                     INSTRUMENT CONTROL PARAMETERS:    UCLA GCMS
                     -------------------------------------------

   D:\MassHunter\GCMS\1\methods\SIM ALL METABS + AA and Urea Cycle 2020 update.M
      Mon Dec 21 00:45:42 2020

Control Information
------- -----------

Sample Inlet             : GC
Injection Source         : GC ALS
Injection Location:  Front
Mass Spectrometer        : Enabled


 No Sample Prep method has been assigned to this method.


GC
GC Summary
Run Time                                     53.619 min
Post Run Time                                0 min

Oven
Equilibration Time                           0.25 min
Max Temperature                              325 °C
Maximum Temperature Override                 Disabled
Slow Fan                                     Disabled
Temperature
Setpoint                                     On
(Initial)                                    100 °C
Hold Time                                    2 min
Post Run                                     70 °C
Program
#1 Rate                                      3.5 °C/min
#1 Value                                     255 °C
#1 Hold Time                                 0 min
#2 Rate                                      15 °C/min
#2 Value                                     320 °C
#2 Hold Time                                 3 min



ALS
ALS Errors                                   Pause for user interaction
Front Injector
Syringe Size                                 10 μL
Injection Volume                             1 μL
Solvent A Washes (PreInj)                    1
Solvent A Washes (PostInj)                   3
Solvent A Volume                             4 μL
Solvent B Washes (PreInj)                    1
Solvent B Washes (PostInj)                   3
Solvent B Volume                             4 μL
Sample Washes                                1
Sample Wash Volume                           1 μL
Sample Pumps                                 6
Dwell Time (PreInj)                          0 min
Dwell Time (PostInj)                         0 min
Solvent Wash Draw Speed                      300 μL/min
Solvent Wash Dispense Speed                  3000 μL/min
Sample Wash Draw Speed                       300 μL/min
Sample Wash Dispense Speed                   3000 μL/min
Injection Dispense Speed                     6000 μL/min
Viscosity Delay                              0 sec
Sample Depth                                 Disabled
Injection Type                               Standard
L1 Airgap                                    1 μL
Solvent Wash Mode                            A, B

Back Injector
Syringe Size                                 100 μL
Injection Volume                             10 μL
Solvent A Washes (PreInj)                    0
Solvent A Washes (PostInj)                   0
Solvent A Volume                             80 μL
Solvent B Washes (PreInj)                    0
Solvent B Washes (PostInj)                   0
Solvent B Volume                             80 μL
Sample Washes                                0
Sample Wash Volume                           80 μL
Sample Pumps                                 6
Dwell Time (PreInj)                          0 min
Dwell Time (PostInj)                         0 min
Solvent Wash Draw Speed                      3000 μL/min
Solvent Wash Dispense Speed                  30000 μL/min
Sample Wash Draw Speed                       3000 μL/min
Sample Wash Dispense Speed                   30000 μL/min
Injection Dispense Speed                     60000 μL/min
Viscosity Delay                              0 sec
Sample Depth                                 Disabled
Injection Type                               Standard
L1 Airgap                                    2 μL
Solvent Wash Mode                            A, B

Tray
Barcode Symbology                            Enable all symbologies
Barcode Checksum                             Off
Vial Heater                                  Disabled
Vial Mixer                                   Disabled

Sample Overlap
Mode                                         Sample overlap is not enabled


Front SS Inlet He
Mode                                         Split
Heater                                       On    270 °C
Pressure                                     On    10.523 psi
Total Flow                                   On    12 mL/min
Septum Purge Flow                            On    3 mL/min
Gas Saver                                    Off
Split Ratio                                  8 :1
Split Flow                                   8 mL/min
Liner                                        Agilent 5190-2293: 900 μL (Splitless, single taper, wool, Ultra )

Thermal Aux 3 (MSD Transfer Line)
Temperature
Setpoint                                     On
(Initial)                                    280 °C
Post Run                                     0 °C


Column
Column Outlet Pressure                       0 psi
Column #1
Column Information                           Agilent 122-3832
DB-35ms                                      
Temperature Range                            50 °C—340 °C (360 °C)
Dimensions                                   30 m x 250 μm x 0.25 μm
Column lock                                  Unlocked
In                                           Front SS Inlet He
Out                                          MSD 
(Initial)                                    100 °C
Pressure                                     10.523 psi
Flow                                         1 mL/min
Average Velocity                             37.293 cm/sec
Holdup Time                                  1.3407 min
Flow
Setpoint                                     Off
(Initial)                                    1 mL/min
Post Run                                     1 mL/min



Signals
Signal #1:  Test Plot
Description                                  Test Plot
Details                                      
Save                                         Off
Data Rate                                    50 Hz

Signal #2:  Test Plot
Description                                  Test Plot
Details                                      
Save                                         Off
Data Rate                                    50 Hz

Signal #3:  Test Plot
Description                                  Test Plot
Details                                      
Save                                         Off
Data Rate                                    50 Hz

Signal #4:  Test Plot
Description                                  Test Plot
Details                                      
Save                                         Off
Data Rate                                    50 Hz




MS Information
-- -----------


General Information
------- -----------


Acquisition Mode         : SIM
Solvent Delay (minutes)  : 7
Tune file                : D:\MassHunter\GCMS\1\5977\etune.u
EM Setting mode Gain     : 25.000000

Number of SIM Groups     : 29
Run Time (if MS only)    : 650 minutes 

[SIM Parameters]
Group 1               Group ID                  : PYRUVATE
Resolution                : 0
Group Start Time          : 7
Number of Ions            : 5
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  174.00,55  )  (  175.00,55  )  (  176.00,55  ) 
                           (  177.00,55  )  (  178.00,55  ) 
Group 2               Group ID                  : KIV
Resolution                : 0
Group Start Time          : 9.4
Number of Ions            : 7
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  202.00,35  )  (  203.00,35  )  (  204.00,35  ) 
                           (  205.00,35  )  (  206.00,35  )  (  207.00,35  ) 
                           (  208.00,35  ) 
Group 3               Group ID                  : KMV
Resolution                : 0
Group Start Time          : 11.2
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  216.00,30  )  (  217.00,30  )  (  218.00,30  ) 
                           (  219.00,30  )  (  220.00,30  )  (  221.00,30  ) 
                           (  222.00,30  )  (  223.00,30  ) 
Group 4               Group ID                  : KIC
Resolution                : 0
Group Start Time          : 11.6
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  216.00,30  )  (  217.00,30  )  (  218.00,30  ) 
                           (  219.00,30  )  (  220.00,30  )  (  221.00,30  ) 
                           (  222.00,30  )  (  223.00,30  ) 
Group 5               Group ID                  : LACTATE
Resolution                : 0
Group Start Time          : 12.2
Number of Ions            : 10
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  233.00,35  )  (  234.00,35  )  (  235.00,35  ) 
                           (  236.00,35  )  (  237.00,35  )  (  261.00,35  ) 
                           (  262.00,35  )  (  263.00,35  )  (  264.00,35  ) 
                           (  265.00,35  ) 
Group 6               Group ID                  : ALANINE
Resolution                : 0
Group Start Time          : 13
Number of Ions            : 10
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  232.00,35  )  (  233.00,35  )  (  234.00,35  ) 
                           (  235.00,35  )  (  236.00,35  )  (  260.00,35  ) 
                           (  261.00,35  )  (  262.00,35  )  (  263.00,35  ) 
                           (  264.00,35  ) 
Group 7               Group ID                  : B-HYDROXYBUTYRATE
Resolution                : 0
Group Start Time          : 15
Number of Ions            : 6
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  275.00,45  )  (  276.00,45  )  (  277.00,45  ) 
                           (  278.00,45  )  (  279.00,45  )  (  280.00,45  ) 

Group 8               Group ID                  : VALINE
Resolution                : 0
Group Start Time          : 16
Number of Ions            : 7
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  288.00,20  )  (  289.00,20  )  (  290.00,20  ) 
                           (  291.00,20  )  (  292.00,20  )  (  293.00,20  ) 
                           (  294.00,20  ) 
Group 9               Group ID                  : NORVALINE
Resolution                : 0
Group Start Time          : 17.3
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  260.00,45  )  (  261.00,45  )  (  262.00,45  ) 
                           (  263.00,45  )  (  288.00,45  )  (  289.00,45  ) 
                           (  290.00,45  )  (  291.00,45  ) 
Group 10               Group ID                  : LEUCINE
Resolution                : 0
Group Start Time          : 18
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  274.00,30  )  (  275.00,30  )  (  276.00,30  ) 
                           (  277.00,30  )  (  278.00,30  )  (  279.00,30  ) 
                           (  280.00,30  )  (  281.00,30  ) 
Group 11               Group ID                  : ISOLEUCINE
Resolution                : 0
Group Start Time          : 19
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  274.00,20  )  (  275.00,20  )  (  276.00,20  ) 
                           (  277.00,20  )  (  278.00,20  )  (  279.00,20  ) 
                           (  280.00,20  )  (  281.00,20  ) 
Group 12               Group ID                  : UREA
Resolution                : 0
Group Start Time          : 19.5
Number of Ions            : 2
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  231.00,50  )  (  232.00,50  ) 
Group 13               Group ID                  : GABA
Resolution                : 0
Group Start Time          : 20.5
Number of Ions            : 6
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  274.00,45  )  (  275.00,45  )  (  276.00,45  ) 
                           (  277.00,45  )  (  278.00,45  )  (  279.00,45  ) 

Group 14               Group ID                  : SUCCINATE
Resolution                : 0
Group Start Time          : 21.9
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  289.00,25  )  (  290.00,25  )  (  291.00,25  ) 
                           (  292.00,25  )  (  293.00,25  )  (  294.00,25  ) 
                           (  295.00,25  )  (  296.00,25  ) 
Group 15               Group ID                  : FUMARATE
Resolution                : 0
Group Start Time          : 22.4
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  287.00,20  )  (  288.00,20  )  (  289.00,20  ) 
                           (  290.00,20  )  (  291.00,20  )  (  292.00,20  ) 
                           (  293.00,20  )  (  294.00,20  ) 
Group 16               Group ID                  : ITACONATE
Resolution                : 0
Group Start Time          : 23
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  301.00,20  )  (  302.00,20  )  (  303.00,20  ) 
                           (  304.00,20  )  (  305.00,20  )  (  306.00,20  ) 
                           (  307.00,20  )  (  308.00,20  ) 
Group 17               Group ID                  : SERINE
Resolution                : 0
Group Start Time          : 25.5
Number of Ions            : 15
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  302.00,20  )  (  303.00,20  )  (  304.00,20  ) 
                           (  305.00,20  )  (  306.00,20  )  (  362.00,20  ) 
                           (  363.00,20  )  (  364.00,20  )  (  365.00,20  ) 
                           (  366.00,20  )  (  390.00,20  )  (  391.00,20  ) 
                           (  392.00,20  )  (  393.00,20  )  (  394.00,20  ) 

Group 18               Group ID                  : THREONINE
Resolution                : 0
Group Start Time          : 26.5
Number of Ions            : 12
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  376.00,20  )  (  377.00,20  )  (  378.00,20  ) 
                           (  379.00,20  )  (  380.00,20  )  (  381.00,20  ) 
                           (  404.00,20  )  (  405.00,20  )  (  406.00,20  ) 
                           (  407.00,20  )  (  408.00,20  )  (  409.00,20  ) 

Group 19               Group ID                  : METHIONINE
Resolution                : 0
Group Start Time          : 27.5
Number of Ions            : 7
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  320.00,45  )  (  321.00,45  )  (  322.00,45  ) 
                           (  323.00,45  )  (  324.00,45  )  (  325.00,45  ) 
                           (  326.00,45  ) 
Group 20               Group ID                  : a-KETOGLUTARATE
Resolution                : 0
Group Start Time          : 29.5
Number of Ions            : 7
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  346.00,35  )  (  347.00,35  )  (  348.00,35  ) 
                           (  349.00,35  )  (  350.00,35  )  (  351.00,35  ) 
                           (  352.00,35  ) 
Group 21               Group ID                  : MALATE
Resolution                : 0
Group Start Time          : 30.3
Number of Ions            : 6
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  419.00,45  )  (  420.00,45  )  (  421.00,45  ) 
                           (  422.00,45  )  (  423.00,45  )  (  424.00,45  ) 

Group 22               Group ID                  : ASPARTATE
Resolution                : 0
Group Start Time          : 31.3
Number of Ions            : 16
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  302.00,19  )  (  303.00,19  )  (  304.00,19  ) 
                           (  305.00,19  )  (  306.00,19  )  (  390.00,19  ) 
                           (  391.00,19  )  (  392.00,19  )  (  393.00,19  ) 
                           (  394.00,19  )  (  418.00,19  )  (  419.00,19  ) 
                           (  420.00,19  )  (  421.00,19  )  (  422.00,19  ) 
                           (  423.00,19  ) 
Group 23               Group ID                  : CYSTEINE
Resolution                : 0
Group Start Time          : 32.8
Number of Ions            : 5
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  406.00,50  )  (  407.00,50  )  (  408.00,50  ) 
                           (  409.00,50  )  (  410.00,50  ) 
Group 24               Group ID                  : N-ACETYLASPARTATE
Resolution                : 0
Group Start Time          : 33.3
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  346.00,25  )  (  347.00,25  )  (  348.00,25  ) 
                           (  349.00,25  )  (  350.00,25  )  (  351.00,25  ) 
                           (  352.00,25  )  (  353.00,25  ) 
Group 25               Group ID                  : ORNITHINE
Resolution                : 0
Group Start Time          : 33.9
Number of Ions            : 7
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  474.00,50  )  (  475.00,50  )  (  476.00,50  ) 
                           (  477.00,50  )  (  478.00,50  )  (  479.00,50  ) 
                           (  480.00,50  ) 
Group 26               Group ID                  : GLUTAMATE
Resolution                : 0
Group Start Time          : 34.5
Number of Ions            : 14
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  330.00,20  )  (  331.00,20  )  (  332.00,20  ) 
                           (  333.00,20  )  (  334.00,20  )  (  335.00,20  ) 
                           (  336.00,20  )  (  432.00,20  )  (  433.00,20  ) 
                           (  434.00,20  )  (  435.00,20  )  (  436.00,20  ) 
                           (  437.00,20  )  (  438.00,20  ) 
Group 27               Group ID                  : ASPARAGINE
Resolution                : 0
Group Start Time          : 35.8
Number of Ions            : 6
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  417.00,50  )  (  418.00,50  )  (  419.00,50  ) 
                           (  420.00,50  )  (  421.00,50  )  (  422.00,50  ) 

Group 28               Group ID                  : CITRATE
Resolution                : 0
Group Start Time          : 41
Number of Ions            : 16
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  459.00,20  )  (  460.00,20  )  (  461.00,20  ) 
                           (  462.00,20  )  (  463.00,20  )  (  464.00,20  ) 
                           (  465.00,20  )  (  466.00,20  )  (  591.00,20  ) 
                           (  592.00,20  )  (  593.00,20  )  (  594.00,20  ) 
                           (  595.00,20  )  (  596.00,20  )  (  597.00,20  ) 
                           (  598.00,20  ) 
Group 29               Group ID                  : HISTIDINE
Resolution                : 0
Group Start Time          : 43
Number of Ions            : 8
Ions
Dwell In Group            :(  Mass,  Dwell) (  Mass,  Dwell)  (  Mass,  Dwell) 
                           (  440.00,50  )  (  441.00,50  )  (  442.00,50  ) 
                           (  443.00,50  )  (  444.00,50  )  (  445.00,50  ) 
                           (  446.00,50  )  (  447.00,50  ) 


[MSZones]

MS Source                   : 230 C   maximum 250 C
MS Quad                     : 150 C   maximum 200 C

Timed Events
----- ------
Number Events= 0



                     END OF MS ACQUISTION PARAMETERS


                        TUNE PARAMETERS for SN: US1805P002
                        ---------------------------------

 Trace Ion Detection is ON.

    34.593   :   EMISSION     
    70.007   :   ENERGY       
     0.503   :   REPELLER     
    89.822   :   IONFOCUS     
    17.627   :   ENTRANCE_LENS
  1544.589   :   EMVOLTS      
                              2043.8  : Actual EMV 
                               5.00   : GAIN FACTOR 
  2054.000   :   AMUGAIN      
   137.625   :   AMUOFFSET    
     1.000   :   FILAMENT     
     0.000   :   DCPOLARITY   
    11.317   :   ENTLENSOFFSET
     8.502   :   Ion_Body     
    -3.001   :   EXTLENS      
  -154.000   :  MASSGAIN        
   -25.000   :  MASSOFFSET      

                        END OF TUNE PARAMETERS
                        ----------------------



                        END OF INSTRUMENT CONTROL PARAMETERS
                        ------------------------------------
