Added MS/MS rules for SQDG pos mode
@@ -129,8 +129,8 @@ public enum LipidClasses {
new String[] {"FA"}), //
SULFOQUINOVOSYLDIACYLGLYCEROLS("Sulfoquinovosyldiacylglycerols", "SQDG",
LipidCoreClasses.GLYCEROLIPIDS, LipidMainClasses.GLYCOSYLDIACYLGLYCEROLS, "C11H16O12S", 2, 0,
- new String[] {""}, new String[] {"FA", "M-FA", "fragment C6H9O7S"}), //
-
+ new String[] {"M-FA", "M-C6H9O7S", "M-FA-C6H9O7S"},
+ new String[] {"FA", "M-FA", "fragment C6H9O7S"}), //
// Glycerophospholipids
DIACYLGLYCEROPHOSPHOCHOLINES("Diacylglycerophosphocholines", "PC",
LipidCoreClasses.GLYCEROPHOSPHOLIPIDS, LipidMainClasses.PHOSPHATIDYLCHOLINE, "C10H18O8PN", 2,
@@ -164,8 +164,6 @@ public enum LipidClasses {
MONOALKYLGLYCEROPHOSPHOETHANOLAMINES("Monoalkylglycerophosphoethanolamines", "PE",
LipidCoreClasses.GLYCEROPHOSPHOLIPIDS, LipidMainClasses.GLYCEROPHOSPHOETHANOLAMINES,
"C5H13O6PN", 0, 1, new String[] {""}, new String[] {""}), //
-
-
DIACYLGLYCEROPHOSPHOSERINES("Diacylglycerophosphoserines", "PS",
LipidCoreClasses.GLYCEROPHOSPHOLIPIDS, LipidMainClasses.GLYCEROPHOSPHOSERINES, "C8H12O10PN",
2, 0, new String[] {""}, new String[] {"FA", "fragment M-C3H5NO2", "fragment M-C3H5NO2-FA"}), //
@@ -181,8 +179,6 @@ public enum LipidClasses {
MONOALKYLGLYCEROPHOSPHOSERINES("Monoalkylglycerophosphoserines", "PS",
LipidCoreClasses.GLYCEROPHOSPHOLIPIDS, LipidMainClasses.GLYCEROPHOSPHOSERINES, "C6H13O8PN", 0,
1, new String[] {""}, new String[] {""}), //
-
-
DIACYLGLYCEROPHOSPHOGLYCEROLS("Diacylglycerophosphoglycerols", "PG",
LipidCoreClasses.GLYCEROPHOSPHOLIPIDS, LipidMainClasses.GLYCEROPHOSPHOGLYCEROLS, "C8H13O10P",
2, 0, new String[] {""}, new String[] {"FA", "M-FA", "M-FA-H2O"}), //
