|
|
| Line 1: |
Line 1: |
| | # Phosphatidylethanolamine in negative mode. Detect lipids by fatty acid scan: [[File:PE_negative_FAS.mfql|PE_negative_FAS.mfql]] | | # Phosphatidylethanolamine in negative mode. Detect lipids by fatty acid scan: [[File:PE_negative_FAS.mfql|PE_negative_FAS.mfql]] |
| − |
| |
| − | <pre>
| |
| − | ##########################################################
| |
| − | # Identify PE with checking the precursor mass, FAS #
| |
| − | ##########################################################
| |
| − |
| |
| − | QUERYNAME = Phosphatidylethanolamine;
| |
| − | DEFINE PR = 'C[33..49] H[50..100] O[8] N[1] P[1]' WITH DBR = (2.5,9.5), CHG = -1;
| |
| − | DEFINE FA1 ='C[12..22] H[20..50] O[2]' WITH DBR = (1.5,7.5), CHG = -1;
| |
| − | DEFINE FA2 ='C[12..22] H[20..50] O[2]' WITH DBR = (1.5,7.5), CHG = -1;
| |
| − |
| |
| − | IDENTIFY
| |
| − |
| |
| − | # marking
| |
| − | PR IN MS1- AND
| |
| − | FA1 in MS2- AND
| |
| − | FA2 in MS2-
| |
| − |
| |
| − | SUCHTHAT
| |
| − |
| |
| − | FA1.chemsc + FA2.chemsc + 'C5 H11 O4 N1 P1' == PR.chemsc
| |
| − |
| |
| − | REPORT
| |
| − | MASS = PR.mass;
| |
| − | CHEMSC = PR.chemsc;
| |
| − | COMPSC = "PO%dNC%dH%d" % "(PR.chemsc[O], PR.chemsc[C], PR.chemsc[H])";
| |
| − | ERROR = "%2.2fppm" % "(PR.errppm)";
| |
| − | NAME = "PE [%d:%d]" % "((PR.chemsc)[C] - 5, (PR.chemsc)[db] - 2.5)";
| |
| − | SPECIE = "PE [%d:%d / %d:%d]" % "(FA1.chemsc[C], FA1.chemsc[db] - 1.5, FA2.chemsc[C], FA2.chemsc[db] - 1.5)";
| |
| − | PRECURINTENS = PR.intensity;
| |
| − | FAS = sumIntensity(FA1, FA2);;
| |
| − |
| |
| − | ################ end script #################</pre>
| |
