Hallo,

I have problem in the conversion of .raw files to mzXML with readw.exe.
I have observed that in my complex samples wrong precusor masses are 
assigned.

Here one example:

<scan num="17"
msLevel="2"
peaksCount="20"
polarity="-"
scanType="Full"
filterLine="ITMS - c NSI d Full ms2 [email protected] [50.00-755.00]"
retentionTime="PT173.537S"
lowMz="140.075"
highMz="744.208"
basePeakMz="743.461"
basePeakIntensity="3062.26"
totIonCurrent="5392.25"
collisionEnergy="21" >
<precursorMz precursorIntensity="518823" precursorCharge="1" 
activationMethod="PQD" >742.53875732</precursorMz>
<peaks precision="32"
byteOrder="network"
contentType="m/z-int"
compressionType="none"
compressedLen="0" 
 >QwwTJECWpu1DRCzTQI6UNkN9LWhACBJpQ4WhrkF77EZDhiVUQMXt9kOMqdFEmB26Q40pnEQ/DXdDk7vKQN3uzUOUOkRBDZl6Q5q4TkAD2xVD5iz9QXdOq0Pmu5ZBpkQSQ+85U0LTIyND77R7QuHiLUP2vzNAAKBwRCUxu0CKXzZEJV9YQZWfu0Qu4S9AK0qJRDndhEU/ZDpEOg1NQXUN1w==</peaks>
</scan>

Is somewhere a MS/MS grouping default set? How can I fix this error.

best
Dominiik

-- 
Dr. Dominik Schwudke
Group Leader

National Centre for Biological Sciences
Tata Institute of Fundamental Research
GKVK, Bellary Road,
Bangalore 560065, India

Phone +91-80 – 23666499
[email protected]


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