[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=SQ_head	Formula=C9H15O8SNa2	Charge=1	MSLevel=2	mandatory=true
Name=SO3Na2	Formula=SO3Na2	Charge=1	MSLevel=2	mandatory=true

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

