[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.02%
ChainCutoff=50%
AlkenylChains=1
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=PChead_104		Formula=C5H14NO		Charge=1	MSLevel=2	mandatory=false
Name=PChead_125		Formula=C2H6O4P		Charge=1	MSLevel=2	mandatory=false
Name=PChead_184		Formula=C5H15NO4P	Charge=1	MSLevel=2	mandatory=false
Name=Precursor		Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=NL-triMeth		Formula=$PRECURSOR-NC3H9	Charge=1	MSLevel=2	mandatory=false
Name=NL-Na_wrong	Formula=$PRECURSOR-P1O4C5N1H14	Charge=1	MSLevel=2	mandatory=false

[CHAINS]
!FRAGMENTS
Name=NL_Ketene	Formula=$PRECURSOR-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false

Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN		Charge=1	MSLevel=2	mandatory=false
Name=NL_Kete_Alk	Formula=$PRECURSOR-$ALKENYLCHAIN+H2O	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carb_Alk	Formula=$PRECURSOR-$ALKENYLCHAIN	Charge=1	MSLevel=2	mandatory=false
Name=Carb_Alk		Formula=$ALKENYLCHAIN+H			Charge=1	MSLevel=2	mandatory=false

