccessLevelERIQ/PlusIQ设定查访层次,SelectSetAccessLevel选SetAccessLevelSelectAdvancedfromthedropdownmenu从下拉菜单上选AdvancedNeitheraccesslevelispasswordprotectedunderthedefaultsettings默认设定查访层次无口令保护Advancedmodecanbepasswordprotectedifdesired必要时可用口令保护高级模式ClickOK单击OK,SetAccessLevel设定查访层次,ManualTune手动调谐,DoubleclicktheTuneicon双击调谐图标Select选default.tunClickOK单击OKNote:TheNEGisbeingconsumedwhileManualTuneisopen注:在打开手动调谐的同时,消耗NEG,BasePeakGain(BPG)基峰增益(BPG),BPGisrelatedtotheintensityofmass117BPG与M117的强度有关BPGinfluencessensitivityBPG影响灵敏度ERidealsettingis0.5ER理想的设定值为0.5Rangeis0.4to0.6范围为0.4至0.6SmartPlusidealsettingis1.0SmartPlus理想的设定值为0.1Rangeis0.8to2.0范围为0.8至2.0,AdjustingBasePeakGain调整基峰增益,TheBPGisadjustedusingEM(ElectronMultiplier)voltage用EM(电子倍增器)电压调整BPGAdjustusingincrementsof25V用增量25伏调整Thenormaloperatingrangeis1000to2000volts常规工作范围为1000至2000伏,AdjustingBasePeakGain(BPG)调整基峰增益(BPG),AdjustedBasePeakGainforanER为ER调整基峰增益,RealTimeMassCalibrationTable实时质量校准表,RedboxesmaybepresentintheRealTimeMassCalibrationArea在实时质量校准区可出现红色框Thisindicatesthatresolutionand/orintensityofthemassisoutofrange这表明质量数的分辨率和/或强度已超出范围,StatusColumn状态栏,StatusColumnwillreadOK,OKLow,OKHigh,LoworHigh状态栏将出现OK,OK低,OK高,低或高等读值HighandLowarenotacceptable高和低是不可接受的,MassAlignment质量对准,PerformaMassAlignmentbypressingF5按F5执行质量对准UpdatestheStatuscolumnreadings更新状态栏读值PerformaMassAlignmentpriortoandaftermakingadjustmentstothetuneparameters调整调谐参数前和后执行质量对准,TargetResolution靶分辨率,Resolutionreferstothewidthofthemass分辨率与质量数的宽度有关Themasswidthshouldbe1AMU质量数宽度应为1AMUTherangefortheTargetResolutionis0.85and1.10靶分辨率的范围在0.85至1.10之间,AdjustingTargetResolution调整靶分辨率,Adjustinincrementsof0.05调整的增量为0.05ThenumberintheActualPercentagecolumnisaffectedbythetargetresolutionadjustments实际百分数栏的数受靶分辨率调整的影响ItshouldfallbetweentheMax.andMin.Targets它应落入最大和最小靶之间IfthemassescannotbebroughtintorangebyadjustingtheTargetResolution,adjusttheIonEnergies如调整靶分辨率不能使质量数进入范围,调整离子能量,IonEnergies离子能量,AdjustingtheIonEnergyadjuststheintensity(height)ofthemass调整离子能量调整质量的强度(高度)AdjusttheIonEnergiesifthetargetresolutionisat0.85andtheredboxcontinuestoindicatethatthemassisabovethemaximumtargetresolution如靶分辨率在0.85和红框继续表示质量在最大靶分辨率以上,调整离子能量AdjusttheIonEnergiesifthetargetresolutionisat1.10andtheredboxcontinuestoindicatethatthemassisbelowtheminimumtargetresolution如靶分辨率在1.10和红框继续表示质量在最小靶分辨率以下,调整离子能量,IonEnergies离子能量,AdjusttheIonEnergy调整离子能量IonEnergiesshouldgenerallybeinascendingorderfromLowtoHigh一般离子能量应从低至高地向上升PerformaMassAlignment(F5)aftereachchangeuntilOKisreportedintheStatuscolumn每次更改后执行质量对准(F5),直到状态栏内显示OK,SaveTune保存调谐,VerifythatOKisdisplayedintheStatusColumn核实在状态栏内显示OKReadjustmentoftheBPG,TargetResolutionandIonEnergiesmaybenecessarytoattainacceptabletuneparameters重新调整BPG,靶分辨率和离子能量可能必须达到可接受的调谐参数ClickSaveTune单击保存调谐CloseManualTune关闭手动调谐,HowtoManualTune如何手动调谐,VerifyMass117isinrange核实M117在范围内TargetResolution(0.85-1.10)靶分辨率(0.85-1.10)IonEnergy(140-170)离子能量(140-170)AdjustBasePeakGain(BPG)sensitivity,ifneeded如需要,调整基峰增益(BPG)灵敏度AdjustusingEMvoltage用EM电压调整Range范围0.6-0.8forERwith0.5asoptimalsetting对ER0.6-0.8,0.5为最佳设定值0.8-2.0forSmartPluswith1.0asoptimalsetting对SmartPlus0.8-2.0,1.0为最佳设定值Adjustpeakwidthresolutions,ifneeded如需要,调整峰宽分辨率AdjustusingTargetResolution用靶分辨率调整Range0.85-1.10范围0.85-1.10Adjustmassratiointensity,ifneeded如需要,调整质量比强度AdjustusingIonEnergy用离子能量调整RefertoIonEnergyrangechart参阅离子能量范围图表Savetuneasdefault.tun保存调谐为default.tun,TuneWorksheet调谐工作表,AdvancedManualTuneWorksheet高级的手动调谐工作表,Troubleshooting故障查找,CommonProblems常见问题HighPressureTroubleshooting高压强故障查找,CommonProblems:HighInternalStandardTIC常见问题:内部标准TIC高,Possiblecauses可能原因Blockedairflowinprobe探头中空气流堵塞Samplebagclosed样品袋关闭Pluggedexhaust排气阻塞Note:Theairpeakisnotpresentinthechromatogram注:色谱图中未出现空气峰,CommonProblems:ShiftedRetentionTime常见问题:移位的滞留时间,AblankmayshowthattheRetentiontimehasshifted空样可表示滞留时间已移位SmartPlusBPFBrangeis8:00(+/-10seconds)SmartPlusBPFB的范围为8:00(+/-10秒)ERBPFBrangeis3:45(+/-5seconds)ERBPFB的范围为3:45(+/-5秒)AdjustingtheGCcolumnpressurewilladjusttheRetentiontime调整GC柱压强将调整滞留时间GCColumnPressuresettingsareuniquetoeachHAPSITE每台HAPSITE的GC柱压强是独特的,CommonProblems:ShiftedRetentionTime常见问题:移位的滞留时间,DoubleclickontheStatusicon双击状态图标Click单击PressureFlowandOffsetsIncreasekPatodecreaseRT增大仟帕来减小RT1kPachange3secondRTchange更改1仟帕RT更改3秒Re-runtheblanktoverifythatRTforBPFBiscorrected重新运行空样,证实BPFB的RT已改正,CommonProblems:MultipleInternalStandardPeaks常见问题:多个内部标准峰,Occurswhenthepreviousrunisaborted当先前的运行被中止时发生TheInternalStandardswereunabletoelute内部标准不能淘析Continuerunningblanksuntiltheextrapeaksarenolongerpresent继续运行空样直到额外的峰不再出现,CommonProblems:GCColumnHardwareError常见问题:GC柱硬件误差,Possiblecausesinclude:可能的原因包括:Emptyorlownitrogencanister氮瓶空或压力低Insertanew,fullcanofnitrogen插入新的,满的氮瓶AcrackedorchippedConcentrator浓缩器破裂或碎裂UninstalltheConcentratortoverifyitscondition卸下浓缩器,核实它的情况Incorrectferruleorientation套圈方向不正确Orientferrulesasshowninpicture套圈方向如图所示Ferrulesareoldorwarped套圈老化或弯曲Verifytheconditionoftheferrules核实套圈的情况TheConcentratorisimproperlyseated浓缩器就位不正确ReinstalltheConcentrator重新安装浓缩器TheConcentratornutsarenotfullytightened浓缩器螺帽未完全拧紧,PumpFailure:HighPressureWarning泵损坏:高压强警告,AhighpressurewarningappearswhenthetotalMSpressureishigherthanacceptable当MS的总压强高于可接受的压强时出现高压强警告Acceptablepressureislessthan6E-3Pa可接受的压强低于6E-3帕TheHAPSITEwillnolongerrunmethodsHAPSITE不再运行方法ThesourceofthehighpressurecanbeisolatedusingtheServiceModule可用服务模件隔离高压强源Attachandpumpdownforacoupleofhours连接和抽空数小时IftheHAPSITErunsamethod,thecauseistheNEGPump如HAPSITE运行方法,原因在于NEG泵IftheHAPSITEdoesnotrunamethod,thecauseistheIonPump如HAPSITE不运行方法,原因在于离子泵,PumpOverview泵概述,IonPump离子泵WorksinconjunctionwiththeNEGtomaintainvacuumintheMassSpectrometer与NEG一起工作维持质谱仪的真空Removesthenoblegases清除惰性气体AveragelifetimeofanIonPumpis2000to4000hours离子泵的平均寿命为2000至4000小时ToviewtheIonPumphours:查看离子泵的小时数DoubleclicktheStatusicon双击状态图标SelectMaintenance选维护,PumpOverview泵概述,NEGPumpNEG泵Maintainsvacuum维护真空NEGcanlastover200hourswhenstoredinExtendedStandby当贮存于延伸的待机模式时,NEG可在200小时以上StoringinExtendedStandbyimprovesNEGlife贮存于延伸的待机模式可延长NEG寿命ToviewtheNEGhours查看NEG的小时数DoubleclickStatusicon双击状态图标ClickontheNEGStatusTab,HighPressureTroubleshooting高压强故障查找,NEGbakeoutNEG烘烤NEGbakeoutcanbeusedifaNEGhaslessthan100hoursof“OnTime”如NEG的“OnTime”时间少于100小时,可使用NEG烘烤TheNEGisheatedto700Cfor2hours将NEG加热至700C,保持2个小时AbakeoutmayprolongNEGlife,butisnotaguarantee烘烤可延长NEG的寿命,但不保证,NEGBakeoutNEG烘烤,DoubleclicktheStatusIcon双击状态图标ClickonService单击服务ClickonBakeoutNEG单击烘烤NEG,HighPressureintheHAPSITE,AttachtoServiceModuleandpumpdownfor2hours,Runamethod.Doesthemethodrun?,Highpressurewascausedbyionpumpfailure,HighpressureiscausedbyNEGpumpfailure,AretherealotofhoursontheNEGpump?,ReplacetheNEGpump,BakeouttheNEGpump,YES,NO,NO,YES,FlowchartforHighPressureTroubleshooting,高压强在HAPSITE中,连接至服务模件抽空2个小时,运行方法.方法是否运行?,高压强的原因是由于离子泵故障,高压强的原因是由于NEG泵故障,NEG泵是否还有许多小时数?,更换NEG泵,烘烤NEG泵,是,否,否,是,高压强故障查找流程图,AdvancedDataReview高级数据处理,CreatingAMDISLibraries创建AMDIS库UsingNewAMDISLibrary使用新的AMDIS库RecognizingCo-Elution识别共淘析ChromatogramOverlay色谱图迭加ChromatogramSubtract色谱图扣除,CreatingAMDISLibraries创建AMDIS库,TocreateanAMDISlibrary为创建AMDIS库SelectaspectrumfromtheNISTlibrary从NIST库选谱图Exportthespectrumtoanewfolder输出谱图至新文件夹Createlibraryfile创建库文件AddlibrarytoAMDIS添加库至AMDIS,CreatingAMDISLibraries创建AMDIS库,Inthisexample,wewillcreatealibrarythatwillincludeonlyCWAs本例中,我们将创建仅包含CWAs的库Wewilladdthefollowingcompounds:将添加下列化合物:Ethylmethylphosphonofluoridate(VX)乙基甲基膦酰基氟化物(VX)Isobutylmethylphosphonofluoridate(R-33)异丁基甲基膦酰基氟化物(R-33)Sarin沙林Soman束曼Tabun塔崩MustardGas(SulfurMustard)芥子气(硫芥子气)Cyclohexylmethylphosphonofluoridate(Cyclosarin)环己基甲基膦酰基氟化物(环沙林),CreatingAMDISLibraries创建AMDIS库,OpenNIST打开NISTEnterthedesiredcompound键入所需的化合物EnterEthylmethylphosphonofluoridate(asmuchaswillfit)键入乙基甲基膦酰基氟化物(尽管多将拟合)Right-clickonthehighlightedname右击点亮的名称ClickExportSelected单击输出已选,CreatingAMDISLibraries创建AMDIS库,EnterVXasthefilename在文件名中键入VXThisisthefilethatwillbeenteredintothenewlibrary这是将输入新库的文件ClickSave单击保存,CreatingAMDISLibraries创建AMDIS库,TypeIsobutylmethylphosphonofluoridate键入异丁基甲基膦酰基氟化物Right-clickonthename,andselectExportSelected右击名称,并选输出已选,CreatingAMDISLibraries创建AMDIS库,ClickonVX单击VXClickonSave单击保存,CreatingAMDISLibraries创建AMDIS库,ClickAppend单击添加ThiswillsavetheselectedcompoundtothesamelibrarythatVXissavedto这将保存所选的化合物至与保存VX相同的库Repeatthepreviousstepsuntilalldesiredcompoundshavebeenadded重复先前的步骤直到全部所需的化合物已经被添加MakesuretoclickonVXeachtime务必每次单击VX,CreatingAMDISLibraries创建AMDIS库,Openthedatafiletobeanalyzed打开要分析的数据文件IntheBasicTrainingChromatograms-ERfolder,openthedatafilelabeledAgents在基本培训色谱图-ER文件夹中,打开标签为Agents的数据文件,CreatingAMDISLibraries创建AMDIS库,OpenAMDIS打开AMDISRight-clickinthechromatogram在色谱图上右击HighlightPeaks点亮峰HighlightSwitchtoAMDIS点亮切换至AMDIS,CreatingAMDISLibraries创建AMDIS库,ClickConfirm单击确认ThiswillopenuptheConfirmationpage(seenextslide)这将开启确认页面(见下一个幻灯片),CreatingAMDISLibraries创建AMDIS库,CreatingAMDISLibraries创建AMDIS库,IntheMenubarselectLibrary,thenselectLibraryTransfer在菜单栏中选库,然后选库传送,CreatingAMDISLibraries创建AMDIS库,ClickonFiles单击文件ClickonLoadLibrary单击加载库,CreatingAMDISLibraries创建AMDIS库,ChangetheFileTypeto.msp将文件类型更改为.msp,CreatingAMDISLibraries创建AMDIS库,FindthefilesavedearlierfromNIST从NIST寻找早期保存的文件ClicktheUpOneLevelbuttontogettothemainNISTfolder单击返回上一级文件夹按钮,进入主NIST文件夹,CreatingAMDISLibraries创建AMDIS库,Double-clicktheMSSEARCHfolder双击MSSEARCH文件夹Highlightthecompoundtoaddtothelibrary点亮化合物,将它添加至库中ThisexampleisVX本例为VXClickOpen单击打开,CreatingAMDISLibraries创建AMDIS库,ClickCreateNewLibrary单击创建新库,CreatingAMDISLibraries创建AMDIS库,InFileName,typeCWALibrary.msl在文件名中,键入CWALibrary.mslThisisthenameofthenewlibrarythatisbeingcreated这是创建的新库名ClickOK单击OKClickCloseintheFileswindow单击在文件窗口中关闭,CreatingAMDISLibraries创建AMDIS库,HoldCtrlbuttononthekeyboardandclickeachcompoundtohighlight按住键盘上的Ctrl按钮,单击每个化合物,点亮它们ClickTransfertoaddtothenewCWALibrary单击传送,添加至新的CWA库中,CreatingAMDISLibraries创建AMDIS库,ClickExit单击退出Thiswillsavethespectratothenewlibrary这将保存谱线至新库中,ChangetoNewAMDISLibrary变换至新AMDIS库,TochangetothenewAMDISLibrary为变换至新AMDIS库IntheMenubarclickFile,thenGotoResults在菜单栏中单击文件,接着单击前往结果ThiswillbringuptheResultspage这将调出结果页面,ChangetoNewAMDISLibrary变换至新AMDIS库,ClickonAnalyze单击分析,ChangetoNewAMDISLibrary变换至新AMDIS库,ClickonTargetLibrary单击靶库,ChangetoNewAMDISLibrary变换至新AMDIS库,ClickonSelectNew单击选新的,ChangetoNewAMDISLibrary变换至新AMDIS库,ClickontheUpOneLevelbuttonuntiltheC:directoryappears单击返回上一级文件夹按钮直到出现C:目录,ChangetoNewAMDISLibrary变换至新AMDIS库,Double-clickontheNIST08folder双击NIST08文件夹Double-clickontheMSSEARCHfolder双击MSSEARCH文件夹,ChangetoNewAMDISLibrary变换至新AMDIS库,ClickonFilesoftype,andselectMSLibrary(*.MSL)单击文件类型,并选MS库(*.MSL),ChangetoNewAMDISLibrary变换至新AMDIS库,ClickonCWALibrary.msl单击CWALibrary.mslClickOpen单击打开,ChangetoNewAMDISLibrary变换至新AMDIS库,ClickSave单击保存,ChangetoNewAMDISLibrary变换至新AMDIS库,ClickRun单击运行,ChangetoNewAMDISLibrary变换至新AMDIS库,TheCWALibraryisnowthemainAMDISlibrary现在CWA库是主AMDIS库,RecognizingCo-Elution识别共淘析,Co-elutionoccurswhentwoormorechemicalssharethesamepeak当两个或更多化合物分享同一个峰时,发生共淘析TheGasChromatographseparateschemicalsbasedontheirboilingpoints气相色谱仪分离化合物基于它们的沸点Chemicalswiththesameorsimilarboilingpointswillco-elute化合物具有相同或相似的沸点将出现共淘析Co-elutingchemicalswillgenerallyhavealowpurity共淘析化合物一般为低纯度,RecognizingCo-Elution识别共淘析,AMDISidentifiedamixtureof19chemicalsplusthetwoInternalStandardsinthechromatogrambelow在下面的色谱图中AMDIS鉴别19个化合物加上2个内部标准组成的混合物,RecognizingCo-ElutionUsingAMDIS用AMDIS识别共淘析,AMDISisapowerfultoolfordetectingco-elutingchemicalsAMDIS是检测共淘析化合物的强有力的工具Forthisexample,theretentiontimesfortheco-elutingchemicalsare0.8810and0.9889minutes本例中,共淘析化合物的滞留时间为0.8810和0.9889分MethyleneChloride二氯甲烷1,1-Dichloroethene二氯乙烯,RecognizingCo-ElutionUsingNISTSearch/User用NIST搜索/用户识别共淘析,Doubleclickthepeakat00:53双击00:53处的峰TheNISTidentificationisMethyleneChlorideNIST识别的是二氯甲烷,RecognizingCo-ElutionUsingNIST/SearchUser用NIST搜索/用户识别共淘析,NoticetheadditionalmassesarepresentinScan48注意到附加的质量数存在于扫描48MassesdonotcorrelatewiththelibrarySpectrumofMethyleneChloride质量数与库的谱线二氯甲烷无关联,RecognizingCo-ElutionUsingRICPlots,Furtheranalyzethepeakat0:53UsetheNISTLibrary(Namestab)tolocatethetopthreemassfragmentsforMethyleneChloride49,84,86AddthesemassestotheControlPanelAddtheadditionalmassfragmentsfoundinScan4861,96,98NoticetheRICplotpeaksdonotalignTwodifferentchemicalsareco-elutingatthispeak,61,96,98,49,84,86,用RIC图识别共淘析,进一步分析0:53处的峰用NIST库(名称标签条)为二氯甲烷定位顶上的三个质量分裂物49,84,86添加这些质量数至控制屏添加在扫描48中出现的附加质量分裂物61,96,98注意到RIC图的峰并未对齐两个不同的化合物共淘析于此峰,61,96,98,49,84,86,RecognizingCo-ElutionUsingNISTMSSearch用NISTMS搜索识别共淘析,Eachchemicalintheco-elutedpeakcanbefurtherisolatedusingtheNISTMSSearch用NISTMS搜索可进一步分离共洗提峰中的每个化合物Rightclickonthemassspectrum在质谱图上右击SelectNISTGrabSpectrumforNIST选NISTGrabSpectrumforNIST,RecognizingCo-ElutionUsingNISTMSSearch用NISTMS搜索识别共淘析,Apop-upwillbedisplayed将出现弹出窗口Verifythatthegrabbedspectrumisthecorrectscan证实抓取的谱图是正确的扫描ChecktheSwitchtoNISTbox勾选切换至NIST框ClickOK单击OKTheNISTMSSearchprogramwillopen将打开NISTMS搜索程序,RecognizingCo-ElutionUsingNISTMSSearch用NISTMS搜索识别共淘析,GrabbedspectrumofMethyleneChloride二氯甲烷的抓取谱图,RecognizingCo-ElutionUsingNISTMSSearch用NISTMS搜索识别共淘析,ClicktheSubtractiontab单击扣除标签条Thesubtractiontabisusedtosubtractthemassesoftheidentifiedcompound(i.e.,MethyleneChloride)fromtheunknownco-elutingsample扣除标签条是用于从未知的共淘析样品中扣除已鉴别化合物(例如,二氯甲烷)的质量数NISTwillusetheremainingmassestoidentifythesecondcomponentthatwasdisplayedinAMDISNIST将用剩余的质量数鉴别在AMDISNIST中出现的第二个组分,RecognizingCo-ElutionUsingNISTMSSearch用NISTMS搜索识别共淘析,Rightclickinthewindow在窗口上右击SelectLibrarySearch选库搜索Theco-elutingcompoundof1,1-dichloroethenewillbeidentified将鉴别1,1-二氯乙烯的共淘析化合物,Co-elutionWorksheet共淘析工作表Hint:LookforBPFBat8:00+/-10seconds(SmartPlusChromatogramisusedforTeachingPurposes)提示:寻找BPFB于8:00+/-10秒(SmartPlus色谱用于教学目的),ChromatogramOverlay色谱图迭加,Multiplechromatogramscanbesuperimposedforviewinginthesamewindow为便于在同一窗口查看,可将多个色谱图迭加Facilitatesthecomparisonoftwoormorechromatograms便于两个或更多色谱图的比较Usefulforblankcomparison有用于空样比较,ChromatogramOverlay色谱图迭加,ClicktheChromatogramOverlayIcon单击色谱图迭加图标Openthefirstfileforreview打开第一个文件查看OpenLevelIVChromatogramsfolder打开层次IV色谱图文件夹SelectChromatogramOverlayBlank选色谱图迭加空样ClickOK单击OK,ChromatogramOverlay色谱图迭加,ClickontheiconbelowtheFileName单击文件名下面的图标LocatedintheControlPanel位于控制屏内,ChromatogramOverlay色谱图迭加,SelecttheLevelIVChromatogramsfolder选层次IV色谱图文件夹HighlightChromatogramOverlaySample点亮色谱图迭加样品ClickOK单击OKThesecondchromatogramwillopen将打开第二个色谱图,ChromatogramOverlay色谱图迭加,ClickSearchNIST/User单击搜索NIST/用户SelecttheFileforNISTSearchfromthedropdownmenu从下拉菜单选文件用于NIST搜索ClickOK单击OK,ChromatogramOverlay色谱图迭加,ThedisplayedNISTidentificationswillcorrespondtothehighlightedfile显示的NIST鉴别将相应于点亮的文件,ChromatogramOverlay色谱图迭加,ToviewtheNISTidentificationsforadifferentfile,clickonthefilenameintheControlPanel为查看不同文件的NIST鉴别,单击控制屏中的文件名,ChromatogramOverlay色谱图迭加,Colordisplayedincheckboxcorrelatestothecolorofthechromatogram勾选框中显示的颜色与色谱图的颜色相关,ChromatogramOverlay色谱图迭加,Peakscanbealignedbyretentiontimeforfurthercomparison为进一步比较可用滞留时间对准峰Determinethetimedifferencebetweenthepeaks确定峰之间的时间差Shiftthechromatogramthedesiredamountoftimebyselecting+or由选+或,将色谱图位移所需的时间量Typeinthetimedifference键入时间差PressEnter按输入,ChromatogramOverlay色谱图迭加,ComparetheretentiontimeofBPFBintheBlanktotheretentiontimeofBPFBinthesample比较空样与样品中BPFB的滞留时间,Blank,Sample,3:46,3:42,ChromatogramOverlay色谱图迭加,EnterthedifferenceinBPFBretentiontimesintheRTboxintheControlPanel在控制屏的RT框中输入BPFB滞留时间的差3:463:42=00:04000Clickonthechromatogram单击色谱图Thepeakswillalignasshownbelow峰将如下所示地对准,ChromatogramSubtract色谱图扣除,Subtractsonechromatogramfromanother从另一个扣除一个色谱图Canbeusedtosubtracttheblankfromthesampletoverifythepresenceofthecompound可用于从样品扣除空样,证实化合物的存在,ChromatogramSubtract色谱图扣除,Forexample,theTICforScan660is1,000,000ontheselectedchromatogram(Sample)例如,在所选的色谱图上,扫描660的TIC