[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
ChainCutoff=1%


[HEAD]
!FRAGMENTS
Name=Precursor	Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=GlycerolHexH2O	Formula=C9H15O7 Charge=1 MSLevel=2 mandatory=true
Name=GlycerolHexH4O2	Formula=C9H17O8 Charge=1 MSLevel=2 mandatory=true
Name=GlycerolHex2H2O	Formula=C15H25O12 Charge=1 MSLevel=2 mandatory=other
Name=GlycerolHex2H4O2	Formula=C15H27O13 Charge=1 MSLevel=2 mandatory=other

!INTENSITIES
Equation=GlycerolHex2H2O*1.5<GlycerolHexH2O										mandatory=true
Equation=GlycerolHex2H4O2*1.5<GlycerolHexH4O2										mandatory=true

[CHAINS]
!FRAGMENTS
Name=NL_Carboxy	Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false
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_H	Formula=$CHAIN-H	Charge=1	MSLevel=2	mandatory=true
