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


[HEAD]
!FRAGMENTS
Name=Precursor	Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=HexK	Formula=C6H10O5K Charge=1 MSLevel=2 mandatory=false 
Name=Hex2K	Formula=C12H20O10K Charge=1 MSLevel=2 mandatory=false 
Name=NL_Hex	Formula=$PRECURSOR-C6H10O5 Charge=1 MSLevel=2 mandatory=false 

[CHAINS]
!FRAGMENTS
Name=NL_Carboxy	Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=true
Name=NL_Carboxy_CH2	Formula=$PRECURSOR-$CHAIN-CH2	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
