Add LPI and LPG NH4adduct spectrum (#499)

* Add LPI[M+NH4]+ and LPG[M+NH4]+ annotation method --------- Co-authored-by: mikiko.takahashi <[email protected]>
systemsomicslab · Jan 27, 2025 · c560b4b · c560b4b
1 parent 8d9dc29
commit c560b4b
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Showing 2 changed files with 4 additions and 2 deletions.
diff --git a/src/Common/CommonStandard/Lipidomics/MsmsCharacterization.cs b/src/Common/CommonStandard/Lipidomics/MsmsCharacterization.cs
@@ -6366,7 +6366,7 @@ public static LipidMolecule JudgeIfLysopg(IMSScanProperty msScanProp, double ms2
             }
             else if (adduct.IonMode == IonMode.Positive)
             { // positive ion mode 
-                if (adduct.AdductIonName == "[M+H]+")
+                if (adduct.AdductIonName == "[M+H]+" || adduct.AdductIonName == "[M+NH4]+")
                 {
                     // seek Header loss (MG+ + chain Acyl) 
                     var threshold = 5.0;
@@ -6422,7 +6422,7 @@ public static LipidMolecule JudgeIfLysopi(IMSScanProperty msScanProp, double ms2
             }
             else if (adduct.IonMode == IonMode.Positive)
             { // positive ion mode 
-                if (adduct.AdductIonName == "[M+H]+")
+                if (adduct.AdductIonName == "[M+H]+"|| adduct.AdductIonName == "[M+NH4]+")
                 {
                     // seek Header loss (MG+ + chain Acyl) 
                     var threshold = 5.0;

diff --git a/src/Common/CommonStandard/Resources/LbmQueries.txt b/src/Common/CommonStandard/Resources/LbmQueries.txt
@@ -5,7 +5,9 @@ LPC	[M+Na]+	Positive	TRUE
 LPE	[M+H]+	Positive	TRUE
 LPS	[M+H]+	Positive	FALSE
 LPG	[M+H]+	Positive	FALSE
+LPG	[M+NH4]+	Positive	FALSE
 LPI	[M+H]+	Positive	FALSE
+LPI	[M+NH4]+	Positive	FALSE
 PC	[M+H]+	Positive	TRUE
 PC	[M+Na]+	Positive	TRUE
 PE	[M+H]+	Positive	TRUE