diff --git a/testfiles/shorthand-test.csv b/testfiles/shorthand-test.csv index 27de9bdd..9f934c18 100644 --- a/testfiles/shorthand-test.csv +++ b/testfiles/shorthand-test.csv @@ -4,7 +4,7 @@ PC O-16:0/O-18:1(9Z),PC O-16:0/O-18:1(9),PC O-16:0/O-18:1,PC O-16:0_O-18:1,PC dO "Cer 18:0;1OH,3OH/16:0",Cer 18:0;(OH)2/16:0,Cer 18:0;O2/16:0,Cer 18:0;O2/16:0,Cer 34:0;O2,, "IPC(1) 18:1(8E);3OH,4OH/24:0;2OH",IPC 18:1(8);(OH)2/24:0;OH,IPC 18:1;O3/24:0;O,IPC 18:1;O3/24:0;O,IPC 42:1;O4,, CerP(1) 18:1(4E);3OH/16:0;2OH,CerP 18:1(4);OH/16:0;OH,CerP 18:1;O2/16:0;O,CerP 18:1;O2/16:0;O,CerP 34:1;O3,C34H68NO7P, -Gal-Gal-Glc-Cer(1) 18:1(4E);3OH/26:1(17Z),Gal-Gal-Glc-Cer 18:1(4);OH/26:1(17),Gal2GlcCer 18:1;O2/26:1,Gal2GlcCer 18:1;O2/26:1,Gal2GlcCer 44:2;O2,C62H115NO18, +Gal-Gal-Glc-Cer(1) 18:1(4E);3OH/26:1(17Z),Gal-Gal-Glc-Cer 18:1(4);OH/26:1(17),Hex3Cer 18:1;O2/26:1,Hex3Cer 18:1;O2/26:1,Hex3Cer 44:2;O2,C62H115NO18, "PC 16:0/20:2(5Z,13E);[8-12cy5:0;11OH;9oxo];15OH","PC 16:0/20:2(5,13);[cy5:0;OH;oxo];OH",PC 16:0/20:4;O3,PC 16:0_20:4;O3,PC 36:4;O3,, "PE-N(FA 8:0) 30:5(12Z,15Z,18Z,21Z,24Z)/18:0","PE-N(FA 8:0) 30:5(12,15,18,21,24)/18:0",PE-N(FA 8:0) 30:5/18:0,PE-N(FA 8:0) 30:5_18:0,PE-N(FA) 56:5,C61H110NO9P, LPC O-16:1(11Z)/0:0,LPC O-16:1(11)/0:0,LPC O-16:1/0:0,LPC O-16:1,LPC O-16:1,, @@ -34,8 +34,8 @@ MG 18:0/0:0/0:0,MG 18:0/0:0/0:0,MG 18:0/0:0/0:0,MG 18:0,MG 18:0,C21H42O4, LPC 20:1(11Z)/0:0,LPC 20:1(11)/0:0,LPC 20:1/0:0,LPC 20:1,LPC 20:1,C28H56NO7P, "SPB 18:0;1OH,3OH",SPB 18:0;(OH)2,SPB 18:0;O2,SPB 18:0;O2,SPB 18:0;O2,C18H39NO2, LPIM1 19:1(9Z)/0:0,LPIM1 19:1(9)/0:0,LPIM1 19:1/0:0,LPIM1 19:1,LPIM1 19:1,C34H63O17P, -"Hex-Hex-Cer(1) 17:1(5E);15Me;3OH,4OH/22:0;2OH",Hex-Hex-Cer 17:1(5);Me;(OH)2/22:0;OH,Hex2Cer 18:1;O3/22:0;O,Hex2Cer 18:1;O3/22:0;O,Hex2Cer 40:1;O4,C52H99NO15, -"Glc-Cer(1) 21:0;[13-15cy3:0];3OH,4OH/22:1(16E);2OH;15oxo",Glc-Cer 21:0;[cy3:0];(OH)2/22:1(16);OH;oxo,GlcCer 21:1;O3/22:2;O2,GlcCer 21:1;O3/22:2;O2,GlcCer 43:3;O5,C49H91NO11, +"Gal-Glc-Cer(1) 17:1(5E);15Me;3OH,4OH/22:0;2OH",Gal-Glc-Cer 17:1(5);Me;(OH)2/22:0;OH,Hex2Cer 18:1;O3/22:0;O,Hex2Cer 18:1;O3/22:0;O,Hex2Cer 40:1;O4,C52H99NO15, +"Glc-Cer(1) 21:0;[13-15cy3:0];3OH,4OH/22:1(16E);2OH;15oxo",Glc-Cer 21:0;[cy3:0];(OH)2/22:1(16);OH;oxo,HexCer 21:1;O3/22:2;O2,HexCer 21:1;O3/22:2;O2,HexCer 43:3;O5,C49H91NO11, FA 8:0;[6-8SScy5:0],FA 8:0;[SScy5:0],FA 8:1;S2,FA 8:1;S2,FA 8:1;S2,C8H14O2S2, "FA 20:0;[12-15Ocy5:2(12E,13E);13Me,14Me]","FA 20:0;[Ocy5:2(12,13);(Me)2]",FA 22:3;O,FA 22:3;O,FA 22:3;O,C22H38O3, DG O-16:0/0:0/O-16:1(9Z),DG O-16:0/0:0/O-16:1(9),DG O-16:0/0:0/O-16:1,DG O-16:0_O-16:1,DG dO-32:1,C35H70O3,