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

[HEAD]
!FRAGMENTS
Name=Frag95		Formula=C7H11			Charge=1	MSLevel=2	mandatory=false
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=Frag109		Formula=C8H13			Charge=1	MSLevel=2	mandatory=false
Name=NL_glycerol_92	Formula=NL_H2O-C3H6O2		Charge=1	MSLevel=2	mandatory=false
Name=NL_glycerol_110	Formula=NL_glycerol_92-H2O	Charge=1	MSLevel=2	mandatory=false
Name=Precursor		Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=other


!INTENSITIES
Equation=Frag95+NL_H2O+NL_glycerol_92+NL_glycerol_110>Precursor		mandatory=false
Equation=Frag95|NL_H2O|NL_glycerol_92|NL_glycerol_110			mandatory=true

