Difference between revisions of "Negative mode e.coli"
From LipidXplorer
(Created page with 'Phosphatidylethanolamine') |
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− | [[File:PE_negative_FAS.mfql|Phosphatidylethanolamine]] | + | # 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> |
Revision as of 18:55, 6 December 2010
- Phosphatidylethanolamine in negative mode. Detect lipids by fatty acid scan: File:PE negative FAS.mfql
########################################################## # 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 #################