Thank you, Jimmy and Matt. Does this discrepancy affect zero 'precursorIntensity' also?
Taejoon On Dec 3, 11:38 am, Matthew Chambers <[email protected]> wrote: > 672.315 is the monoisotopic m/z that the instrument reported. It's not > the most intense peak because it's a +4 ion: it's expected that the +1 > isotope is the most intense. > > -Matt > > Taejoon Kwon wrote: > > Hi, > > > I converted my RAW file with ReAdW 4.3.1, and found some strange > > inconsistency in precursor m/z. > > > ---- > > <scan num="1333" > > msLevel="2" > > peaksCount="656" > > polarity="+" > > scanType="Full" > > filterLine="ITMS + c NSI d Full ms2 [email protected] > > [175.00-2000.00]" > > retentionTime="PT2387.37S" > > lowMz="191.012" > > highMz="1982.6" > > basePeakMz="823.611" > > basePeakIntensity="1722.97" > > totIonCurrent="13151.2" > > collisionEnergy="35" > > > <precursorMz precursorIntensity="0" precursorCharge="4" > > activationMethod="CID" >672.3157959</precursorMz> > > ---- > > > In filterLine, ms2 precursor m/z is recorded as '672.57'. However, in > > precursorMz element, it is said as '672.3157959'. It is not only for > > the m/z value, but also for precursorIntensity. I looked at ms1 > > spectra, and found the strong peak near 672.57, not near 672.315. > > > I wonder how precursorMz is converted in ReAdW, and any reason of this > > inconsistency. > > > For your information, here is the header of converted mzXML. > > > ---- > > <?xml version="1.0" encoding="ISO-8859-1"?> > > <mzXML xmlns="http://sashimi.sourceforge.net/schema_revision/ > > mzXML_3.1" > > xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"; > > xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/ > > mzXML_3.1http://sashimi.sourceforge.net/schema_revision/mzXML_3.1/mzXML_idx_3...."; > > > <msRun scanCount="14565" startTime="PT0.5709S" endTime="PT17999.6S" > > > <parentFile fileName="MSups_5ul.RAW" fileType="RAWData" > > fileSha1="963090b48d2ce691f80b3309c7d90f86680be450" /> > > <msInstrument> > > <msManufacturer category="msManufacturer" value="Thermo > > Scientific" /> > > <msModel category="msModel" value="LTQ Orbitrap" /> > > <msIonisation category="msIonisation" value="NSI" /> > > <msMassAnalyzer category="msMassAnalyzer" value="FTMS" /> > > <msDetector category="msDetector" value="unknown" /> > > <software type="acquisition" name="Xcalibur" version="2.4 SP1" /> > > </msInstrument> > > <dataProcessing> > > <software type="conversion" name="ReAdW" version="4.3.1(build Sep > > 9 2009 12:30:29)" /> > > </dataProcessing> > > ----- > > > Thanks, > > > Taejoon Kwon > > > -- > > > You received this message because you are subscribed to the Google Groups > > "spctools-discuss" group. > > To post to this group, send email to [email protected]. > > To unsubscribe from this group, send email to > > [email protected]. > > For more options, visit this group > > athttp://groups.google.com/group/spctools-discuss?hl=en. -- You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/spctools-discuss?hl=en.
