diff --git a/testfiles/lipid-masses.csv b/testfiles/lipid-masses.csv index cdf45d84..147c81aa 100644 --- 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