Not really. There is no evidence if that the molecule can be detected, even by MS which depends on the ionization and breakage of the molecule. There is also no evidence that the molecule is not in the solvent front or completely retained by a GC/HPLC column.

Hello James,

Qualitative means that though we can qualify that a peak is in a sample our ability to provide accurate concentration is not possible. It also leads to questions about precise identification. Where there are isomers for example if you do not have the standard and rely on relative retention to separate compounds it is possible for error.

Quantitative GCMS methods typically will have pre- (recovery) and post-(internal ) standard compounds to modify peak areas for instrumental/volume and extraction losses and include a calibration curve that covers the peak area range of the detected compounds.

Without these factors we cannot say precise concentrations however when comparing qualitative data the peak area of one sample to another you can infer some estimates or differences between samples.

Hope this makes sense

Garry

First, I suggest you contact Shimadzu about this. They have experts who can answer all your software questions. I'm not sure I understand what you need, but if you are using LabSolutions software you can select the m/z in the fragment table you want to display and integrate. This can be part of your quantitative method also, in the peak table you specify the m/z or TIC for integration.