[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.02%
SpectrumCoverage=5%
RetentionTimePostprocessing=true
ChainCutoff=50%
ValidOnlyWithOtherAdduct=H|NH4
OtherAdductValidityTolerance=0.2

[HEAD]
!FRAGMENTS
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=true
Name=Frag95		Formula=C7H11			Charge=1	MSLevel=2	mandatory=false
Name=Frag102		Formula=C6H16N			Charge=1	MSLevel=2	mandatory=false
Name=Frag109		Formula=C8H13			Charge=1	MSLevel=2	mandatory=false


!INTENSITIES
Equation=Precursor*2>Frag95		mandatory=true
Equation=Precursor*2>Frag102		mandatory=true
Equation=Precursor*2>Frag109		mandatory=true
