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Topics - nane

1
Compound identification / regarding metabolite extraction
I am working on plant  Arabidopsis.
I want to quantify suberin monomers in Arabidopsis stem by using HPLC-MS (LC-ESI-LTQOrbitrap).For this I am extracting samples using 60% methanol and will be using negative ionization.
is that ok.. or do I need to take care in any steps to identify suberin monomers...

thank you
2
XCMS Online / retention time deviation
Hi,
I have problem with retention time deviation.The instrument I am using is HPLC LTQ-orbitrab.
my samples are deviating upto 0.5 min(rt deviation file attached)
for this I have set a parameter bw=30sec(allowable RT correction) .so is this RT deviation of samples is acceptable or to reduce do I need to change parameter for RT correction?,if so what value shall I give.
other parameters that I have set are as follows:
1.negative ionisation
2.centwave method
3.ppm:20 (maximal tolerated m/z deviation in consecutive scans, in ppm (parts per million)
4.min peak width:10
5.max peak width:80
6.s/n threshold:5
7.integration method:1
prefilter peaks:3
9.peak intensity:2500
10.noise filter:2500
11.rt correction method:obiwrap
12.profstep:1
13.bw=30
14.mzwid:0.015
15.minfrac:0.5
16.max:100
17.minsample:3
18.isotopes and adducts
19.5ppm
20.for identification 5 ppm and for adducts M-H
please let me know the set parameters are correct or do i need to change any of them.
thank you .

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