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

[HEAD]
!FRAGMENTS
Name=Precursor	Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=HexNa	Formula=C6H10O5Na Charge=1 MSLevel=2 mandatory=true

[CHAINS]
!FRAGMENTS
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

[POSITION]
!INTENSITIES
Equation=NL_Carboxy[1]>NL_Carboxy[2]*1.9					mandatory=false
