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Isotope pattern #124

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robinschmid opened this issue Aug 18, 2021 · 0 comments
Open

Isotope pattern #124

robinschmid opened this issue Aug 18, 2021 · 0 comments

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@robinschmid
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robinschmid commented Aug 18, 2021 •
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Maybe its possible to introduce a simple condition for signal patterns?

Brominated compounds (current query)

QUERY scaninfo(MS2DATA) WHERE 
MS1MZ=X:INTENSITYMATCH=Y:INTENSITYMATCHREFERENCE 
AND MS1MZ=X+2:INTENSITYMATCH=Y:INTENSITYMATCHPERCENT=5

What about:

QUERY scaninfo(MS2DATA) WHERE 
MS1PATTERN=(X,100 : 2,100) : INTENSITYMATCHPERCENT=5

Complex example for Dichlorobenzidine with C12H10Cl2N2

QUERY scaninfo(MS2DATA) WHERE
MS1PATTERN=(X, 100:  1, 14:  2, 65:  3, 9:  4,11)
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