225-45805

Apr. 2022

1. Startup ....................................... 12
Startup.......................................

(LC).... 15
2. Set the Instrument Parameters (LC)....

LabSolutions™ CL (LC)......................... 20
3. Single Run (LC).........................

(LC)..................... 22
4. Data Analysis (LC).....................

(LCMS).................... 28
5. Single Run (LCMS)....................
Getting Started Guide 5.1 File........................................ 28
Create a Method File.
5.2 Optimization..................... 29
Prepare for Method Optimization.....................
Chapters with the suffix “(LC)” is for the system without a 5.3 Control............................................ 31
Instrument Control.
mass spectrometer.
5.4 Optimization.......................... 32
Execute Method Optimization..........................
Chapters with the suffix “(LCMS)” is for the system with a
5.5 Run................... 39
Set the Parameters for Single Run.
mass spectrometer.
5.6 Time.... 42
Execute Single Run to Determine Retention Time.

6. Confirm Single Run Results

...................................... 44
(LCMS)......................................
(LCMS)
6.1 Open the Results of Single Run in
Window....................... 44
the [MS Data Analysis] Window.......................
6.2 Setup.................................... 46
Compound Table Setup....................................
6.3 Results..................................................... 51
Print Results.....................................................

Batch.......................... 55
7. Realtime Batch..........................
7.1 Table........................................ 55
Create a Batch Table........................................
7.2 Processing.............................. 60
Realtime Batch Processing..............................
7.3 Reports....................... 63
Print Batch Processing Reports.......................

Analysis......... 66
8. Quantitative Data Analysis.........
8.1 Confirm Quantitative Results in the [Quant
Window............................................. 66
Browser] Window.............................................
8.2 Re-Integrate.... 68
Edit Integration Parameters and Re-Integrate.
8.3 Print a Summary Report from
Window............................ 72
the [Quant Browser] Window.

Analysis........... 73
9. Qualitative Data Analysis...........
9.1 Window.... 73
Display Data Files in the [Data Browser] Window.
9.2 Settings................ 75
Change the Display Layout Settings................
9.3 Chromatograms... 77
Compare Different Types of Chromatograms...
9.4 Function............................. 79
Use the Cell Fixed Function.............................
9.5 Qualitative Processing in the [Data Browser]
Window.............................................................. 81
Window
9.6 Window............. 85
Print from the [Data Browser] Window.............

(LC)........................... 87
10. Shutdown (LC)...........................

(LCMS)...................... 89
11. Shutdown (LCMS).
 NOTICES
• All rights reserved, including those to reproduce this manual or parts
thereof in any form without permission from Shimadzu Corporation.

• The information in this manual is subject to change without notice and

does not represent a commitment on the part of the vendor.

• Any errors or omissions which may have occurred in this manual despite
the utmost care taken in its production will be corrected as soon as
possible, although not necessarily immediately after detection.

• Maintenance parts for this product are provided for seven years after
production has stopped. Please note that we may not be able to provide
maintenance parts after this period. However, for parts that are not
genuine Shimadzu parts, the period of provision is determined by the
manufacturer.

• The contents of the hard disk in a PC can be lost due to an accident.

Back up your hard disk to protect your important data from accidents.

• If the user or usage location changes, ensure that this Instruction Manual
is always kept together with the product.

• If this manual is lost or damaged, immediately contact your Shimadzu

representative to request a replacement.

• Windows is a registered trademark of Microsoft Corporation in the United

States and/or other countries.

• Third-party trademarks and trade names may be used in this publication

to refer to either the entities or their products/services, whether or not
they are used with trademark symbol “TM” or “®”.

• Screenshots of Microsoft products are used in accordance with

guidelines from Microsoft Corporation.

• Original version is approved in English.

©2022 Shimadzu Corporation. All rights reserved.

Specific model names are not indicated in the descriptions common to

LCMS instruments.
“LCMS/MS” is indicated in the descriptions common to LCMS-8045 CL/
LCMS-8050 CL/LCMS-8060 CL/LCMS-8060NX CL.

2 Getting Started Guide

Types of Manuals
Five Instruction Manuals are provided with LabSolutions.
You can also refer to the software [Help] menu to confirm screen settings.
The following shows how to make the best use of the manuals.

„ Getting Started Guide

This manual is for first-time users.
Follow the sequence of procedures in this guide to gain an
understanding of basic LabSolutions operations.

„ Operators Guide „ System Users Guide

This manual gives comprehensive This manual describes system
information about overall data acquisition administration and data administration.
operations in LabSolutions, such as
system configuration, data analysis,
batch processing, and report functions.

„ Data Acquisition &

Processing Theory Guide
This manual describes the theory of
peak detection and quantitation of
sample components. It is written for
advanced users.

„ Help The meanings of symbols used in this

manual are as follows.
Refer to the on-screen software Help
Useful advice for convenient
menu if you want to know more about b instrument operation
screen settings.
Shows where to refer to.
B
Additional information that
may be useful for instrument
operation

Getting Started Guide 3

What LabSolutions Can Do
LabSolutions software is very easy to use, while incorporating high-grade functions. It provides
powerful support for automating and improving the efficiency of sequential data acquisition and
analysis operations.
Use LabSolutions to perform the following operations:

• Data acquisition and control of analytical instruments

• Data analysis and viewing of data
• Creation and printing of various customizable reports

System Structure
This Getting Started Guide describes data acquisition operations with the assumption that the system
includes the following instruments. Mass spectrometer is not available depending on the system
configuration.
The chapters with the suffix “(LC)” is for the system without a mass spectrometer. The chapters with
the suffix “(LCMS)” is for the system with a mass spectrometer.

High-pressure gradient system

• System Controller ···· CBM-40 CL • Pump ···················· LC-40D XR CL (2 units)

• Column Oven ········· CTO-40C CL • Detector ················ SPD-40 CL
• Autosampler ··········· SIL-40C XR CL • MS Detector ··········· LCMS-8060NX CL
• Degassing Unit ······· DGU-405 CL

DGU-
CBM-40
405 CL
CL

LC-40D
SPD-40
XR CL
CL

LC-40D
LCMS-
XR CL
8060NX
CTO- CL
40C CL
SIL-40C
XR CL

4 Getting Started Guide

Acquisition Conditions
To acquire data as described in this Getting Started Guide, prepare a column, mobile phase, and
samples as follows.

LC
Shim-pack VP-ODS
Column
(150 mm L × 4.6 mm I.D., 5 μm)
Mobile Phase Pump A = Water, Pump B = Acetonitrile
Flow Rate (Mobile Phase) 1.0 mL/min
Column Temperature 40 °C
Detection Wavelength 254 nm
Sample Injection Volume 10 μL
Mixtures of para hydroxy benzonic acid ester (paraben mixed
Sample sample) 10, 20 and 40 ppm standard samples, and 2 unknown
samples

LCMS

Shim-pack XR-ODS
Column 30 mm × 2.0 mm I.D., 2.2 μm
(Shimadzu P/N 228-41605-91 or equiv.)

Binary Gradient Mode

Pump A: 0.1 % formic acid solution
Mobile Phase
Pump B: 0.1 % formic acid solution /
99.9% acetonitrile

Samples used for optimizing methods

A (Procaine): 0.5 ng/μL solution
B (Verapamil): 0.5 ng/μL solution
C (Warfarin): 0.5 ng/μL solution
Samples used for creating calibration curves
Samples A, B, C 0.01 ng/μL mixture (standard sample)
A, B, C 0.05 ng/μL mixture (standard sample)
A, B, C 0.1 ng/μL mixture (standard sample)
A, B, C 0.5 ng/μL mixture (standard sample)
Unknown (to be quantitated) sample
(A, B, C 0.075 ng/μL mixture)

Getting Started Guide 5

File Types
Data file (.lcd)
This file contains all analysis results and acquisition information from the
following files.

Method file (.lcm) Batch file (.lcb) Report format file (.lsr)
Acquisition conditions, This file is used for This file is used to print
analysis conditions, continuous data acquisition data acquisition results.
calibration curve of sequential samples.
information, etc.

6 Getting Started Guide

LabSolutions Main Window
The analytical instruments connected to the PC are
displayed as icons.
Double-click an instrument icon to start the [Realtime
Analysis] program where data acquisition settings
are set and data is acquired.

Displays the icons for the [Postrun Analysis]

program (data analysis), and the [Browser] program
(chromatogram display and quantitative calculation
of results).

Displays the icons of the system administration

programs for setting security policies, performing
user administration and accessing the log browser.

Displays the icons for the various PDF manuals and

Help menu provided with LabSolutions.

LabSolutions Main Programs and Main Windows

[Realtime Analysis] program [Postrun Analysis] program [Browser] program

[Realtime Batch] [Quant Browser]

[Data Acquisition] [Data Analysis] [MS Data Analysis] [Data Browser]
window window
window window window for analyzing data
window
for continuous data
for acquiring data for analyzing data for analyzing data for comparing data
acquisition from multiple
samples

Getting Started Guide 7

 LabSolutions Windows
The following example describes the 1
[Postrun Analysis] program window.
4
2 3

5
1
Title Bar

This bar displays the names

of the current program,
window, loaded file, and
other information.

Menu Bar Toolbar

This bar displays the current window and menus This bar displays icons of frequently used menu
that are available based on the operating rights of items and icons for operating analytical instruments.
the current user.

2 3 4
Assistant Bar Data Explorer Window

This bar displays This sub-window In the [Realtime Analysis] program, [Data Acquisition],
icons for displays the names of [Realtime Batch] and other windows are displayed as
frequently used files in the selected icons on the assistant bar.
data acquisition folder. In the [Postrun Analysis] program, [Data Analysis],
operations. Click to change [Calibration Curve], [Report Format], and other windows
folders. are displayed.
Switch the windows by clicking the icons on the
assistant bar.

5 Output Window
This window displays an operation history of data acquisition and error messages that occur.

8 Getting Started Guide

How to Open Windows

„ Set the Data Acquisition Parameters and Execute a Single Run

Open the [Data Acquisition] window from the main window.
$ 3. Single Run (LC)
▼ Main window
$ 5. Single Run (LCMS)

1 ▼ [Realtime Analysis] program

2
▼ [Data Acquisition] window

„ Data Analysis and Quantitative Calculations (LC)

Open the [Data Analysis] window from the main window. $ 4. Data Analysis (LC)
▼ Main window

2 ▼[Postrun Analysis] program

1 3 ▼[Data Analysis] window

Getting Started Guide 9

 „ MS Data Analysis and Qualitative Calculations (LCMS)
Open the [MS Data Analysis] window from the main window.
▼ Main window
$ 6. Confirm Single Run Results (LCMS)
▼ [Realtime Analysis] program

2
▼ [MS Data Analysis] window
1 3

„ Continuous Data Acquisition of Sequential Samples

Open the [Realtime Batch] window from the main window. $ 7. Realtime Batch
▼ Main window

▼ [Realtime Analysis] program

1
2

▼ [Realtime Batch] window

10 Getting Started Guide

„ Confirm Quantitative Results
Open the [Quant Browser] window from the main window. $ 8. Quantitative Data Analysis
▼ Main window

▼ [Browser] program
1 2 ▼ [Quant Browser] window

„ Compare Data
▼ [Data Browser] window
Open the [Data Browser]
window from the main window.

$ 9. Qualitative Data Analysis

Getting Started Guide 11

Chapter 1. Startup

1 Check the connections.

Ensure that all of the units (pump, autosampler, column
oven, and detector) of the analytical instruments are
connected to the system controller and optical link
cables.

2 Turn ON all of the instruments.

Turn the switch at the rear of LCMS-
DGU-
CBM-40 8060NX on.
405 CL
CL
D The switch is normally already on.
LC-40D
XR CL SPD-40
CL

LC-40D
XR CL LCMS-
CTO- 8060NX
40C CL CL
SIL-40C
XR CL

3 Confirm that nitrogen gas and argon gas are being supplied to
the MS instrument.

4 Start the PC.

5 Verify that the [LabSolutions Service] icon in the system tray on

the Taskbar is green.

Icon Color LabSolutions Status Operation

Green Normal
Yellow Starting up Please wait
Red Error Please restart the PC.

12 Getting Started Guide

6

Chapter 1
Double-click on the desktop.

7 Log in.

1
[User ID:] : Admin

8 Start the [Realtime Analysis] program.

1
2
Double click

Getting Started Guide 13

 9 Open the [Data Acquisition] window.

D If the [Main] assistant D Click if the assistant

bar is not displayed, bar is not displayed.
click the [Main] button.

2
[Ready] must be displayed for all of the system
components.

D Follow the recommendations below if

[Not Connected] is displayed.
• Ensure that the power is ON.
• Ensure that instruments are connected correctly.
• Ensure that the system configuration settings
are correct in the [System Configuration]
sub-window.

14 Getting Started Guide

Chapter 2. Set the Instrument Parameters (LC)
The data acquisition method (instrument parameters) are saved to the method file after they have been
set in [Instrument Parameters View] in the [Data Acquisition] window.
This chapter explains how to set the instrument parameters.

Chapter 2
1 Open the [Data Acquisition] window.

2 Set each of the parameters on the [Simple Settings] tab.

LC Stop Time : 10.00 min

1
2
5
3 Set [Detector A] to .
Wavelength Ch1 : 254 nm
4 End Time : 10.00 min

Mode : Binary gradient Set [Oven] to .

T.Flow : 1.0000 mL/min Temperature : 40 °C
B.Conc: 45 %

$ Refer to P.5 for details on data acquisition

conditions.

$ Refer to “Set the Instrument Parameters” of the “LC

Data Acquisition” chapter in the Operators Guide for LC
system for details on instrument parameters.

Getting Started Guide 15

 3 Save the data acquisition conditions.

The folder initially displayed here is the default

folder.
To change the default folder,
$ “Default Folder and
Change the Default Folder” P.16

Enter “Method1”. Click here to download the

data acquisition conditions
2 3 to the instrument.

LabSolutions

S UPPLEMENT Default Folder and

Change the Default Folder

Set this sub-window when changing

1 the folder or creating a new folder.

This folder is the

default folder.

16 Getting Started Guide

LabSolutions

S UPPLEMENT Control Panel

Using the control panel, you can edit data acquisition conditions (instrument
parameters), check instrument status, and control the instrument. This section

Chapter 2
describes how to set instrument parameters using the control panel.

This part is called control panel. The

instrument status can be checked.

Set data acquisition conditions

(instrument parameters).

Click here to download the data acquisition

3 conditions to the instrument and to close
this sub-window.

D Switching Display Settings

In the [Display Settings of Instrument Parameter View] sub-window, you can select displaying
either the control panel or the instrument parameter view.

Getting Started Guide 17

 LabSolutions

S UPPLEMENT Baseline Check

By the baseline check, you can check whether or not noise and drift values on the
baseline are within the preset time and at the threshold or below.
Baseline check parameters are saved in the method file.

1 Set [Baseline Check Parameters].

2
3
4

Set both [Noise] and [Drift] to , and enter [Start], [End] and [Threshold].

D In the [Baseline Check] sub-window, the noise calculation method can be changed, and the
maximum delay time when the result of the baseline check is [Fail] within the preset time.

B Help for details.

2 Perform the baseline check.

After measurement ends, the check results are

displayed in [Baseline Check Results] sub-window and
[Output Window].

[Output Window]

Baseline Check Results

18 Getting Started Guide

LabSolutions

S UPPLEMENT Slope Test

By performing the Slope Test, the peak detection sensitivity (Slope value) of peak
integration parameters can be automatically set from the status of the noise and
drift appearing on the chromatogram before data acquisition.

Chapter 2
This section describes the Slope Test.

D • Slope values refer to the numerical values for determining the peak start
and end points.
To be more precise, the peak start point is judged when a ascent slope
exceeds the preset value, and, alternatively, the peak end point is judged
when a descent slope falls below the preset value.
• Optimum Slope values can be obtained from the data by the Slope Test.

This menu is displayed by right-

clicking on [Chromatogram View].

The measurement result is

displayed when the test ends. To apply the measurement result to the
peak integration parameters, click here.

D To make preset values clearer, set a value rounded up to

the nearest integer larger than the displayed slope value.
For example, set “1000” for “986.36”.

Getting Started Guide 19

Chapter 3. Single Run (LC)
This chapter describes the operation of measuring a standard sample once only (single run) using a
saved method file “Tutorial_Method.lcm”.
First, perform single run using a standard sample.

1 Open the [Data Acquisition] window.

2 Open the [Single Run] sub-window.

The [Single Run] sub-window opens.

20 Getting Started Guide

3 Set the conditions for a single run.
In this example, set the conditions for pouring 10 ppm
of paraben mixed sample into vial No.1 on the
autosampler, and injecting 10 μL of that sample.

Chapter 3
1
Enter “Test”.

2
Vial# :1
Injection Volume : 10 µL
Tray :1

3
Click here to start
the acquisition.

D Data acquisition automatically ends

when the [LC Stop Time] set in the The status changes to
method file is exceeded. when data acquisition ends.

D Click here to cancel data

acquisition midway.

Getting Started Guide 21

Chapter 4. Data Analysis (LC)
After single run ends, check the data to see if the peaks have been detected correctly.
This chapter describes how to change the peak integration conditions of the data file “Test.lcd”
obtained by performing single run to optimize the peak integration parameters.

1 Open the [Postrun Analysis] program.

1 2
Double click

2 Open the [Data Analysis] window.

D Click here if the [Main] assistant bar is not
displayed.

The [Data Analysis] window opens.

22 Getting Started Guide

3 Display “Test.lcd”.

1
Double click

Chapter 4
Click on the [Data Explorer] sub-window,
and double-click “Test”.

$ Refer to “Data Analysis” chapter in Operators Guide for

LC System for details on the “Data Analysis” window.

Continued on the following page

Getting Started Guide 23

 4 Enter the peak integration parameters.

Click to edit each

parameter value.
Click to perform
processing on the data, and
the processing results are
displayed in [Chromatogram
View] and [Results View -
Peak Table].

2 5 1

3
4
Width : 5 sec
Slope : 1000 uV/min

D Width values refer to the minimum half-width value (height 1/2 width) of the peak to detect.
Noise peaks are removed by optimizing the Width value.
Determine the start and end points of the peak by the Slope value.
The positions where the absolute values of the baseline slope become these values are the start
and end points of the peak.

$ 
Refer to “Peak Integration Parameters” of the “Data Analysis” chapter in LC Operators
Guide for details on the Peak Integration Parameters.

24 Getting Started Guide

5 Enter the quantitative parameters.

D Click to enlarge
the window.

Chapter 4
ZOOM
UP

1
2
3
Quantitative Method : External Standard

# of Calib. Levels : 3
5
X Axis of Calib. Curve : Conc.

D • The [External Standard] method involves calculating

concentrations from the peak area (height) of unknown samples
using a calibration curve made based on a standard sample.
• 
At [# of Calib. Levels], set the number of concentration points for
the standard sample required for creating the calibration curve.
• 
When creating calibration curves with the least squares method,
set [X Axis of Calib. Curve] to [Conc.].

Continued on the following page

Getting Started Guide 25

 6 Fill in the Compound Table.

ZOOM
UP

3
1
2

Name Type Ret. Time Conc.(1) Conc.(2) Conc.(3) Click to change

Methylparaben Target 3.046 10 20 40
the cell background
color to yellow to
Ethylparaben Target 3.924 10 20 40 fix the newly edited
Propylparaben Target 5.505 10 20 40 parameters.

Butylparaben Target 8.267 10 20 40

D • The result obtained by performing data acquisition is used for [Ret. Time].
• 
Selecting the [Ret. Time] cell, and clicking the peak in [Chromatogram View]
automatically enters the retention time of that peak to the currently selected
[Ret. Time] cell.
The retention time can be set by simply clicking the mouse.

$ Refer to “Compound Table Retention Times Using the

Mouse” of the “Data Analysis” chapter in the Operators
Guide for LC System for details on setting retention
times.

26 Getting Started Guide

7 Save the processing results to a data file.
Click here to save the processing
results to “test.lcd”.

Chapter 4
Save the method file.

Click here to open the [Save Method Click here to save the new
As] sub-window. data processing parameters to
“Tutorial_Method.lcm”.

4
6
2 5

Select “Tutorial_Method”.

3
Set to

D To use saved data processing parameters for other data, perform either of the following
operations to save the new data processing parameters to the method file (in this example,
“Tutorial_Method.lcm”).
• 
Click [Save Data and Method File] on the [File] menu.
• 
Click (Apply to Method) on the [Data Analysis] assistant bar (operation in step 8 above).

Getting Started Guide 27

Chapter 5. Single Run (LCMS)
Set the LC instrument parameters and MS instrument parameters (acquisition conditions) in the [Data
Acquisition] window, and perform method optimization and single run.

5.1 Create a Method File

1 Click [New] on the toolbar.

Click

D When the “Save current

Method File?” message is
displayed, select [No].

28 Getting Started Guide

 5.2 Prepare for Method Optimization

5.2 Prepare for Method Optimization

MRM (Multiple Reaction Monitoring) measurement on the LCMS/MS enables high-sensitivity
quantitative data acquisition.
The optimum conditions for MRM data acquisition can automatically be determined by executing
method optimization.
In this example, we enter the 3-component precursor m/z to be used for quantitative data acquisition,
and set the parameters for executing flow injection analysis (FIA) in preparation for executing the
method optimization.

$ “8 Method Optimization” in Operators Guide for LCMS/MS

system.

1 Remove the column.

Remove the column if it is installed on the CTO-40C
CL.

2 Set the type of autosampler rack.

Chapter 5
1
2

Getting Started Guide 29

 3 Set the LC instrument parameters.

3
[LC Stop Time] : 0.5

1 6
2

4 5
[Mode] : Binary gradient [End Time] : 0.5
[Total Flow] : 0.2
[Pump B Conc.] : 70

Pump Pressure Limits

The maximum column pressure (pressure resistance) value is specified in the column’s instruction manual. Use the
following procedure to set the pressure threshold (typically, the column’s pressure resistance) at which the pump
automatically stops to protect the column. This procedure changes the upper pressure value to 70 MPa, as an example.

1
2

3
[Maximum] : 70

30 Getting Started Guide

 5.3 Instrument Control

5.3 Instrument Control

1 Take control of the instrument.

The DL plug must be removed before starting analysis.

1 2
Click Click

To start operation of To start operation of

the LC instrument the MS instrument

Chapter 5
2 Purge the LC pump and the autosampler.
Always purge after changing the mobile phase.

Set the interface temperature and the gas flow

The interface temperature and the gas flow are set according to the following procedure.

1
2
3

Getting Started Guide 31

 5.4 Execute Method Optimization
Determine the optimum parameters for MRM data acquisition of each sample by executing method
optimization.

$ “8 Method Optimization” in Operators Guide for LCMS/MS

system.

1 Place the samples in the autosampler.

Vial 1, sample A 0.5 ng/μL solution
Vial
Vial 2, sample B 0.5 ng/μL solution Sample Rack
Vial 3, sample C 0.5 ng/μL solution

2 Click [Optimization for Method] on the [Acquisition] assistant bar.

32 Getting Started Guide

 5.4 Execute Method Optimization

3 Save the method file.

1
[File name]: Method1

D This sub-window is not displayed when a method file

is already saved.

4 Select [Optimize MRM event from precursor ion search].

Chapter 5
1

Getting Started Guide 33

 5 Set the parameters.

1
2
5

4
3

6
7

1 Check [Optimize Voltage].

2 Set the parameters for selecting precursor ions.

3 Set the information of compounds to be searched for.

#1 #2 #3
[Compound Name] A B C
[Molecular weight] 236.10 454.20 308.10
[+/-] +/- +/- +/-
[Start (min)] 0.0 0.0 0.0
[End (min)] 0.5 0.5 0.5
[Vial#] 1 2 3
[Tray] 1 1 1
[Inj Vol.] 1.0 1.0 1.0

34 Getting Started Guide

 5.4 Execute Method Optimization

4 Set the adduct ions and the range for charge.

5
Set automatic selection conditions for the product
m/z.

[Select peaks with intensity order] : 1

Chapter 5
6
A subfolder is created under the folder specified
here. The name of the subfolder is determined by
the date and time. The files automatically created
during the optimization are output in this folder.

D To check detailed results, open the target data file in

the [MS Data Analysis] window.

7
Select [Apply to method file].

8
Open the [Confirming Precursor Ion for Optimize
Method] sub-window.

Getting Started Guide 35

 6 Confirm the calculated precursor m/z and start the method
optimization.

Measurement having a data acquisition time of 0.5

minutes is repeated 15 times.

After the method optimization is completed, the word

“Completed” is displayed on the window.

3
To check optimization results,
click [Details].

36 Getting Started Guide

 5.4 Execute Method Optimization

7 Confirm that the summaries of the method optimization results

are OK and close the [Method Optimization Results] sub-window.

Chapter 5
The results reflected in the method parameters.

Getting Started Guide 37

 Precursor ion m/z values can be easily calculated by the combination of molecular weight set in the [Condition Settings
for Optimize Method] sub-window and adduct ions, polarities, and charges set in the [Adduct Ion Settings] sub-window.
When the peaks of precursor ion are observed, the m/z values (molecular weight + adduct) are used. Also, the
precursor ion m/z to use are not actual measured values when observing peaks but theoretical values by calculating.

Enter molecular weight

for 3 compounds.

Set adduct ions with different polarities.

Set the range of charge.

The calculated precursor ions m/z values are displayed on a list.

38 Getting Started Guide

 5.5 Set the Parameters for Single Run

5.5 Set the Parameters for Single Run

Prepare single run for determining the retention time of the sample.

1 Install the column.

Open the CTO-40C CL door, and install the column.

2 Set the MS instrument parameters.

Chapter 5
2 Select event #1 and display
the right-click menu.

1 Enter the acquisition

time of event #1. 3
Select [Set same
[Acq. Time]: 0 - 2.5 measurement time].

Getting Started Guide 39

 Switch the Polarity for Each Event

On the LCMS/MS, MS conditions are switched successively in a single data acquisition. Each individual MS condition is
called an “event,” and polarity can be set to each event. When “MRM” is selected as the acquisition type for an event,
set a combination of [Precursor m/z] and [Product m/z] for each channel (Ch) in the MRM Table. When optimizing methods,
create one event for each single component. In this guide, three “MRM” events are prepared for quantitative acquisition
of three components, and method optimization is executed for determining the optimum [Product m/z]. If multiple events
are registered, when the “event time” set for the currently executed event elapses, the next scheduled event is executed.
When the last event registered to a specific time ends the first
event starts over. (In the case of 1 [min] in the example in the
figure below, Event 1 → Event 2 → Event 1, and in the case
of 2 [min], Event 2 → Event 3 → Event 2, and so forth) The
time taken to complete a single cycle is called the “loop time.”

Select the event polarity.

Click the acquisition

type of the event.

The Event Table is

displayed.

Enter a combination of [Precursor m/z]

and [Product m/z] for each channel (Ch)
in the MRM Table.

D “237.10 > 100.00” indicates migration of MRM. The left side separated by the “>” is expressed as [Precursor m/z]
and the right side is expressed as [Product m/z].
D When compounds are different, please change and set the event number.
D Ch1 is used for the quantitative calculation.
$“2 Data Acquisition” in Operators Guide for LCMS/MS system.

Check the loop time

Click on to show the loop time.

The maximum loop time

is set to approximately
1/20 of the peak width by
adjusting the Dwell Time.

40 Getting Started Guide

 5.5 Set the Parameters for Single Run

3 Set the LC instrument parameters.

3
[LC Stop Time] : 3.0

1 6
2

5
[End Time] : 2.5
4 [Temperature] : 40
[Mode] : Binary gradient

Chapter 5
[Total Flow] : 0.4
[Pump B Conc.] : 8

4 Set the Gradient conditions.

Change the mobile phase mixture ratio.

2
Set the [Time],
[Flow], [A.Conc],
[B.Conc] and
[B.Curve] as shown.

Getting Started Guide 41

 5.6 Execute Single Run to Determine Retention Time

1 Place the samples in the autosampler.

Vial 2, analytes A, B, C 0.05 ng/μL mixture
Vial Sample Rack

2 Open the [Single Run] sub-window.

3 Set the conditions for a single run.

[Data File] : Sample1.lcd

1

2
[Vial#] :2
[Injection Volume] : 1
[Tray] :1
3
3 Click [OK] to start the acquisition.

42 Getting Started Guide

 5.6 Execute Single Run to Determine Retention Time

Data acquisition ends automatically when the

[Acquisition Time] set in the method file has elapsed.

Change the Displayed Chromatograph

To change the chromatogram to display in the [Data Acquisition] window, right-click on the chromatogram and select
[Display Settings].
1

Chapter 5
3

Select in the Auto Scale

Set the interface temperature and the gas flow

The interface temperature and the gas flow are set according to the following procedure.

1
2
3

Getting Started Guide 43

Chapter 6. Confirm Single Run Results (LCMS)
6.1 Open the Results of Single Run in the [MS Data Analysis] Window
Display the results of single run in the [MS Data Analysis] window, and set the parameters for
quantitative data acquisition.

1 Click [Data Analysis] in the [Acquisition] assistant bar.

The [Postrun Analysis] program starts.

2 Click [MS Data Analysis] in the [Main] assistant bar.

The [MS Data Analysis] window opens.

The most recently acquired data

is loaded and displayed in the
[Chromatogram View].

44 Getting Started Guide

 6.1 Open the Results of Single Run in the [MS Data Analysis] Window

About viewing operations

An area on a graph can be

zoomed and displayed by
dragging over it with the mouse.
The [Initialize Zoom], [Redo
Zoom] and [Undo Zoom] menus
can be selected by right-clicking
on the graph.

Drag the frame border to The display factor of

change the relative size of each the intensity axis can
view. be incremented or
decremented.

Chapter 6

Getting Started Guide 45

 6.2 Compound Table Setup
For quantitative processing, use a “standard sample” with a known concentration to create a
“calibration curve”.
Use this calibration curve to calculate the concentration of the components in the unknown data
source.
In this example, we create a calibration curve by injecting 1 μL of 0.01, 0.05, 0.1 and 0.5 ng/μL
standard sample containing analytes A, B and C.

1 Set the peak integration parameters from [MS Data Analysis].

2 1

4
[Slope] : 100

D Enter one thousandth of the anticipated

peak amplitude. If no peak is detected,
halve the Slope setting and try again.

D The and switch between the

[Edit Mode] and the [View Mode]. Parameters
cannot be altered in the [View Mode]. Switching from
[Edit Mode] to [View Mode] applies the changes and
executes the related operations.

46 Getting Started Guide

 6.2 Compound Table Setup

2 Enter the quantitative parameters.

2 1
[Quantitative Method] :
External Standard

3 [# of Calib. Levels] : 4

Chapter 6
3 Enter the retention time of the sample in the Compound Table.

3
Click the peak in
[Chromatogram View].

2
Click

4
The time is automatically entered.

Getting Started Guide 47

 4 Enter the concentration of the standard sample in the Compound
Table.

1
[Type] : Target
[Conc. (1)] : 0.01
[Conc. (2)] : 0.05
[Conc. (3)] : 0.1
[Conc. (4)] : 0.5

5 Click the
integration.
to exit [Edit Mode]and execute quantitative peak

2
1

48 Getting Started Guide

 6.2 Compound Table Setup

6 Confirm the results of quantitative peak integration, and save the

method file.

2
Look at the identified peak mark (▼) on
the chromatogram peak to confirm that the
standard sample is identified correctly.

D The ↑ and ↓ marks indicate the peak

detection start and end points.
If integration fails, adjust the Slope
3 Click to save. peak integration parameter.
This will overwrite 1
the quantitation
parameters in the
current method.

Chapter 6
D If a peak is detected but not
identified, check the retention
4 Confirm that “Method1” time in the compound table
and window width in the
is selected. identification parameters.

The method file is overwritten and saved.

Getting Started Guide 49

 D The following message is displayed when [Method1]
in the [Data Acquisition] window is being edited.

Click [Yes] to continue processing.

Simple Peak Integration Parameters

First set smaller values for the width and slope. Then double the values to confirm the peak detection status.
Setting a large width value prevents detection of peaks in background noise. Also, setting a large slope value prevents
detection of peaks in slow baseline undulations.
Repeat the above setting adjustments until no unwanted peaks are detected, then use those settings as the peak
integration parameters.

Width Setting Example

With the [Width] set to 30, the data is processed as With the [Width] set to 10, the data is processed as
one peak. two peaks.

Slope Setting Example

When the [Slope] is set to 1000, even small noise When the [Slope] is set to 100000, only those peaks
peaks are detected. larger than the slope setting are detected.

50 Getting Started Guide

 6.3 Print Results

6.3 Print Results

„ Print the Information Displayed in the Window

1Click

Chapter 6

Getting Started Guide 51

 Graphic Image Printout Example

52 Getting Started Guide

 6.3 Print Results

„ Layout the report format

The print layout of data reports can be edited.
This procedure loads and prints the report of the Report.lsr file.

1 Select [Data Report] to open the [Report] window.

2
Click

Chapter 6
4

3
Drag and drop the
file to the layout view
frame at the right.

Getting Started Guide 53

 Report Format Printout Example

54 Getting Started Guide

 7.1 Create a Batch Table

Chapter 7. Realtime Batch

7.1 Create a Batch Table
Select a batch table using the method file created for realtime sequential batch analysis.
Here we perform quantitative calculation for a sample containing A, B and C at 0.075 ng/µL each.

1 Change the measurement time for each event on the [Data

Acquisition] window.

The measurement time for each

2
event is determined based on
the [Ret. Time] of the Compound
Table.
1

The measurement time for each event is determined

based on the [Ret. Time] of the Compound Table.
The start time of measurement = [Ret. Time]
- [process time in the identification parameters]

Chapter 7
The end time of measurement = [Ret. Time]
+ [process time in the identification parameters]

2 Click [Realtime Batch] in the [Main] assistant bar.

The [Batch Table] window is displayed.

Create the Batch Table using the following procedure.
Use the first four rows for the standard sample and the
fifth row for the unknown sample.

Getting Started Guide 55

 3 Select [Table Easy Settings] in the [Edit] menu.

4 Make the following settings on the [Table Easy Settings] sub-

window.

1 2
[Vial#] : 1-4

5
4
[Vial#] : 5-5 6
A five-row Batch Table is created.

5 Specify the fifth row (unknown sample) for report output.

1
Place a checkmark in the box, and enter the file
name “Report1.lsr”.

D If a path is not specified for the file name,

the report will be stored in the folder that is
open in the [Data Explorer].

56 Getting Started Guide

 7.1 Create a Batch Table

6 Save the Batch Table settings.

1 Click

2 3
[File Name] : Batch1

Batch Table Settings

Sample Type
Click in a cell to open the [Sample Type] sub-
window. Select the type of sample in this sub-window.
Select [Standard] for grouping types of samples, or
[Unknown] to use a sample for quantitation. Enable
[Initialize Calibration Curve] for the first standard
sample in a grouping type.

Analysis Type

Chapter 7
Select the type of analysis for MS data. Set whether or
not to perform analysis processing on MS data. Click
in a cell to open the [Analysis Type] sub-window.
In this sub-window, click the items to be executed.
Peak integration and quantitative calculation are
automatically performed on the LC data.

Level Number
Enter a level number for all of the standard samples.

Report Output
Check this box to automatically print an analysis
report.

Report Format Files

Click in a cell to open the [Select Report
Format File] sub-window.
Analysis reports are printed in the specified
format.

$ Help for details

Getting Started Guide 57

 Table Entries

Popup Windows (for complex settings)

After selecting a cell, click the button at the right end
of the cell to open the popup window to make settings Click here
for that cell.

Drop-Down List (to select from a list of choices)

After selecting a cell, click the down arrow at the right Click here
end of the cell to display a list of choices. Select a
choice from the list.

Check Box (to select on/off)

Click the displayed check box to select or clear a
checkmark. Click here

[Alt] + click (to open a file)

In file-related windows, this function opens the
specified file.
The data or method file for the selected row in a [Alt] + click
Batch Table can also be opened from the [Edit] menu.

Fill Series and Fill Down

Use the right-click menu on the Batch Table to select [Fill Series] to enter a numbered series or [Fill Down] to copy a
particular cell entry to the rest of the cells in the column.

To enter a numbered series

Enter “Std01.lcd” in the top row of the [Data File] column, then right click and select [Fill Series] to fill each cell in the
column with “Std01.lcd” to “Std04.lcd”.

To copy a cell

Enter “Method1.lcm” in the top row of the [Method File] column, then right click and select [Fill Down] to copy “Method1.
lcm” into all cells in the [Method File] column.

D To add rows, select [Add Row] from the right-click menu of the batch table.

58 Getting Started Guide

 7.1 Create a Batch Table

LabSolutions

S UPPLEMENT Create a Batch Table Using

Quick Batch
You can also create a Batch Table using quick batch.

Enter the sample Select a sample

information. type and vials.

2 3

4
Click here to add them to a Batch Table. With
the settings shown in this figure, a Batch
Table for the standard sample is created.

Chapter 7
Also, for the unknown sample, perform the
procedures (2) and (3) shown in this figure to
add them to the Batch Table.

Start realtime batch.

$ Refer to Help for details on operations and the applicable models.

When [(Auto Filename)] is displayed in the [Data File Name] field, you cannot directly enter
D a data file name. To enter a data file name directly, click [Settings] in the [Quick Batch] sub-
window. On the [Data File Name] tab page in
the displayed [Settings] sub-window, clear the
[Create filenames automatically with] checkbox.

Getting Started Guide 59

 7.2 Realtime Batch Processing
Execute batch processing.

1 Place the samples in the autosampler.

Vial 1, sample solution containing A, B, C at 0.01 ng/µL
Vial Sample Rack
each (standard sample)
Vial 2, sample solution containing A, B, C at 0.05 ng/µL
each (standard sample)
Vial 3, sample solution containing A, B, C at 0.1 ng/µL
each (standard sample)
Vial 4, sample solution containing A, B, C at 0.5 ng/µL
each (standard sample)
Vial 5, unknown (to be quantitated) sample
In this example, a sample solution containing A, B, C at
0.075 ng/µL each is taken as the unknown sample.

2 Start realtime batch processing.

During realtime batch processing, the [Realtime Batch] and [Data Acquisition] windows are
displayed side by side.
A report is output after analysis of the unknown sample is complete.

D Click to stop batch processing.

D By pausing the Batch Table, modifications can be

made while measurements for the current analysis
continue.

D You can take a snapshot to view the data during

acquisition. To take a snapshot, click in the
[Data Acquisition] assistant bar during acquisition.

60 Getting Started Guide

 7.2 Realtime Batch Processing

Realtime Batch Report Printout Example

Chapter 7

Getting Started Guide 61

 This example report for unknown sample (vial 5) shows the quantitated values for A, B and C. Also
shown are the method calibration curves for A, B and C.

The method calibration information resulted from method integration of peaks A, B and C in standard
vials 1-4.

62 Getting Started Guide

 7.3 Print Batch Processing Reports

7.3 Print Batch Processing Reports

Prints a batch processing summary report (a simple
combined report of two or more sets of analysis results).

1 Open the [Report] window.

1
2

2 Create a summary report format with the [MS Summary

(Compound)] report item.
$ “6.4 Create a Report Format File” in Operators Guide for
LCMS/MS system.

Click and drag to define an

2
area on the page where 1
3 Click
Click you want the summary to
be printed.

Chapter 7
The following three types of Summary Reports are
available:
• [Concentration]:Displays concentration, area and
height for each peak.
• [Compound]:Displays peak information such as
concentration and column performance for each
peak.
• [Data]:Displays a chromatogram and peak table for
each data set.

4
[File name] : Summary1

Getting Started Guide 63

 3 Set up the summary report.
1 Enter [Summary Start] in the first data line to be included in the summary report.
Enter [Summary Run] in all of the subsequent data lines to be included in the
summary report.
Enter [Summary End] in the last data line to be included in the summary report.

2Enter a file name in the Summary

Report Format File column.

D If [Summary Type] and [Summary Report Format

File] are not displayed in the Batch Table, use the
right-click menu to select [Table Style] and enable
display of these items.

4 Start realtime batch processing.

The specified summary report is printed when the batch processing is complete.

64 Getting Started Guide

 7.3 Print Batch Processing Reports

Summary Report Printout Example

Chapter 7

Getting Started Guide 65

Chapter 8. Quantitative Data Analysis
8.1 Confirm Quantitative Results in the [Quant Browser] Window
Use the [Quant Browser] window to easily apply quantitative calculation to multiple data sets.

1 Start the [Browser] program.

2
Double click
1

2 Load the sample data.

3
Drag and drop Tutorial_Batch to the
[Quantitative Results View].

Click
2

Sample data (Tutorial_Std01.lcd to Tutorial_Std03.lcd and Tutorial_Unk01.lcd to Tutorial_Unk05.

lcd) registered in the batch file are opened.
You can select multiple data files in the [Data Explorer] sub-window and drag-and-drop them
simultaneously.

66 Getting Started Guide

 8.1 Confirm Quantitative Results in the [Quant Browser] Window

3 Confirm quantitative results.

2 1
The quantitative results and calibration curve of the Click the compound to
compound on the row selected at 1 are displayed. be confirmed on the
[Compound] tab.
D Select [Delete] from the right-click menu of the
[Quantitative Results View] to delete a data file.

3 4Confirm the calibration curve.

Confirm the chromatogram.

The chromatogram of the selected data in The calibration curve of the selected
the [Quantitative Results View] is displayed. compound in the [Method View] is displayed.

Chapter 8

Getting Started Guide 67

 8.2 Edit Integration Parameters and Re-Integrate
The sample data on the previous page is quantitative data for a three-point absolute calibration curve.
However, if the area value for the first line of data (Tutorial_Std01.lcd) in the [Quantitative Results View]
is found to be “----”, or if confirming the [Chromatogram View] reveals that peak integration was not
performed, edit the peak integration parameters to obtain a suitable calibration curve.

1 Edit the quantitative parameters.

$ “10.3 Postrun Analysis of Multiple Data” in Operators Guide for LCMS/MS system.

1
2

3
[Slope] : 100

68 Getting Started Guide

 8.2 Edit Integration Parameters and Re-Integrate

2 Re-integrate

Chapter 8
Original Results

D When the standard sample

data is integrated, the
calibration curve is recreated
and quantitative calculation is
performed on all data.
D Integration can be initiated
Edited Results manually in the [Chromatogram
View]. Select [Manual
Integration Bar] from the right-
click menu.
$ “5.5.6 Manual Quantitative
Peak Integration” in Operators
Guide for LCMS/MS system.

Getting Started Guide 69

 The peak is detected.
The 3-point calibration curve is displayed, and the correct quantitative value is determined.

„ Invalidate a Calibration Point

If a standard sample cannot be analyzed properly, the
calibration point can be invalidated.
Remove the [Cal. Point] checkmark from the
[Quantitative Results View] to invalidate the calibration
point. The results are immediately recalculated.
You can enable/disable the calibration point for each
compound registered in the [Compound Table].

„ Modify the Level Number

The level number assigned to a sample during analysis 1 Select the cell of the
can be changed in the [Quantitative Results View].
[Level#] to be changed,
and enter a new number.
When changes are applied and a different cell
is selected, quantitative results are immediately
recalculated.

D The [Level#] can be edited regardless of the [Sample

Type].

„ Change the Sample Type

The [Sample Type] assigned to a sample during analysis 1 Select the [Sample Type] of
can be changed in the [Quantitative Results View].
the sample to be changed,
When changes are applied, quantitative results are and select the appropriate
type from the drop-down list.
immediately recalculated.

D Changes to the [Sample Type] are reflected in the

files when saved.

70 Getting Started Guide

 8.2 Edit Integration Parameters and Re-Integrate

„ Verify a Spectrum
Double-click the MS chromatogram in the
[Chromatogram View] to display the MS spectrum at the
clicked position in the [Calibration Curve/Spectrum View].

Files Handled in the [Quant Browser] Window

The [Quant Browser] window is an application for editing When the loaded Method file has calibration information,
a single method file, and performing postrun analysis the data files of the standard sample used to create its
on multiple loaded data sets using the data processing calibration curve are also loaded.
parameters of that method.
Files are loaded according to the following rules. Data Files
Load from the [Data] tab of the [Data Explorer] sub-
Method File window. (Multiple data sets can be loaded.) Select the
Load from the [Method] tab of the [Data Explorer] toolbar buttons to determine which sample type is to be
sub-window. If no method file is specified, the method displayed.

Chapter 8
file used for processing the first loaded data file is
automatically loaded.

Getting Started Guide 71

 8.3 Print a Summary Report from the [Quant Browser] Window
The [Quant Browser] window has a Summary Report function for creating a combined report from
multiple loaded data sets.

Information associated with each compound is printed in the report.

72 Getting Started Guide

 9.1 Display Data Files in the [Data Browser] Window

Chapter 9. Qualitative Data Analysis

9.1 Display Data Files in the [Data Browser] Window
The [Data Browser] window can be used to display chromatograms, spectra and multiple data file
information from different detectors.

$ “11.4 Compare Data” in Operators Guide for LCMS/MS

system.

1 Start the [Browser] program.

2
Double click

2 Open the [Data Browser] window.

1
Chapter 9

Getting Started Guide 73

 3 Select a data file.

1
Drag and drop Tutorial_Unk01.lcd to a
cell in the [Data Browser] window.

D Each display area in the [Data

Browser] is called a “cell”.

2
Place checkmarks next to
[MS Chromatogram] and [MS Spectrum].

Cells for the number of selected

checkboxes are displayed in the [Data
3 Browser] window.

The MS chromatogram and MS spectrum are displayed.

Double click a point on the MS chromatogram to display the MS spectrum at that point.

MS Chromatogram

MS Spectrum

74 Getting Started Guide

 9.2 Change the Display Layout Settings

9.2 Change the Display Layout Settings

1 Add a column
The number of cells can be increased by adding rows or columns to the [Data Browser] window.
The procedure to add a column is described here.

1 Click

A new column is added, and two

empty cells appear one above the
other.

Chapter 9

Getting Started Guide 75

 2 Copy and paste cell contents
You can copy information from one cell to another.

2
Right-click on the copy source Right-click on the
1 cell and click [Copy Cell]. copy destination cell
and click [Paste Cell].
D Use this on any cell you
want to copy. The copy of the
MS chromatogram
of the source cell
now appears in the
destination cell.

76 Getting Started Guide

 9.3 Compare Different Types of Chromatograms

9.3 Compare Different Types of Chromatograms

1 Compare the data for different chromatograms.

The chromatograms of different data files can be displayed in an [MS Chromatogram] cell.

1 Drag-and-drop Tutorial_Std02.lcd and Tutorial_

Std03.lcd from the [Data Explorer] sub-window
to the empty cell at the lower right.

D Multiple files can be selected by holding

the Ctrl or Shift key during selection.

2
Select [Load Data to Current
Cell] and [Add Data to MS
Chromatogram Cell].

3
Select [MS Chromatogram]. Chapter 9

The names of
the open files
are displayed.

Getting Started Guide 77

 Change the MS Chromatogram

To change the m/z of the MS chromatogram to be displayed in the [MS Chromatogram] cell, use the [MS
Chromatogram Settings] sub-window.

When [None] is selected, only MC is

displayed.

Enter the m/z to be displayed and select the

[Disp.] checkbox.

D In the case of SIM or MRM analysis data,

select m/z from the pull-down list opened
by clicking the [m/z] column.

78 Getting Started Guide

 9.4 Use the Cell Fixed Function

9.4 Use the Cell Fixed Function

1 Assign cell numbers.

Using the Cell Fixed Function, the same data may be opened in different cells that have been
assigned the same cell number.

1
Click

The entire [Data Browser] window enters the [Cell Fix] mode
with [Cell Number] displayed at the top right of each cell.

3 Click [Cell Number]

with the [Shift] key
held down, select cell
number 4 and click
[OK].

The cell numbers of

2 two cells are both
Hold the Shift key while clicking changed to 4.
the upper right and lower right
cells.

A blue margin appears in both

cells.

Chapter 9

Getting Started Guide 79

 2 Display an MS chromatogram and MS spectrum.
1
Click
(MS Chromatogram)

2 Hold the Shift key while

clicking the lower two
cells.

D When both cells

are active, they
can be selected
at the same time
using the toolbar
buttons.

At the left side, the cell numbers of the two cells are both 1, and the same data file (Tutorial_Unk01.
lcd) is displayed in both. At the right side, the numbers of the two cells are both 4, and the same
data file (Tutorial_Std01.lcd) is displayed in both.
When the Cell Fixed mode is enabled, the same data file is displayed in all cells having the same
cell number.

3 Confirm while comparing data.

In this state, data files can be switched for easy data comparison.

1 Drag and drop

Tutorial_Unk02.lcd to one of
the cells at the left side.

Both of the cells at the left

change at the same time.
When dropping to the
[MS Chromatogram] cell,
a confirmation message
appears before the data
is added or changed.
Select [No] and the data is
changed.

80 Getting Started Guide

 9.5 Qualitative Processing in the [Data Browser] Window

9.5 Qualitative Processing in the [Data Browser] Window

1 Load the data file.

1 2
Drag-and-drop LCMS_ MS chromatogram Turn pin ( ) on.
Catechins.lcd onto the cell in
the [Data Browser] window.

MS spectrum

D Clicking the pin switches toggles it on and off.

Cells are interlocked when the pin is on. Browser
functions applied to one pinned cell are executed in
all of the pinned cells.

Chapter 9

Getting Started Guide 81

 2 Display the MS spectrum.

1
Double-click on the chromatogram.

The spectrum of that time is

displayed in the [MS Chromatogram]
cell.

3 Average the MS spectrum.

A stable spectrum can be displayed by totaling and averaging the spectra within a certain time
range.

1
Click

2
Drag the range to average
on the chromatogram.

82 Getting Started Guide

 9.5 Qualitative Processing in the [Data Browser] Window

4 Perform subtraction on the MS spectra.

A cleaner-looking spectrum can be displayed by subtracting the background MS spectrum from the
averaged spectrum.

1
Click

2
Drag the range to subtract
on the chromatogram.

This displays the fact that the

averaged spectrum of retention time
0.352 to 0.504 min was subtracted
from the averaged spectrum of
retention time 0.492 to 0.644 min.

D After the subtract button is selected, double-clicking

on the chromatogram subtracts the spectrum at that
clicked position.

Chapter 9

Getting Started Guide 83

 5 Display the MS chromatogram.
Double-click the MS spectrum peak. The chromatogram of the m/z at the position double-clicked
in the [MS Chromatogram] cell is added to the display.

1
Double-click

Register an Averaged/Calculated Spectrum in the Spectrum Process

Table

When a spectrum has been subjected to averaging/calculation, the results can be registered in the
Spectrum Process Table for easy recall of the calculated spectrum at a later time.
The spectrum can also be printed in the [Report] window.

Right-click on the spectrum graph,

and click [Register to Spectrum
Process Table].

D The averaged and/or

subtracted MS spectrum is
registered.

84 Getting Started Guide

 9.6 Print from the [Data Browser] Window

9.6 Print from the [Data Browser] Window

1 Print an image of the display.

The cells displayed in the [Data Browser] window can be printed in their current displayed format.

D Select [Print Data Report for Selected Cell ] from the

[File] menu to print using the report format saved in
the data file.

Chapter 9

Getting Started Guide 85

 [Data Browser] Window Printout Example

86 Getting Started Guide

Chapter 10. Shutdown (LC)
Last of all, this chapter describes how to exit LabSolutions.

1 Stop instrument operation.

Stop pump solvent delivery and heating of the column
oven.

2 Set to OFF.

3 Select [Exit] when the oven has cooled down.

Chapter 10

Getting Started Guide 87

 4 Click [Yes].

D When there is a file that has not yet been

saved, a window to confirm whether or not
to save the file when exiting the [Realtime
Analysis] program opens.

5 Exit LabSolutions.
If the [Postrun Analysis] program or [Browser] program
is open, click [Exit] on the [File] menu of each program
to exit the respective program.

6 Shutdown Windows, and turn the PC and printer off.

7 Turn each instrument off.

88 Getting Started Guide

Chapter 11. Shutdown (LCMS)

1 Close any open windows.

1

D This sub-window appears if

there are any unsaved files.
3

2 Stop the LC pumps, gas flows and heaters from the [Shutdown]
sub-window.

1
Chapter 11

Getting Started Guide 89

 3 Exit LabSolutions.
1

4 Turn off the power to the LC modules.

DGU-
405 CL CBM-40
CL

LC-40D
XR CL SPD-40
CL

LC-40D
XR CL LCMS-
8060NX
CTO-
CL
40C CL
SIL-40C
XR CL

D During routine operation, the LCMS-8060NX is not

turned off.

5 Stop supplying nitrogen gas and plug DL with DL plug.

90 Getting Started Guide