Lipixplorer Spectra import problem

[Prem Gupta]

Hi,

I have been trying to use Lipidxplorer for the Precurson Ion and neutral loss scan data obtained from a Waters triple quadrupole instrument. I am new to Lipixplorer and have tried to read whatever is available online on Lipidxplorer. While importing data I get the following debugging message.

Importing Pos_184

Polarity or sample C:\Users\Prem Gupta\Documents\Lipidxplorer\Pos_184: 1

Importing Pos_184A

Polarity or sample C:\Users\Prem Gupta\Documents\Lipidxplorer\Pos_184A: 1

0.24 sec. for reading the spectra

0.00 sec. for calibrating the spectra

Aligning MS spectra linear

> Nb. of MS peaks (after alg.)..          0

Aligning MS/MS spectra linear

0.00 sec. for aligning the spectra

Save output to C:\Users\Prem Gupta\Documents\Lipidxplorer\Lipidxplorer.sc.

0.25 sec. for the whole import process

What could be the issue? Any help will be highly appreciated.

Thanks,

Prem Gupta.

[Prem Gupta]

Hi,

I also wanted to add that I am checking MS Only as my spectra is in the form of parent ion masses and intensities. Is it possible to know generic triple quadrupole settings to begin? Then I can tweak as per my requirement.

Thanks,

Prem.

[Dr. Ronny Herzog]

Dear Prem Gupta,

It looks like your import settings don't fit. Did you checkout this paper? There are some sentences about settings for quadrupol instruments.

I attached the settings file which we used for this paper. It contains a setting for a low resolution instrument (HCD_7500_7500).

However, I do not think that the resolution setting is the problem, but the time range and/or mass range setting. Check if this is correct.

Cheers,
Ronny

On 08.09.2017 06:01, Prem Gupta wrote:

Hi,

I also wanted to add that I am checking MS Only as my spectra is in the form of parent ion masses and intensities. Is it possible to know generic triple quadrupole settings to begin? Then I can tweak as per my requirement.

Thanks,

Prem.

On Thursday, September 7, 2017 at 8:37:52 PM UTC-7, Prem Gupta wrote:

Hi,

I have been trying to use Lipidxplorer for the Precurson Ion and neutral loss scan data obtained from a Waters triple quadrupole instrument. I am new to Lipixplorer and have tried to read whatever is available online on Lipidxplorer. While importing data I get the following debugging message.

Importing Pos_184

Polarity or sample C:\Users\Prem Gupta\Documents\Lipidxplorer\Pos_184: 1

Importing Pos_184A

Polarity or sample C:\Users\Prem Gupta\Documents\Lipidxplorer\Pos_184A: 1

0.24 sec. for reading the spectra

0.00 sec. for calibrating the spectra

Aligning MS spectra linear

> Nb. of MS peaks (after alg.)..          0

Aligning MS/MS spectra linear

0.00 sec. for aligning the spectra

Save output to C:\Users\Prem Gupta\Documents\Lipidxplorer\Lipidxplorer.sc.

0.25 sec. for the whole import process

What could be the issue? Any help will be highly appreciated.

Thanks,

Prem Gupta.

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[Prem Gupta]

Thanks a lot Ronny for suggestions. I will look into these settings.

Prem.

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[Prem Gupta]

Ronny,

Why do we use time setting if the .csv file does not contain any information about time? It contains just m/z and intensity. I am attaching two spectra. Is this a correct format? Tthis is a precursor ion scan m/z 184 for PC and LPC.

Thanks,

Prem Gupta.

Thanks,

Prem.

On Friday, September 8, 2017 at 1:02:49 AM UTC-7, Dr. Ronny Herzog wrote:

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[Dr. Ronny Herzog]

Dear Prem,

LipidXplorer does not support numbers formatted as a combination of exponents. You have to make sure that e.g. 5.12E+03 is written 5120.

Cheers,
Ronny

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