updated test file for masses

lifs-tools · Jun 4, 2023 · d5d68ef · d5d68ef
1 parent c3f234f
commit d5d68ef
Showing 1 changed file with 9 additions and 9 deletions.
diff --git a/testfiles/lipid-masses.csv b/testfiles/lipid-masses.csv
@@ -143,15 +143,15 @@ SQDG,SQDG 16:0-16:0,C41H78O12S,[M-H]1-,793.514123,-1
 SQDG,SQDG 16:0-16:0,C41H78O12S,[M-H]1-,793.514123,-1
 Hex3Cer,Hex3Cer 18:1;2/24:1,C60H111NO18,[M+H]1+,1134.787392,1
 Hex3Cer,Hex3Cer 18:1;2/24:1,C60H111NO18,[M+H]1+,1134.787392,1
-Cer,GB4 18:1;2/24:1,C68H124N2O23,[M+H]1+,1337.866765,1
-Cer,GB4 18:1;2/24:1,C68H124N2O23,[M+H]1+,1337.866765,1
-Cer,GB4 18:1;2/24:1,C68H124N2O23,[M+H]1+,1337.866765,1
-Cer,GD3 18:1;2/24:0,C76H137N3O29,[M-H]1-,1554.9265,-1
-Cer,GD3 18:1;2/24:0,C76H137N3O29,[M-H]1-,1554.9265,-1
-Cer,GM3 18:1;2/24:1,C65H118N2O21,[M-H]1-,1261.815433,-1
-Cer,GM3 18:1;2/24:1,C65H118N2O21,[M-H]1-,1261.815433,-1
-Cer,GM4 18:1;2/24:0;1,C59H110N2O17,[M-H]1-,1117.773175,-1
-Cer,GM4 18:1;2/24:0;1,C59H110N2O17,[M-H]1-,1117.773175,-1
+Gal2GalNAcGlcCer,GB4 18:1;2/24:1,C68H124N2O23,[M+H]1+,1337.866765,1
+Gal2GalNAcGlcCer,GB4 18:1;2/24:1,C68H124N2O23,[M+H]1+,1337.866765,1
+Gal2GalNAcGlcCer,GB4 18:1;2/24:1,C68H124N2O23,[M+H]1+,1337.866765,1
+GalGlcNeuAc2Cer,GD3 18:1;2/24:0,C76H137N3O29,[M-H]1-,1554.9265,-1
+GalGlcNeuAc2Cer,GD3 18:1;2/24:0,C76H137N3O29,[M-H]1-,1554.9265,-1
+GalGlcNeuAcCer,GM3 18:1;2/24:1,C65H118N2O21,[M-H]1-,1261.815433,-1
+GalGlcNeuAcCer,GM3 18:1;2/24:1,C65H118N2O21,[M-H]1-,1261.815433,-1
+GalNeuAcCer,GM4 18:1;2/24:0;1,C59H110N2O17,[M-H]1-,1117.773175,-1
+GalNeuAcCer,GM4 18:1;2/24:0;1,C59H110N2O17,[M-H]1-,1117.773175,-1
 PEt,PEt 16:0-18:1,C39H75O8P,[M+NH4]1+,720.5537822,1
 PEt,PEt 16:0-18:1,C39H75O8P,[M+H]1+,703.5272327,1
 PEt,PEt 16:0-18:1,C39H75O8P,[M+H]1+,703.5272327,1