[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=5%
RetentionTimePostprocessing=false
RetentionTimeParallelSeries=false
singleChainIdentification=false
ChainCutoff=10%
SpectrumCoverage=12%
MSIdentificationOrder=MSnOnly

[HEAD]
!FRAGMENTS
Name=NL_NH3	Formula=$PRECURSOR-NH3	Charge=1	MSLevel=2	mandatory=false
Name=NL_NH3_H2O_35	Formula=$PRECURSOR-H5NO	Charge=1	MSLevel=2	mandatory=true
Name=NL_H20	Formula=$PRECURSOR-H2O	Charge=1	MSLevel=2	mandatory=false
Name=Precursor	Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=(NL_NH3_H2O_35+NL_H20)>0.05*$BASEPEAK	mandatory=true
Equation=12*NL_NH3_H2O_35>Precursor		mandatory=true

[CHAINS]
!FRAGMENTS
Name=NL_Carboxy_NH3	Formula=$PRECURSOR-$CHAIN-NH3	Charge=1	MSLevel=2	mandatory=true
Name=Carboxy_OH		Formula=$CHAIN-OH		Charge=1	MSLevel=2	mandatory=false
Name=Carboxy_H2O_OH	Formula=$CHAIN-H3O2		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=1.5*(NL_Carboxy_NH3+Carboxy_H2O_OH)>Carboxy_OH		mandatory=true
Equation=(Carboxy_OH+Carboxy_H2O_OH)*2<NL_NH3_H2O_35+Precursor	mandatory=true

