[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.1%
SpectrumCoverage=5%
RetentionTimePostprocessing=true


[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=Phosphate_79	Formula=PO3			Charge=1	MSLevel=2	mandatory=false
Name=Phosphate_97	Formula=H2PO4			Charge=1	MSLevel=2	mandatory=false
Name=PL158		Formula=C3H1D5O5P		Charge=1	MSLevel=2	mandatory=false
Name=PL176		Formula=C3H3D5O6P		Charge=1	MSLevel=2	mandatory=false
Name=PIhead_223		Formula=C6H8O7P			Charge=1	MSLevel=2	mandatory=false
Name=PIhead_241		Formula=C6H10O8P		Charge=1	MSLevel=2	mandatory=true
Name=PIhead_259		Formula=C6H12O9P		Charge=1	MSLevel=2	mandatory=false
Name=PIhead_302		Formula=C9H9D5O9P		Charge=1	MSLevel=2	mandatory=false
Name=PIhead_320		Formula=C9H11D5O10P		Charge=1	MSLevel=2	mandatory=false



[CHAINS]
!FRAGMENTS
Name=Carboxy		Formula=$CHAIN-H		Charge=1	MSLevel=2	mandatory=true
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene		Formula=$PRECURSOR-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Ino	Formula=NL_Carboxy-C6H10O5	Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene_Ino	Formula=NL_Ketene-C6H10O5	Charge=1	MSLevel=2	mandatory=false


!INTENSITIES
Equation=NL_Carboxy*0.9>NL_Ketene		mandatory=true

