Application Note #7

CLP Macro Enhancements for Agilent EnviroQuant

General Description

Diablo Analytical has developed a solution for environmental labs or other organizations that are performing CLP (Contract Lab Program) determinations of semivolatile components. Often the client wants a Target Compound List (TLC) report which lists the top thirty most concentrated Tentatively Identified Components (TIC), excluding certain hydrocarbon classes.

These reports are not easily automated on the current EnviroQuant system and significant labor is required to produce these reports. This custom solution produces the following summary report for each sample:

List of the top thirty non-hydrocarbon TICs, sorted in retention time order
Summary of any remaining non-hydrocarbon TICs
A separate list of the hydrocarbon, including quantitative class totals and total hydrocarbons.

n-alkanes
branched alkanes
cyclic alkanes

The existing detailed and summary report results are sorted in the order listed above for ease of reviewing and confirmation of results. An example summary report is attached to this ordering guide

System Requirements

This custom solution works with existing Agilent GC-MSD systems on the ChemStation Software (version C.03.00), with EnviroQuant (version C.00.02). Both the NIST and Wiley libraries have been tested with the system.

Example Summary Report

               Tentatively Identified Compound (LSC) summary

  TIC Top Hit name      RT  EstConc Units  Area  IntStd   ISRT  ISArea ISConc
=============================================================================

Top  29 Tentatively  Identified Compounds
-----------------------------------------
Oxirane, [(1-methyle   4.00   239.7 NG    7732071 ISTD01   5.45 1290186  40.0
Ethane, 1,1,2,2-tetr   4.71     6.3 NG     203798 ISTD01   5.45 1290186  40.0
Triethylene glycol     6.99     8.5 NG     380197 ISTD02   6.84 1799472  40.0
Triethylene glycol     7.05    46.9 NG    2110555 ISTD02   6.84 1799472  40.0
Benzeneacetic acid     7.15     5.8 NG     260967 ISTD02   6.84 1799472  40.0
Tetradecanoic acid    11.84    13.4 NG     624652 ISTD04  12.36 1860514  40.0
Ethanol, 2,2'-[oxybi  12.10    62.1 NG    2888438 ISTD04  12.36 1860514  40.0
Hexanedioic acid, di  12.77    43.9 NG    2043232 ISTD04  12.36 1860514  40.0
Butenoic acid, 3,7-d  12.92    14.0 NG     652312 ISTD04  12.36 1860514  40.0
Oxacyclotetradecane-  13.45    40.9 NG    1903108 ISTD04  12.36 1860514  40.0
Cyclopentadecanone,   14.48     6.8 NG     314049 ISTD04  12.36 1860514  40.0
Phytol                14.81     7.4 NG     343714 ISTD04  12.36 1860514  40.0
Aspidospermidin-17-o  15.04    19.6 NG     910732 ISTD04  12.36 1860514  40.0
Octadecanoic acid     15.22    11.5 NG     530492 ISTD05  17.73 1852957  40.0
Hexanedioic acid, bi  16.89   619.2 NG   28682108 ISTD05  17.73 1852957  40.0
Phosphonic acid, dio  17.58     6.2 NG     286348 ISTD05  17.73 1852957  40.0
3-Eicosene, (E)-      18.89    16.0 NG     741878 ISTD05  17.73 1852957  40.0
2,6,10-Dodecatrien-1  19.61    16.7 NG     366200 ISTD06  20.44  875709  40.0
1-Hexacosanal         19.75    33.6 NG     735938 ISTD06  20.44  875709  40.0
1-Docosene            20.11    94.4 NG    2066190 ISTD06  20.44  875709  40.0
Pentadecanal-         20.94    19.8 NG     434377 ISTD06  20.44  875709  40.0
Dodecane, 1-(methyls  21.47    12.7 NG     277744 ISTD06  20.44  875709  40.0
9,19-Cyclocholest-24  22.02    11.0 NG     241731 ISTD06  20.44  875709  40.0
Oxirane, hexadecyl-   22.36    14.3 NG     312047 ISTD06  20.44  875709  40.0
5-Octadecene, (E)-    22.48    33.0 NG     722440 ISTD06  20.44  875709  40.0
Glaucic acid          22.97    13.5 NG     294706 ISTD06  20.44  875709  40.0
Cholestan-3-ol, 2-me  23.28    49.7 NG    1087567 ISTD06  20.44  875709  40.0
2-Pentanone, 5-(2-me  23.99    12.7 NG     277443 ISTD06  20.44  875709  40.0
(E,E,E)-3,7,11,15-Te  24.13    10.8 NG     236803 ISTD06  20.44  875709  40.0

Hydrocarbons: n-Alkanes
-----------------------
Eicosane              21.28    27.5 NG     602785 ISTD06  20.44  875709  40.0
Eicosane              22.76    20.3 NG     443405 ISTD06  20.44  875709  40.0
Heneicosane           17.61     5.8 NG     270243 ISTD05  17.73 1852957  40.0
Eicosane              11.33     5.5 NG     256801 ISTD04  12.36 1860514  40.0
                             ----------
Subtotal:                      59.1 NG  

Hydrocarbons: Branched Alkanes
------------------------------
Heptane, 2,4-dimethy   3.77   103.3 NG    3330588 ISTD01   5.45 1290186  40.0
Heptane, 2,6-dimethy   3.85    43.9 NG    1415617 ISTD01   5.45 1290186  40.0
                             ----------
Subtotal:                     147.1 NG  

Hydrocarbons: Cyclic Alkanes
----------------------------
Cyclohexadecane       21.72    59.7 NG    1307838 ISTD06  20.44  875709  40.0
Cyclopentadecane      21.07    14.0 NG     306543 ISTD06  20.44  875709  40.0
Cyclododecane         21.65    11.3 NG     247499 ISTD06  20.44  875709  40.0
                             ----------
Subtotal:                      85.0 NG  

                             ----------
Total Alkane Conc:            291.3 NG

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