we have area and height of compound peak with different time interval, from that data how to calculate the (%) of conversion. and one more thing Is internal standard needed or not?
What did you mean by "conversion"? I think if you have data of TIC (peak Height and peak area) of your compounds by GC MS, you can estimate the % relative content of your compounds by using their peak area or peak height. You can do it with or without IS.
Hi sir, what you told is correct. I have two reactant comps A&B. I want percentage of conversion of comp.A with respect to time. I'm injecting same conc.of reaction mix. every time, I have area and height of comp.A. how to calculate the % conv. of comp.A
Do you want to study the conversion A to B? or A + B to X? In this case. do you want to measure % conversion of A (only)? If it is so, in my opinion, it will be nice, if you add an IS (not reacted to A or B), with same concentration in the mixture. You can calculate and compare the ratio of A to IS (height or Area) with respect of time (maybe at 0, X, 2X ......nX min). At 0 min means no conversion (0%).You use GCMS, so before you calculate the ratio area/peak at certain times, please confirm the MS spectra of all compound(s)
Yes, I'm doing A+B to X. In this case, I have to find the % of conversion of A with respect to time. I made the stock solution with A, B and IS (mesitylene,100 uL). I took 100 uL of this stock solution, before starting the reaction.Then I did the GC-MS, I got the IS % area 65% and Compound A % area 35% at 0 min. From this data, how can I calculate % conversion of A with respect to time. Could you please explain it briefly.
Hi, OK so at 0 min (zero), please calculate area A/Area IS (could be around 35/65=0.54), it means ratio of A/IS at 0 time = 0.54 (but please calculate exact the ratio by using their areas). Maybe at x min, the ratio of A to IS (same concentration) = b; so it means at x min the % relative remaining A is b/0.54 x 100 %. Please replicate the experiments at least 3 times, so you can get Mean +/- SD (RSD). IS should not be reacted wit A and B
I have one more doubt regarding this. At 0 min, whatever the value (0.54) came is considered as zero conversions or any difference is there?. My doubt is exactly after 6 hours suppose area% IS (80%) and Compound A (20%) . Then (20/80 at 6h =0.25.After that Compound A, relative remaining is 0.25/0.54x100= 46.29%. Then % conversion is 100-46.29= 53.71%. While drawing graph % conversion vs time, which value I have to keep at 0 h
Yes, I think at 0 h (zero time), A is not yet reacted with B, it means that A is still 100 %, so the conversion at 0 h is still 0 %. But of course to determine the ratio of A to IS at zero h, and other times (x h, y h) you should do replications (at least n = 3), so the average values can be determined
I'm getting values like 78.39, 21.61 after 4 hrs. Then after 8 hrs 74.29 (IS), 25.71%. Area of starting material is increasing as the time is going on. I am really in confusion. Why it is happening, I have no idea. please give a valuable suggestion to me.
Hi, yes from your data it seemed that starting material relatively increased from 4 to 8 h (27.6 to 34 %). How was about the relative concentrations of A at 0 h, and maybe at 1, 2, or at 10 h? Did you have identical concentrations of IS at each time (0,.1, 2, x..,4, 8 h)?
You used GC MS, so you can know the identities and purities of your peaks (A, B, IS and Results X) by using their MS; Were all peaks at x, 4, 8 h still showed identical MS spectra of A, B, IS and X? and those peaks were not contaminated with other possible compound(s)?
If all peaks are confirmed their identities (A, B, IS, X at x, 4, 8 h) and not contaminated with other compound(s) at x, 4, 8 h, and the relative concentrations of A at 0, ..x (< 4 h) > at 4 h, so it might be you have reversible reaction.
Hi, I have sent via email to Sarah, Faezeh, Rekha and Pcrao. I am very sorry if I sent the chapter twice, I just open this message, and I forget whether I have already sent the chapter or not