Can I use optimized parameters by IPO Package (R Script) in the XCMS Online platform as preprocessing step for untargeted metabolomics?

Which type of compound does lamda max of 218 indicate in a uv-vis spectrum of a partially purified compound through column and TLC?

A crude extract of fungal culture using EtOH was subjected to column and TLC and partially purified compound was obtained. UV vis spectrum of the compound/s has max absorbance at 218nm. The...

11 August 2024 9,801 2 View

Can you connect an HPLC to a Mass Spec only at a certain time point?

Can anyone explain this method? Especially the last statement where it says only at 1.5 to 2.5mins was the MS/MS connected to the UPLC. How is that possible, is it a feature in this specific...

11 August 2024 8,141 3 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...

08 August 2024 8,329 0 View

Can I use a HisTRAP column for affinity chromatography?

I'm working on selecting antibodies against a recombinant protein that has a His-tag. My idea is to first bind the recombinant protein to a HisTRAP column and then use this column for an affinity...

07 August 2024 505 3 View

How to normalize and take the significance of the MTT OD values with 3 replicates for the same cell-line?

Hi, I have a question about normalizing the MTT OD values for doing the statistical analysis. So, if we have 3 different plates and we call them 3 different replicates, so, first we would...

07 August 2024 8,106 4 View

Why is electronic energy 0.000 for liquid crystal compounds and is invariable with temperature in Guassian 09 software?

Are there any suggestions or insights you can provide to help address this problem

06 August 2024 1,443 2 View

How can major oxides determined by ICP-MS/ES be normalized to 100% volatile free? How does this connect with LOI?

I am analyzing cherts from different sources found within one specific geologic formation using ICP-MS/ES. My committee was asking this question about my analysis. I was not sure how to answer this

05 August 2024 7,902 3 View

If we are using snowball sampling technique, how do we justify the true representativeness of the sample statistically? is there any statistical test?

Are there any statistical methods to justify your sampling technique using SPSS or AMOS?

05 August 2024 9,153 4 View

Usage of internal standards in LC-MS/MS analysis?

Have you ever seen a LC-MS/MS method uses both internal standards and external standards (in matrix matching purpose) but the concentrations of internal standards are outside the calibration curve...

05 August 2024 3,084 6 View

Heaven Le A Roberts

Were you able to resolve this? I believe I overcame a similar issue at one point. I can look for my script if you have not already found an alternative.

Yasin El Abiead

In my experience, this should generally work. However, if you want to check whether you can trust the XCMS-output after using those parameters, you can use mzRAPP to check the performance quality of XCMS's data pre-processing. (I am the author of mzRAPP)