########################################################## # Identify LPA with checking the precursor mass AND FA # ########################################################## QUERYNAME = lysoPhosphatidicAcid; DEFINE PR = 'C[17..25] H[30..70] O[7] P[1]' WITH DBR = (1.5,7.5), CHG = -1; DEFINE FA1 ='C[14..22] H[20..50] O[2]' WITH DBR = (1.5,7.5), CHG = -1; IDENTIFY lysoPhosphatidicAcid WHERE # marking PR IN MS1- AND FA1 IN MS2- SUCHTHAT isEven(FA1.chemsc[C]) AND FA1.chemsc + 'C3 H7 O5 P1' == PR.chemsc REPORT MASS = "%4.4f" % "(PR.mass)"; CHEMSC = PR.chemsc; ERROR = "%2.2fppm" % "(PR.errppm)"; NAME = "LPA [%d:%d]" % "((PR.chemsc)[C] - 3, (PR.chemsc)[db] - 1.5)"; PRECURINTENS = PR.intensity; FAS = FA1.intensity;; ################ end script ##################