Empower ZQ Mass Detector Software - Waters Corporation · The Empower ZQ Mass Detector Software Getting Started Guide includes tutorials that demonstrate how to operate the Waters®

Empower ZQ MassDetector Software

Getting Started Guide

34 Maple StreetMilford, MA 01757

71500044803, Revision A

NOTICE

The information in this document is subject to change without notice and should not be construed as a commitment by Waters Corporation. Waters Corporation assumes no responsibility for any errors that may appear in this document. This document is believed to be complete and accurate at the time of publication. In no event shall Waters Corporation be liable for incidental or consequential damages in connection with, or arising from, the use of this document.

© 2002–WATERS CORPORATION. PRINTED IN THE UNITED STATES OF AMERICA. ALL RIGHTS RESERVED. THIS DOCUMENT OR PARTS THEREOF MAY NOT BE REPRODUCED IN ANY FORM WITHOUT THE WRITTEN PERMISSION OF THE PUBLISHER.

Waters is a registered trademark, and Empower and ZQ are trademarks of Waters Corporation.

All other trademarks or registered trademarks are the sole property of their respective owners.

Table of Contents

Preface ......................................................................................... 8

Chapter 1 Introduction ...................................................................................... 14

1.1 About the Waters ZQ Mass Detector .................................... 14

1.1.1 Overview.................................................................... 14

1.1.2 Instrument Components ............................................ 15

1.2 About Empower Software ..................................................... 16

1.3 Tutorials Overview................................................................. 16

Chapter 2 Preparing for Operation ................................................................... 17

2.1 Basic Functions of Empower Software ................................. 18

2.1.1 Powering on the ZQ Mass Detector........................... 18

2.1.2 Logging in to Empower .............................................. 18

2.1.3 Creating a Chromatographic System......................... 20

2.1.4 Creating an Empower Project .................................... 24

2.1.5 Opening the New Project ........................................... 28

2.2 Preparing the Instrument for Operation ................................ 28

2.2.1 Obtaining System Information ................................... 29

2.2.2 Evacuating the Analyser ............................................ 29

2.2.3 Preparing the Syringe and Syringe Pump ................. 33

Table of Contents 3

Chapter 3 Calibrating the Mass Scale .............................................................. 35

3.1 Calibration Overview............................................................. 35

3.2 Setting Up the Calibration File .............................................. 35

3.3 Setting Calibration Parameters ............................................. 37

3.3.1 Tune Page Settings.................................................... 37

3.3.2 Calibration Dialog Box Settings ................................. 38

3.3.3 Instrument Threshold Settings Dialog Box Settings .............................................................. 39

3.3.4 Automatic Calibration Check Dialog Box Settings ..................................................................... 40

3.3.5 Calibration Parameters Dialog Box Settings .............. 41

3.3.6 Mass Measure Dialog Box Settings........................... 42

3.3.7 Automatic Calibration Dialog Box Settings ................ 43

3.3.8 Calibration Acquisition Setup Dialog Box Settings ..................................................................... 44

3.4 Reviewing Calibration Results .............................................. 46

Chapter 4 Tuning ............................................................................................ 50

4.1 Preparing for Electrospray Operation.................................... 50

4.2 ES+ Source Tab Parameters................................................. 50

4.3 Analyser Tab Settings ........................................................... 53

4.4 Monitoring Readbacks .......................................................... 55

Chapter 5 Creating an MS Instrument Method and Method Set ...................... 56

5.1 The Instrument Method Editor .............................................. 56

Table of Contents 4

5.1.1 Opening the Instrument Method Editor...................... 57

5.1.2 Using the Instrument Method Editor .......................... 58

5.1.3 Adding an MS Scan Function to the Function List..... 58

5.1.4 Adding a SIR Function to the Function List ............... 61

5.1.5 Changing Function List Start and End Times ............ 62

5.1.6 Changing Function Order .......................................... 62

5.1.7 Saving the Instrument Method................................... 63

5.2 Creating the Method Set ....................................................... 64

Chapter 6 Running the Sample ........................................................................ 68

Index ....................................................................................... 70

Table of Contents 5

List of Figures

1-1 Waters ZQ Mass Detector ............................................................. 15

2-1 System Startup and Preparation Tasks ......................................... 172-2 ZQ Mass Detector Showing On/Off Switch Location ..................... 182-3 Empower Login Dialog Box............................................................ 192-4 Empower Login Window ................................................................ 192-5 Configuration Manager Showing the Systems View...................... 202-6 Type Entry Page ............................................................................ 212-7 Select Server Page........................................................................ 212-8 System Selection Page.................................................................. 222-9 Access Control Page ..................................................................... 232-10 Name Selection Page .................................................................... 232-11 Configuration Manager Message Box............................................ 242-12 Configuration Manager Showing the Newly Created System........ 242-13 Tablespace Page ........................................................................... 252-14 Options Page ................................................................................. 252-15 Copy Selection Page ..................................................................... 262-16 Name Entry Page .......................................................................... 272-17 Full Audit Trail Comment Prompt ................................................... 272-18 Project Window.............................................................................. 282-19 System Information Dialog Box ..................................................... 292-20 Select Desired Chromatography System Dialog Box .................... 302-21 Run Samples Window ................................................................... 312-22 Tune Page Displaying the ES+ Source .......................................... 322-23 Syringe Pump ................................................................................ 332-24 Syringe Selection Dialog Box ........................................................ 34

3-1 Calibration Dialog Box ................................................................... 363-2 Open Dialog Box............................................................................ 363-3 Instrument Threshold Settings Dialog Box .................................... 39

List of Figures 6

3-4 Automatic Calibration Check Dialog Box ....................................... 403-5 Calibration Parameters Dialog Box ................................................ 413-6 Mass Measure Dialog Box............................................................. 423-7 Automatic Calibration Dialog Box .................................................. 433-8 Calibration Acquisition Setup Dialog Box with Model

2000 Settings................................................................................. 443-9 Display Calibration Graphs Dialog Box.......................................... 463-10 Select File for Calibration Dialog Box ............................................ 473-11 Calibrate Dialog Box Showing ZQ-4000 Calibration Graphs ......... 48

4-1 Tune Page Displaying Peak Activity ............................................... 514-2 ZQ Mass Detector Showing the Probe Adjustor ............................ 534-3 Tune Page Showing the Analyser Tab ........................................... 54

5-1 Instrument Method Editor: Main Window Showing the General Tab for the 996 PDA......................................................... 56

5-2 Instrument Method Editor: Secondary Window ............................. 575-3 Project Window Showing Path to the Instrument Method Editor ... 585-4 Function: n MS Scan Dialog Box.................................................... 595-5 Instrument Method Editor: Secondary Window Showing an

MS Scan Function ......................................................................... 605-6 Function: n SIR Dialog Box ............................................................ 615-7 Instrument Method Editor: Secondary Window Showing

MS Scan and SIR Functions.......................................................... 625-8 Save Current Instrument Method Dialog Box ................................ 635-9 Run Samples Window with Single Inject Panel Open.................... 645-10 Select Instrument Method Page .................................................... 655-11 Select Default Methods Page ........................................................ 655-12 Name Method Set Page ................................................................ 665-13 Project Window Showing Path to the New Method Set Editor ....... 665-14 Run Samples Prompt..................................................................... 67

6-1 Run Samples Window Showing Active Data Channels ................. 686-2 Run Results in Review................................................................... 69

List of Figures 7

Preface

The Empower ZQ Mass Detector Software Getting Started Guide includes tutorials that demonstrate how to operate the Waters® ZQ™ Mass Detector using Empower™ software.

Mass spectrometrists whose familiarity with computers and software ranges from novice to expert will find this guide useful.

You should understand basic Empower operations. If you do not, read the Empower Software Getting Started Guide, Chapter 2, Empower Software Basics, before attempting the tutorials in this guide.

For a more detailed explanation of the mass spectrometric techniques in this guide, refer to the Waters ZQ Detector Operator’s Guide. For details™ about applicable Empower functions, consult Empower Help.

Organization

This guide is organized as follows:

Chapter 1 briefly describes the Waters ZQ Mass Detector and presents the basic features of Empower. It also includes an overview of the tutorials in subsequent chapters.

Chapter 2 presents procedures for starting the instrument and configuring the software for operation.

Chapter 3 explains how to calibrate the mass scale.

Chapter 4 shows you how to tune the instrument.

Chapter 5 describes the Method Editor and explains its use.

Related Documentation

Waters Licenses, Warranties, and Support: Provides software license and warranty information, describes training and extended support, and tells how Waters handles shipments, damages, claims, and returns.

8

Online Documentation

Empower Help: Describes all Empower windows, menus, menu selections, and dialog boxes for the base software and software options. Also includes reference information and procedures for performing all tasks required to use Empower software. Included as part of the Empower software.

Empower Read Me File: Describes product features and enhancements, helpful tips, installation and/or configuration considerations, and changes since the previous version.

Empower LIMS Help: Describes how to use the Empower LIMS Interface to export results and import work lists.

Empower Toolkit Professional Help: Describes how to use the common-object- model, message-based protocol to communicate with the Empower software from a third-party application.

Printed Documentation for Base Product

Empower Software Getting Started Guide: Provides an introduction to the Empower software. Describes the basics of how to use Empower software to acquire data, develop a processing method, review results, and print a report. Also covers basic information for managing projects and configuring systems.

Empower Software Data Acquisition and Processing Theory Guide: Provides theories pertaining to data acquisition, peak detection and integration, and quantitation of sample components.

Empower System Installation and Configuration Guide: Describes Empower software installation, including the stand-alone Personal workstation, Workgroup configuration, and the Enterprise client/server system. Discusses how to configure the computer and chromatographic instruments as part of the Empower System. Also covers the installation, configuration, and use of acquisition servers such as the LAC/E32 module, the busLAC/E™ card, and interface cards used to communicate with serial instruments.

Empower System Upgrade and Configuration Guide: Describes how to add hardware and upgrade the Empower software using an import-and-export upgrade method.

Empower Software System Administrator’s Guide: Describes how to administer the Empower Enterprise client/server system and Workgroup configuration.

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Empower Software Release Notes: Contains last-minute information about the product. Also provides supplementary information about specific Empower software releases.

Printed Documentation for Software Options

Empower System Suitability Quick Reference Guide: Describes the basics of the Empower System Suitability option and describes the equations used by the System Suitability software.

Empower PDA Software Getting Started Guide: Describes the basics of how to use the Empower PDA option to develop a PDA processing method and to review PDA results.

Empower GC Software Getting Started Guide: Describes how to use the Empower GC option to develop a GC processing method and to review GC results.

Empower GPC Software Getting Started Guide: Describes how to use the Empower GPC option to develop a GPC processing method and to review GPC results.

Empower GPCV Software Getting Started Guide: Describes how to use the Empower GPCV option to develop a GPCV processing method and to review GPCV results.

Empower Light Scattering Software Getting Started Guide: Describes how to use the Empower Light Scattering option to develop a light scattering processing method and to review light scattering results.

Empower ZQ Mass Detector Software Getting Started Guide: Describes installation, configuration, calibration, and tuning methods, as well as how to operate the ZQ Mass Detector with Empower software.

Empower Chromatographic Pattern Matching Software Getting Started Guide: Describes how to use the Chromatographic Pattern Matching option to develop a pattern matching processing method and to review pattern matching results.

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Empower Dissolution System Software Quick Start Guide: Describes how to operate the Alliance® Dissolution System using Empower software.

Empower Toolkit Programmer’s Reference Guide: Describes how to use the common-object-model, message-based protocol to communicate with Empower software from a third-party application.

Waters Integrity System Getting Started Guide: Describes features of the Waters Integrity® System and provides step-by-step tutorials that guide a user through the use of the Empower Mass Spectrometry (MS) option.

Empower AutoArchive Software Installation and Configuration Guide: Describes how to install and configure the Empower AutoArchive option.

Documentation on the Web

Related product information and documentation can be found on the World Wide Web. Our address is http://www.waters.com.

Related Adobe Acrobat Reader Documentation

For detailed information about using Adobe® Acrobat® Reader, see the Adobe Acrobat Reader Online Guide. This guide covers procedures such as viewing, navigating, and printing electronic documentation from Adobe Acrobat Reader.

Printing This Electronic Document

Adobe Acrobat Reader lets you easily print pages, page ranges, or the entire document by selecting File > Print. For optimum print quantity, Waters recommends that you specify a PostScript® printer driver for your printer. Ideally, use a printer that supports 600 dpi print resolution.

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http://www.waters.com

Documentation Conventions

The following conventions can be used in this guide:

Notes

Notes call out information that is helpful to the operator. For example:

Note: Record your result before you proceed to the next step.

Convention Usage

Purple Purple text indicates user action such as keys to press, menu selec-tions, and commands. For example, “Click Next to go to the next page.”

Italic Italic indicates information that you supply such as variables. It also indicates emphasis and document titles. For example, “Replace file_name with the actual name of your file.”

Courier Courier indicates examples of source code and system output. For example, “The SVRMGR> prompt appears.”

Courier Bold Courier bold indicates characters that you type or keys you press in examples of source code. For example, “At the LSNRCTL> prompt, enter set password oracle to access Oracle.”

Underlined Blue Indicates hypertext cross-references to a specific chapter, section, subsection, or sidehead. Clicking this topic using the hand symbol brings you to this topic within the document. Right-clicking and selecting Go Back from the shortcut menu returns you to the origi-nating topic. For example, “Preparation for Electrospary is described in Section 4.1, Preparing for Electrospray Operation.”

Keys The word key refers to a computer key on the keypad or keyboard. Screen keys refer to the keys on the instrument located immedi-ately below the screen. For example, “The A/B screen key on the 2414 Detector displays the selected channel.”

… Three periods indicate that more of the same type of item can optionally follow. For example, “You can store filename1, filename2, … in each folder.”

> A right arrow between menu options indicates you should choose each option in sequence. For example, “Select File > Exit” means you should select File from the menu bar, then select Exit from the File menu.

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Attentions

Attentions provide information about preventing damage to the system or equipment. For example:

Cautions

Cautions provide information essential to the safety of the operator. For example:

STOPAttention: To avoid damaging the detector flow cell, do not touch the flow cell window.

Caution: To avoid burns, turn off the lamp at least 30 minutes before removing it for replacement or adjustment.

Caution: To avoid electrical shock and injury, turn off the detector and unplug the power cord before performing maintenance procedures.

Caution: To avoid chemical or electrical hazards, observe safe laboratory practices when operating the system.

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1
Chapter 1Introduction
This chapter briefly describes the Waters® ZQ™ Mass Detector and its Empower™ operating software.

1.1 About the Waters ZQ Mass Detector

1.1.1 Overview

The ZQ Mass Detector is a combined HPLC detector and quadrupole mass analyser that determines the mass-to-charge ratio (m/z) for diverse analytes. An HPLC system or syringe introduces liquid samples into the analyser source where their molecules ionize at atmospheric pressure. The ions are then induced through a series of orifices and separated according to their mass-to-charge ratio. Finally, a photomultiplier detection system detects the mass-separated ions, amplifies their signals, and sends the mass information to the data system.

You can couple the detector to two types of liquid introduction systems:

• HPLC system – To determine the mass-to-charge ratio of samples immediately after they undergo LC analysis, or to perform target analysis and quantification.

• Syringe pump – To calibrate standard solutions or infusion experiments of unknown samples.

Note: These tutorials adopt the syringe pump method, which is superior for calibrating the instrument and establishing tune parameters for known compounds.

About the Waters ZQ Mass Detector 14

1

Figure 1-1 Waters ZQ Mass Detector

1.1.2 Instrument Components

Note: Refer to the accompanying Waters ZQ Detector Operator’s Guide for detailed information about the topics in this section.

Vacuum System

An external rotary pump and an internal split-flow turbomolecular pump evacuate the system. The turbomolecular pump evacuates the analyser and ion transfer region. Vacuum leaks, electrical failure, or pump failure can cause the instrument to lose vacuum and fail. To protect against such failure, the instrument automatically shuts down when its embedded PC, which monitors turbomolecular pump speed and continuously measures vacuum pressure, detects vacuum loss.

A vacuum isolation valve lets you perform routine source maintenance without breaking vacuum.

Sample Inlet

An HPLC system or syringe pump delivers sample to the probe. An electrospray ionization (ESI) probe or atmospheric pressure chemical ionization (APCI) probe then ionizes the sample.

You can change ionization modes by changing probes.

Mass Analyser

The mass analyser separates ions by mass-to-charge (m/z) ratio.

Introduction 15

1

1.2 About Empower Software

Waters Empower software controls the ZQ Mass Detector. A 32-bit data acquisition and management application, Empower embodies an integrated database that acquires, processes, exports, and reports MS data.

Optional System Suitability software monitors the chromatography system to ensure it operates within acceptable limits of quality control, methods validation, and trend plotting.

Depending on your application’s complexity, you may be able to acquire, process, and report additional data. Refer to the Empower Help for details. For information about using the Empower Help, consult the Empower Software Getting Started Guide.

1.3 Tutorials Overview

These chapters show you how to use the instrument with Empower control:

• Chapter 2, Preparing for Operation

• Chapter 3, Calibrating the Mass Scale

• Chapter 4, Tuning

• Chapter 5, Creating an MS Instrument Method and Method Set

• Chapter 6, Running the Sample

About Empower Software 16

2

Chapter 2Preparing for Operation

This chapter shows you how to log in to Empower, create and open a project, and prepare the ZQ Mass Detector for operation.

This flowchart illustrates the tutorial’s topics and chapter sections. Familiarize yourself with its topics before you attempt the tutorial.

Figure 2-1 System Startup and Preparation Tasks

Creating and Opening an Empower Project

(Section 2.1.4)

Confirming Communication

Between Detector and Empower (Section 2.2.1)

Preparing the Syringe Pump

(Section 2.2.3)

Start

Powering on the Detector

(Section 2.1.1)

Logging In toEmpower Software

(Section 2.1.2)

Evacuating the Analyser

(Section 2.2.2)

Creating a Chromatographic

System(Section 2.1.3)

17

2

2.1 Basic Functions of Empower Software

Basic Empower functions include logging in and creating a project. Though these are described here, you should nevertheless familiarize yourself with Empower, reviewing the Empower Software Getting Started Guide.

Note: Ensure you have the Empower Create Project privilege. Your system administrator can give you this privilege if you do not have it.

Also, ensure the ZQ option is installed, and your printer is connected to the Empower Chromatography Manager and configured from the Print dialog box.

2.1.1 Powering on the ZQ Mass Detector

Power on the instrument with the power switch, located at the left edge of the instrument’s underside, about 5 inches back from the edge of the front panel (Figure 2-2).

Figure 2-2 ZQ Mass Detector Showing On/Off Switch Location

2.1.2 Logging in to Empower

Once you power on the PC and provide a valid user name and password, you must log in to Empower.

Note: This guide applies the Empower Pro interface. If you do not have access to this interface, see your system administrator.

1. To start Empower software, select Programs from the Start Menu, then Empower > Empower Login. The Empower Login dialog box appears (Figure 2-3).

��

Power Switch

Preparing for Operation 18

2
Figure 2-3 Empower Login Dialog Box
2. Enter your user name and password, then click OK. The six-panel Empower Pro window appears, displaying the current user name, default project, if any, and the selected local or server-based database (Figure 2-4).

Figure 2-4 Empower Login Window

Personal System Workgroup or Enterprise System

Basic Functions of Empower Software 19

2

2.1.3 Creating a Chromatographic System1. Click Configure System in the Empower Pro window. The Configuration Manager

appears (Figure 2-5).

Figure 2-5 Configuration Manager Showing the Systems View

2. Right-click Systems, in the Tree pane, then select New >Chromatographic System. The New Chromatographic System Wizard Type Entry page appears (Figure 2-6).


2

Figure 2-6 Type Entry Page

3. Click Next, accepting the default, Create New System. The Select Server page appears (Figure 2-7).

Figure 2-7 Select Server Page


2

4. Select from the list of acquisition servers the one you will connect the instruments in your system to, then click Next. The System Selection page appears (Figure 2-8).

Figure 2-8 System Selection Page

5. Select ZQ2000 or ZQ4000 (depending on your instrument’s model) and drag it from the Available Instruments pane, on the left, to the New Systems Instruments pane, on the right. Use the same method to add other instruments. For example, to add the Waters 2790 Separations Module and 996 Detector to the system, drag W2790/5 and 996 PDA from Available Instruments to New Systems Instruments.

6. Click Next. The Access Control page appears (Figure 2-9).


2

Figure 2-9 Access Control Page

7. Accept the default, Owner, Group and World, then click Next. The Name Selection page appears (Figure 2-10).

Figure 2-10 Name Selection Page

8. Enter a name for your system in the System Name field. You can also enter comments in the System Comment field.


2

9. Click Finish. The Configuration Manager message box appears, informing you Empower successfully brought the system online (Figure 2-11).

Figure 2-11 Configuration Manager Message Box

10. Click OK. The Systems view of Configuration Manager lists the new system (Figure 2-12).

Figure 2-12 Configuration Manager Showing the Newly Created System

2.1.4 Creating an Empower Project

Before you can acquire and process data with Empower, you must create a project.

1. If Configuration Manager is not open, click Configure System in the Empower Pro window. Configuration Manager appears in the Projects view


2

2. Right-click Projects in the tree pane, then select New > Project. The New Project Wizard – Tablespace page appears (Figure 2-13).

Figure 2-13 Tablespace Page

3. Click Next to accept the defaults and open the Options page (Figure 2-14).

Figure 2-14 Options Page


2

4. Enable Mass Spectrometry, and other system options you want to apply, then click Next. The Access Control page appears.

5. Accept the default, Owner, Group and World, then click Next. The Copy Selection page (Figure 2-15).

Figure 2-15 Copy Selection Page

6. Ensure View Filters, Custom Fields, Methods, and Preferences are selected, then select Defaults from the From Project list.

7. Click Next. The Name Entry page appears (Figure 2-16).


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Figure 2-16 Name Entry Page

8. Type a project name – Tutorial, for instance – in the Project Name text box. Enter appropriate comments (up to 250 characters) in the Comment text box. Comments are optional, unless you selected Full Audit Trail from the Tablespace page. In that case, Empower requires them and displays the prompt shown in Figure 2-17.

Figure 2-17 Full Audit Trail Comment Prompt

9. Click Finish. Empower takes a few minutes to create the new project.


2

2.1.5 Opening the New Project1. Select and right-click the new project in Configuration Manager.

2. Select Open from the shortcut menu. The Project window appears, displaying the selected project name, Tutorial, in the title bar (Figure 2-18).

Figure 2-18 Project Window

2.2 Preparing the Instrument for Operation

Having already powered on the ZQ Mass Detector (Section 2.1.1), these steps remain to ready the instrument for use:

1. Confirming communication with Empower (Section 2.2.1)

2. Evacuating the analyser (Section 2.2.2)

3. Preparing the syringe pump (Section 2.2.3)


2

2.2.1 Obtaining System Information1. Select View > System from the Run Samples window (Figure 2-21). The System

Information dialog box appears (Figure 2-19).

Figure 2-19 System Information Dialog Box

If, for an instrument, the field in the OK? column indicates “No,” click Scan Instruments. The table should then display the missing instrument information as the acquisition server rescans the instrument list and recognizes the instrument.

2. Click OK to exit the dialog box once you establish communications status.

2.2.2 Evacuating the Analyser

To evacuate the analyser:

1. Click (Run Samples) in the Project window. The Select Desired Chromatography System dialog box appears (Figure 2-20).

Preparing the Instrument for Operation 29

2

Note: This dialog box appears only when two or more chromatographic systems are available. When the ZQ Mass Detector is the only system available, the dialog box does not appear. Instead, the Run Samples window appears immediatiately

Figure 2-20 Select Desired Chromatography System Dialog Box

2. Highlight your system name, and click OK.


2

The Run Samples window appears (Figure 2-21).

Figure 2-21 Run Samples Window

ZQ Control Panel


2

3. Click Tune Page… in the Run Samples window’s ZQ Control Panel. The Tune page appears, displaying the ES+ Source tab (Figure 2-22).

Figure 2-22 Tune Page Displaying the ES+ Source

4. Select Options > Pump from the Tune page to begin the evacuation. You can monitor the vacuum level by clicking (Vacuum) or by selecting Options > Vacuum Monitor.

Note: The instrument’s turbomolecular pump should reach 98 to 100% of turbo speed within 5 minutes after you select Pump. However, the embedded PC requires 3 minutes to initialize, so attaining turbo speed can require longer than 5 minutes.

5. Wait for the instrument evacuate sufficiently to operate. The vacuum LED on the instrument’s front panel indicates adequate vacuum when it stops blinking and remains lit.

6. Click in the Tune page to start nitrogen flowing to the source.

7. Click Press for Operate to shift the instrument to operating mode.

Vacuum Status

ES+

Tab PeakEditor

PeakDisplay

Operate/ Standby Toggle

and Indicator

Source


2

2.2.3 Preparing the Syringe and Syringe Pump

This section refers to the 250-mL Hamilton syringe, various syringe fittings, and sodium cesium iodide calibrant, all of which are in the accompanying Startup Kit.

1. Flush the syringe three times with methanol or a volume to volume mixture of 70% methanol : 30% water.

2. Load the syringe with the sodium cesium iodide calibrant.

3. Connect the Rheodyne 9013 needle port fitting into the PEEK union, finger tightening it.

4. Fit the syringe onto the pump, and set the syringe stop accordingly (Figure 2-23)

5. Connect the liquid line from the PEEK union to the inlet at the center of the ESI probe, finger tightening it at both ends.

6. Clip the ground cable (with plug-in clip), located on the lower-right side of the front panel, into the syringe needle..

Figure 2-23 Syringe Pump

Caution: Always ground the needle to avoid possible electrical shock.

Attention: The syringe pump includes a positive syringe stop to prevent certain syringe types from breaking. Nevertheless, as added protection against syringe breakage, you should set the syringe stop adjustor. This prevents the syringe plunger from traveling its full stroke inside the syringe barrel, reducing the potential for breakage.

��Syringe Stop Adjustor

Syringe

Needle Port


2

7. Select Options > Syringe Type from the Tune page (Figure 2-22). The Syringe Selection dialog box appears (Figure 2-24).

Figure 2-24 Syringe Selection Dialog Box

8. Ensure the drop-down list displays Hamilton 250uL, and click OK.

9. Set the syringe pump to deliver 10 µL/minute by entering that rate in the Pump Flow field of the Tune page Analyser tab (see Figure 4-3).


3

Chapter 3Calibrating the Mass Scale

The ZQ Mass Detector acquires data for single ions (SIR) and also for a range of ions (MS Scan). This chapter explains how to calibrate the mass scale.

3.1 Calibration Overview

Incorrect mass-to-charge readings indicate you must calibrate the mass scale. You should calibrate in electrospray (ES+ or ES-) mode, even if you intend to operate in APCI mode. (In the latter case you would remove the ES probe and replace it with the APCI probe after calibrating.)

You will perform these calibration tasks:

1. Set up the calibration file (Section 3.2).

2. Set calibration parameters, and start an automatic calibration (Section 3.3).

3. Review calibration results (Section 3.4).

3.2 Setting Up the Calibration File

Before calibrating, you must remove the current calibration file and select a reference file.

To remove the current calibration file and select a reference file:

1. Select Calibration > Calibrate Instrument from the Tune page (see Figure 2-22). The Calibration dialog box appears (Figure 3-1).

Calibration Overview 35

3
Figure 3-1 Calibration Dialog Box
2. Select NaICs2 from the reference file drop-down list to select the Reference file, if your ZQ Mass Detector is a 2000 model. Select NaICs4 if it is a 4000 model.

3. Select File > Open from the Calibration dialog box. The Open dialog box appears (Figure 3-2). Select Uncal.cal, and click Open. The Calibration screen reappears.

Figure 3-2 Open Dialog Box

4. Ensure the phrase “No Calibration” follows the three calibration types: Static, Scanning, and Scan Speed Compensation.

Reference FileList

Calibrating the Mass Scale 36

3

3.3 Setting Calibration Parameters

In Section 2.2.3, you loaded the syringe with the sodium cesium iodide calibrant. Now click (Syringe pump) from the Tune page to inject the material.

Set Calibration Parameters in these places:

• Tune page

• Calibration dialog box

• Instrument Threshold Settings dialog box

• Automatic Calibration Check dialog box

• Calibration Parameters dialog box

• Mass Measure dialog box

• Automatic Calibration dialog box

• Calibration Acquisition Setup dialog box

3.3.1 Tune Page Settings1. Click Press for Operate on the Tune page (see Figure 2-22).

2. Ensure the ES+ Source tab displays these gas flow rates and temperature settings:

3. Select check boxes 1 to 4 on the Tune page Peak Editor to specify four mass peaks in the Peak Display (see Figure 2-22).

Temperature Setting

Source 80 oC

Desolvation 150 oC

Gas Flow Setting

Desolvation 250 L/hr

Cone 50 L/hr

Setting Calibration Parameters 37

3

4. If your instrument is a ZQ Mass Detector model 2000, enter these values in the Peak Editor’s four rows:

If your instrument is a ZQ Mass Detector model 4000, enter these values in the Peak Editor’s four rows:

5. Maximize the signal intensity of the four mass peaks in the Tune page Peak Display:

a. Turn the probe adjustor knob (Figure 4-2) to adjust the orientation of the probe relative to the sample cone orifice.

b. Adjust the source parameters from the Tune page ES+ Source tab. These include Capillary, Extractor, RF lens, and Cone voltages, as well as desolvation and cone gas flows.

6. Adjust the slide adjustors for LM (low mass) Resolution, HM (high mass) Resolution, and Ion Energy on the Tune page Analyser tab (see Figure 4-3) to obtain a full-width-at-half-height measurement of 0.4 to 0.6 da.

Note: Ensure you can see all ions and that none are saturated on a gain of 1X.

3.3.2 Calibration Dialog Box Settings

You already encountered the Calibration dialog box (Figure 3-2) when you deleted the previous calibration. From it, you can also perform these actions:

• Start and stop calibrations

• Select and/or edit reference files

• Introduce air peaks into the mass range for reference

Row Mass Span Gain

1 172.9 5-10 1

2 772.5 5-10 1

3 1521.9 5-10 1

4 1971.6 5-10 1

Row Mass Span Gain

1 172.9 5-10 1

2 1521.9 5-10 1

3 2271.4 5-10 1

4 3470.5 5-10 1


3

Additionally, the Calibration dialog box displays status information that includes the calibrated mass range and previous calibration’s date and time.

3.3.3 Instrument Threshold Settings Dialog Box Settings

To enter instrument threshold values:

1. Select Options > Set Instrument Threshold from the Tune page. The Instrument Threshold Settings dialog box appears (Figure 3-3).

Figure 3-3 Instrument Threshold Settings Dialog Box

2. Enter these parameters for mass calibration, and click OK to save them:

Parameter Setting

Baseline Level 1.0

Points per Dalton 16

Minimum centroid height 2

Minimum points per peak 2

SIR Baseline Level 0

Threshold 0

Use Spike Removal Cleared

Analog samples/sec N/A


3

3.3.4 Automatic Calibration Check Dialog Box Settings

The Automatic Calibration Check dialog box contains parameter fields below whose values Empower does not report reference peaks and residuals. It also contains check fields that enable automatic span correction and calibration range monitoring.

1. Select Edit > AutoCal Check Parameters from the Calibration dialog box (Figure 3-1). The Automatic Calibration Check dialog box appears (Figure 3-4).

Figure 3-4 Automatic Calibration Check Dialog Box

2. Enter these parameter settings:

Parameter Setting

Missed Reference Peaks 2

Maximum Standard Deviation 0.20

Apply Span Correction Selected

Check Acquisition Calibration Ranges

Cleared


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3.3.5 Calibration Parameters Dialog Box Settings

Peak Match and Curve Fit parameters in the Calibration Parameters dialog box determine the location of the calibration spectrum’s reference peaks. They also determine how Empower draws a calibration curve to correct mass differences.

1. Select Edit > Calibration Parameters from the Calibration dialog box (Figure 3-1). The Calibration Parameters dialog box appears (Figure 3-5).

Figure 3-5 Calibration Parameters Dialog Box


3


3.3.6 Mass Measure Dialog Box Settings

Mass measure parameters control raw data conversion to centroid data. To set them:

1. Select Edit > Calibrate Quad Mass Measure Parameters from the Calibration dialog box (Figure 3-1). The Mass Measure dialog box appears (Figure 3-6).

Figure 3-6 Mass Measure Dialog Box

Parameter Setting

Perform auto peak matching Selected

Peak window 1.0

Initial error 2.0

Intensity threshold 0.01

Polynomial order 4

Intensity weighting Cleared

Calibrate display Selected


3


3.3.7 Automatic Calibration Dialog Box Settings

Empower automatically calibrates the instrument. To start the process:

1. Select Calibrate > Start Acquisition from the Calibration dialog box (Figure 3-1). The Automatic Calibration dialog box appears (Figure 3-7).

Figure 3-7 Automatic Calibration Dialog Box

Parameter Setting

Background subtract Selected

Polynomial order 2

Below curve 33.0

Smooth Selected

Peak width 0.50

Number of smooths 2

Savitzky Golay Selected

Min peak width at half height

4

Top Selected


3


3.3.8 Calibration Acquisition Setup Dialog Box Settings

Set acquisition and scan parameters in the Calibration Acquisition Setup dialog box.

1. Click Acquisition Parameters in the Automatic Calibration dialog box (Figure 3-7). The Calibration Acquisition Setup dialog box appears (Figure 3-8).

Figure 3-8 Calibration Acquisition Setup Dialog Box with Model 2000 Settings

Parameter Setting

Static Calibration Selected

Scanning Calibration Selected

Scan Speed Compensation Selected

Acquire & Calibrate Selected

Acquire & Verify Cleared

Print Report Selected


3

2. Click Default, and note the mass ranges that appear. These are specified in the reference file.

3. Enter these parameter settings according to whether your instrument is a ZQ Mass Detector model 2000 or 4000:

4. Click OK. The Automatic Calibration dialog box reappears (Figure 3-7).

5. Click OK in the Automatic Calibration dialog box to start calibrating.

6. When calibration ends, return to the Calibration dialog box (Figure 3-1).

7. Select File > Save As, and save calibration data as date.CAL, where date is the current date.

Parameter ZQ 2000 Setting ZQ 4000 Setting

Scan From 50 50

Scan To 2040 4080

Run Duration 1.0 2.0

Data Type Continuum Continuum

Static Span 4 4

Static Dwell 0.1 0.1

Slow Scan Time 10 20

Fast Time Scan 0.40 0.90

Inter Scan Delay 0.1 0.1


3

3.4 Reviewing Calibration Results

1. Select Calibrate > From File from the Calibration dialog box (Figure 3-1). The Display Calibration Graphs dialog box appears (Figure 3-9).

Figure 3-9 Display Calibration Graphs Dialog Box

2. Click Scan Speed Compensation for the calibration type.


3

3. Click Browse to open the Select file for calibration dialog box (Figure 3-10).

Figure 3-10 Select File for Calibration Dialog Box

4. Select FAST (for scan speed compensation) from the \Empower\ZQ\ZQ.pro\data directory.

5. Click OK. The raw data file for your calibration appears.

Compare the acquired spectrum’s mass assignments to those in the reference spectrum. If Empower incorrectly selected a particular mass, manually exclude it. Place the cursor over the incorrect mass, and right-click. If the correct mass appears, but is unassigned, include it by the same procedure. Empower will match it with the closest mass in the reference spectrum.

6. Save the edited calibration under the same file name as date.Cal, where date is the current date.

Reviewing Calibration Results 47

3

Calibration Report

When a calibration proves successful, Empower displays no output until it momentarily displays then prints the calibration report. However, if the standard deviation of a calibration’s residuals exceeds the preset maximum, Empower displays a set of calibration graphs in the Calibrate dialog box. These help you identify the problem (Figure 3-11).

Figure 3-11 Calibrate Dialog Box Showing ZQ-4000 Calibration Graphs

The top calibration graph shows the calibration file. The peak-matching algorithm, which matches calibration peaks to reference peaks, highlights the calibration peaks and shows them in a contrasting color.

The Data and Reference file graphs show the calibration spectrum with its highlighted peaks matched with reference peaks of a contrasting color. Other graphs show mass difference and residuals.

To update the calibration report:

1. Select Edit > Calibration Parameters from the Calibration dialog box. The Calibration Parameters dialog box appears (Figure 3-5).

2. Enter changes, and click OK.


To print the calibration report:

1. Click the Calibration dialog box (Figure 3-1) to activate it.

2. Click Yes to save changes in the calibration file. The Save As dialog box appears.

3. Enter a filename in the File name field, if necessary.

4. Click Save or Cancel. The Automatic Calibration dialog box appears (Figure 3-7).

5. Select Scan Speed Compensation as the calibration type.

6. Select Acquire & Calibrate and Acquire & Verify as the process methods.

7. Select the Print Report check box.

8. Click OK.

Calibration Warnings

If the instrument is uncalibrated, or if a channel falls outside the specified calibration range, Empower adds a warning message to the Project window’s Channel Description field.

These are the messages you might encounter:

• (Uncalibrated - the mass range of x.xx - x.xx is outside the calibration range of x.xx - x.xx)

• (Uncalibrated - the scan speed of x.xx amu/sec is outside the calibrated speed range of x.xx to x.xx amu/sec)

• (Uncalibrated - x.xx is outside the calibration range of x.xx - x.xx)

• (Uncalibrated - the span of x.xx amu is greater than the calibrated span of x.xx amu)

Reviewing Calibration Results 49

4

Chapter 4Tuning

Invalid peak shapes and subnormal intensities indicate the instrument needs tuning for optimal performance. Tuning involves adjusting analyser voltages, temperatures, and gas flows to produce optimal peak intensities. This chapter shows you how to tune the detector.

4.1 Preparing for Electrospray Operation

Clean and load the syringe with a reference solution appropriate for your sample of interest (this tutorial specifies an acetaminophen/caffeine mixture), and affix it to the syringe pump (see Section 2.2.3). You are now ready to tune the instrument.

4.2 ES+ Source Tab Parameters

The following list shows the ES+ Source tab parameters and their functions.

Caution: Always ground the syringe needle with the ground cable attached to the instrument’s lower-right side (see Section 2.2.3).

Parameter Function

Capillary voltage Controls ionization

Cone voltage Control the amount of sample electrostati-cally induced into the analyserExtractor voltage

RF Lens voltage

Source temperature Control the extent of solvent evaporation

Desolvation temperature

Desolvation gas flow

Cone gas flow

Preparing for Electrospray Operation 50

4

To set parameters:

1. Click Tune Page… in the Run Samples window’s ZQ Control Panel to open the Tune page, if it is not already open. The Tune page appears, showing the ES+ Source tab (see Figure 2-22).

2. Click to start the nitrogen flow, if it is not already flowing.

3. Verify that the instrument is operating. If it is not, click Press for Operate. As the instrument becomes operational, the Tune page shows peak activity in the Peak Display area (Figure 4-1).

Figure 4-1 Tune Page Displaying Peak Activity

STOPAttention: If the instrument’s nitrogen supply was shut off overnight, be sure the API Gas parameter on the Tune page is set to Off before restarting nitrogen flow. Failure to do this may damage the flow meter.

Peak Editor

Peak DisplayArea

Tuning 51

4

4. Enter parameter values in the ES+ Source tab fields. The following suggested values are commonly used for acetaminophen/caffeine:

5. Select all four Peak Editor windows, and enter the appropriate values for your reference solution.

These values are for a reference solution composed of acetaminophen and caffeine:

6. Click (Syringe pump) to deliver the reference sample to the instrument’s source.

7. Click the Analyser tab, and ensure the syringe pump flow rate is 10 µL/min.

8. Turn the probe adjustor in either direction to optimize peak intensities (Figure 4-2).

Parameter Suggested Value

Capillary (kV) 3.5

Cone (V) 60

Extractor (V) 3

RF Lens (V) 0

Source Temperature (oC) 80

Desolvation Temperature (oC) 150

Desolvation Gas Flow (L/hr) 300

Cone Gas Flow (L/hr) 50

STOPAttention: Allow the source temperature. desolvation gas flow, desolvation temperature, and cone gas flow to reach their setpoints before proceeding.

Mass Span Gain

152 5 1

174 5 1

195 5 1

217 5 1

ES+ Source Tab Parameters 52

4

Figure 4-2 ZQ Mass Detector Showing the Probe Adjustor

9. Further adjust the capillary, cone, extractor, and RF lens voltages to optimize peak intensities.

Note: Alternatively, you can use AutoTune to provide a reasonable starting point, following which you will need to refine voltage settings for optimal peak/mass intensity.

4.3 Analyser Tab Settings

Analyser settings optimize mass peak resolution. With span settings at 5, the bases of mass peaks as they appear on the Tune page Analyser tab should measure 1 amu.

1. Click the Analyser tab. The Tune page Analyser tab appears (Figure 4-3).

��

Probe Adjustor

Tuning 53

4

Figure 4-3 Tune Page Showing the Analyser Tab

2. Enter these parameters on the Analyser tab:

Note: You can optimize the signal by adjusting the value of HM (high mass) resolution.

Parameter Suggested Value

LM Resolution 15

HM Resolution 15

Ion Energy (V) 0.5

Multiplier (V) 475

Analyser Tab Settings 54

4

4.4 Monitoring Readbacks

1. Click the ES+ Source tab again. Check the readbacks, which appear in red, and make sure they match the values you set.

Note: Some readbacks serve a broad diagnostic purpose and therefore need not precisely reflect the set value. For example, voltage readbacks that mirror set values might not be critical to the instrument's proper operation. In such cases, whether voltage is present or not can be the critical consideration.

2. Let the ion beam stabilize for 3 to 5 minutes. Check for leaks at the probe and syringe fittings during this time.

3. Monitor for mass peaks. Peaks should appear at approximately the mass values you entered on the ES+ Source tab.

Tuning 55

5

Chapter 5Creating an MS Instrument Method and Method Set

Before you can run your sample, you must create an instrument method and method set. You will create the instrument method with the Instrument Method Editor and the method set with the Method Set wizard.

5.1 The Instrument Method Editor

The Instrument Method Editor comprises two separate but simultaneously appearing windows: main and secondary. The main editor window (Figure 5-1) includes a title bar, which displays the title “Instrument Method Editor.” Its upper-right corner contains the familiar controls for minimizing, maximizing, and exiting the window. In this tutorial, you will create an instrument method via this window.

Figure 5-1 Instrument Method Editor: Main Window Showing the General Tab for the 996 PDA

The Instrument Method Editor 56

5

The secondary editor window (Figure 5-2) displays no screen title and includes no controls to minimize, maximize, or exit the screen. It does, however, include a menu bar, several toolbars, and a function list. You will assign functions on the secondary window and save them using the main editor window. During the acquisition, the instrument will run those functions.

Figure 5-2 Instrument Method Editor: Secondary Window

5.1.1 Opening the Instrument Method Editor

The Instrument Method Editor opens from the Run Samples window or the Project window.

To open it from the Run Samples window (Figure 5-9), click Edit. The main and secondary windows (Figure 5-1 and Figure 5-2) appear simultaneously. If the ZQ instrument icon occupies the leftmost position on the main window, the secondary window is active. If the ZQ instrument icon lies to the right of any other instrument icon, click it to open the secondary window.

To open the Instrument Method Editor from the Project window, select File > New Method > Instrument Method (Figure 5-3).

Function List Area

Creating an MS Instrument Method and Method Set 57

5

Figure 5-3 Project Window Showing Path to the Instrument Method Editor

5.1.2 Using the Instrument Method Editor

Before you can save an instrument method in the main window, a least one function must appear on the secondary window’s function list (Section 5.1.3).

5.1.3 Adding an MS Scan Function to the Function List

To add an MS Scan function to the function List:

1. Click the ZQ icon at the top of the main editor window to activate the secondary window.


5

2. Click in the secondary window (Figure 5-2). The Function: n MS Scan dialog box (where n = the function list number) appears (Figure 5-4)

Figure 5-4 Function: n MS Scan Dialog Box

3. Enter appropriate Start and End masses for your sample.

4. Enter appropriate Start and End times for your sample.

5. Select Use Tune Page if you want to apply the Tune page Cone Voltage setting. Otherwise, enter a cone voltage value appropriate for your sample in the Cone Voltage field.

6. Set the ionization mode to ES+ or ES-.

7. Select the data type appropriate for your sample: Centroid or Continuum.

8. Set the Inter-Scan Delay to between 0.05 to 0.3.

9. Click OK to add the MS Scan function to the secondary window. Figure 5-5 shows the secondary window after an MS Scan function is assigned to the function list.


5

Figure 5-5 Instrument Method Editor: Secondary Window Showing an MS Scan Function

10. Add as many MS Scan functions to the function list as your analysis requires.

If you chose to enter only an MS function to the function list and do not want to add a SIR function, edit the other instruments as needed then save the instrument method (Section 5.1.7). If you do want to add a SIR function, continue with Section 5.1.4.


5

5.1.4 Adding a SIR Function to the Function List

SIR (Single Ion Recording) functions monitor only individual masses during an acquisition, not a mass range.

To add a SIR function to the function list:

1. Click the ZQ icon on the main editor window to open the secondary window.

2. Click in the secondary window (Figure 5-2). The Function: n SIR dialog box (where n = the function list number) appears (Figure 5-6).

Figure 5-6 Function: n SIR Dialog Box

3. Enter values that suit your sample in the Mass, Dwell and Cone fields, and click Add.

4. Set the Ionization mode to ES+ or ES-.

5. Set the Inter Scan Delay to between 0.05 to 0.3.

6. Select Use Tune Cone Settings if you want to apply the Tune page Cone Voltage setting. Alternatively, specify a Cone Volts value.

7. Enter an appropriate run time for your sample.


5

8. Click OK to exit the SIR function editor and return to the secondary window. Figure 5-7 shows the secondary window after a SIR function has been added to a function list that already includes an MS function.

Figure 5-7 Instrument Method Editor: Secondary Window Showing MS Scan and SIR Functions

5.1.5 Changing Function List Start and End Times

Although this tutorial does not require you to change a function’s start and end times, you can do so easily. Simply enter a new value in the field, and click to set the total run time. Note the ratio of the defined functions remains unchanged. Thus for two functions, one from 0 to 5 minutes and the other from 5 to 10 minutes, a total run time of 10 minutes is specified. If you change the total run time to 20 minutes, and click , the first function now runs from 0 to 10 minutes and the second from 10 to 20 minutes.

5.1.6 Changing Function Order

Functions appear in order of ascending start and end times. You cannot change this order. Nevertheless, you can change the processing order for functions with identical start and end times. To do so, highlight the function, and click (repeatedly, if necessary) to move the function to the position on the list you prefer.


5

If you chose only to enter an MS function to the function list and do not want to add a SIR function, you must save the instrument method now. If you do want to add a SIR function, see Section 5.1.3.

5.1.7 Saving the Instrument Method

To save the instrument method:

1. Select File > Save As from the main editor window to open the Save current Instrument Method dialog box (Figure 5-8).

Figure 5-8 Save Current Instrument Method Dialog Box

2. Enter a name for the instrument method, such as ZQ Tutorial, in the Name field.

3. Select File > Exit to quit the dialog box.


5

5.2 Creating the Method Set

Having saved the instrument method, you must now include it in a method set. Method sets can contain instrument, processing, report, and export methods. Nevertheless, your method set for this tutorial will include only the instrument method you saved.

To create the method set:

1. Click the Single tab on the Run Samples window. The Single Inject page opens (Figure 5-9).

Figure 5-9 Run Samples Window with Single Inject Panel Open

Single InjectPanel

Creating the Method Set 64

5

2. Click Develop Methods. The New Method Set wizard: Select Instrument Method page appears (Figure 5-10).

Figure 5-10 Select Instrument Method Page

3. Select the method you saved in Section 5.1.7, and click Next. The Select Default Methods page appears (Figure 5-11).

Figure 5-11 Select Default Methods Page


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4. Accept the defaults (No Processing), and click Next. The Name Method Set page appears (Figure 5-12).

Figure 5-12 Name Method Set Page

You can also open the New Method Set wizard using the Project window (Figure 5-13). To do, select File > New Method > Method Set.

Figure 5-13 Project Window Showing Path to the New Method Set Editor

Creating the Method Set 66

5

To open the Method Set wizard via the Run Samples window:

1. Select Edit > New Method Set. The Run Samples prompt appears (Figure 5-14).

Figure 5-14 Run Samples Prompt

2. Click Yes to use the wizard, then follow the wizard prompts.


6
Chapter 6Running the Sample
Once you create a method set, you are ready to run the sample and acquire data.

To run the sample:

1. Specify a name for your sample in the Sample Name field of the Run Samples window’s Single Inject page (see Figure 5-9).

2. Ensure Inject Standards appears in the Function field.

3. Select the method set you saved in Section 5.2 from the Method Set list.

4. Enter the number for the autosampler well or vial position the sample occupies.

5. Enter the sample volume, in microliters, in the Injection Volume field.

6. Enter the run time in the Run Time field.

7. Click (Inject). After a 3- to 4- minute delay, the Run Samples Monitor pane begins to display run data, by channel, as the instrument acquires them (Figure 6-1).

Figure 6-1 Run Samples Window Showing Active Data Channels

Monitor Pane

68

6

Once the run ends, you can view and interact with the data in Review. Figure 6-2 shows run results in the Review Main window. For information about Review, consult the Empower Software Getting Started Guide.

Figure 6-2 Run Results in Review

Running the Sample 69

I NDEX

Index

AAcetaminophen/caffeine, ES+ Source

parameters 52Adding a SIR function 61Analyser and source, evacuating 29Analyser tab, settings 53API gas, starting 32Automatic Calibration Check dialog box 40Automatic Calibration dialog box 43

CCalibrating mass scale 35Calibration Acquisition Setup dialog box 44Calibration dialog box 38Calibration file, setting up 35Calibration overview 35Calibration Parameters dialog box 41Calibration parameters, setting 37Calibration report 48Calibration results

checking 46reviewing 46

Calibration warnings 49Changing

function order 62start and end times of functions 62

Checking calibration results 46Configuration Manager 24Conventions, documentation 12Creating

projects 24

DDialog boxes

Automatic Calibration 43

Automatic Calibration Check 40Calibration 38Calibration Acquisition Setup 44Calibration Parameters 41Instrument Threshold Settings 39Mass Measure 42MS Scan 59SIR 61Syringe Selection 34

Documentationconventions 12related 8

EElectrospray operation 50Empower software

basic functions 18overview 16

ES+ Source tabparameters 50parameters for acetaminophin/caffeine

52Evacuating the analyser and source 29

FFunctions, changing start and end times 62

IInstrument Method Editor

main window 56overview 56secondary window 57

Instrument Threshold Settings dialog box 39

Index 70

INDEX

LLogin defaults 18

MMass analyser 15Mass detector overview 14Mass detector, powering on 18Mass Measure dialog box 42Mass scale, calibrating 35Monitoring readbacks 55MS Scan dialog box 59

OOpening new projects 28Operation, preparing for 28Overview

Calibration 35Empower software 16Instrument Method Editor 56mass detector 14

PParameters

acquisition and scan 44Analyser tab 54calibration 37ES+ Source tab 50

Password, default 18Powering on the mass detector 18Preparation

for operation 28syringe and syringe pump 33system startup 17

Printing calibration report 48Probe adjustor 52

I

Projectscreating 24opening 28

RReadbacks, monitoring 55Related documentation 8Reviewing calibration results 46

SSample inlet 15Setting acquisition and scan parameters 44Setting up the calibration file 35Settings

Analyser tab 53calibration 37Tune page 37

SIR dialog box 61SIR function, adding 61Syringe pump, preparing 33Syringe Selection dialog box 34Syringe stop 33System

password 18System startup and preparation tasks 17

TTune page, settings 37Turbomolecular pump 15, 32

VVacuum, system 15

WWarnings, calibration 49

Index 71

Documents

Empower ZQ Mass Detector Software - Waters Corporation · The Empower ZQ Mass Detector Software Getting Started Guide includes tutorials that demonstrate how to operate the Waters®