[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)


[HEAD]
!FRAGMENTS
Name=Precursor	Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=HexNa	Formula=C6H10O5Na Charge=1 MSLevel=2 mandatory=false 
Name=Hex2Na	Formula=C12H20O10Na Charge=1 MSLevel=2 mandatory=false
Name=Hex3Na	Formula=C18H30O15Na Charge=1 MSLevel=2 mandatory=false
Name=Hex4Na	Formula=C24H40O20Na Charge=1 MSLevel=2 mandatory=false     
Name=NL_Hex	Formula=$PRECURSOR-C6H10O5 Charge=1 MSLevel=2 mandatory=true
Name=NL_Hex2	Formula=$PRECURSOR-C12H20O10 Charge=1 MSLevel=2 mandatory=false 
Name=NL_Hex3	Formula=$PRECURSOR-C18H30O15 Charge=1 MSLevel=2 mandatory=false
Name=NL_Hex4	Formula=$PRECURSOR-C24H40O20 Charge=1 MSLevel=2 mandatory=true  

[CHAINS]
!FRAGMENTS
Name=NL_Carboxy	Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=true
Name=NL_Carboxy_Hex	Formula=$PRECURSOR-$CHAIN-C6H10O5	Charge=1	MSLevel=2	mandatory=true
Name=Carboxy_H2O_OH	Formula=$CHAIN-H3O2	Charge=1	MSLevel=2	mandatory=false
Name=Carboxy_OH	Formula=$CHAIN-OH	Charge=1	MSLevel=2	mandatory=false
Name=Carboxy	Formula=$CHAIN	Charge=1	MSLevel=2	mandatory=false

[POSITION]
!INTENSITIES
Equation=NL_Carboxy[1]>NL_Carboxy[2]*1.6					mandatory=true
