MassQueryLanguage
MassQueryLanguage copied to clipboard
mwang87
Isotope pattern
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)
