[GENERAL]
AmountOfChains=2
AmountOfLCBs=1
ChainLibrary=fattyAcidChains.xlsx
LCBLibrary=dLCB.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.1%
ChainCutoff=70%
SpectrumCoverage=5%
FaHydroxylationRange=0-1
LcbHydroxylationRange=1-3
RetentionTimePostprocessing=true
SingleChainIdentification=false


[HEAD]
!FRAGMENTS
Name=NL_Hex			Formula=$PRECURSOR-C6H10O5	Charge=1	MSLevel=2	mandatory=false
Name=NL_Hex_H2O			Formula=NL_Hex-H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_formaldehyde+H2O	Formula=NL_Hex-CH4O2		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_Hex|NL_Hex_H2O			mandatory=true
Equation=NL_Hex+NL_Hex_H2O>0.4*$BASEPEAK	mandatory=true

[CHAINS]
!FRAGMENTS
Name=SPH_fragment	Formula=$LCB-H6ON			Charge=1	MSLevel=2	mandatory=true		oh=2
Name=SPH_fragment_3	Formula=$LCB-CH8ON			Charge=1	MSLevel=2	mandatory=false		oh=3
Name=Carboxy		Formula=$CHAIN-H			Charge=1	MSLevel=2	mandatory=true		
Name=Ketene		Formula=$CHAIN-H3O			Charge=1	MSLevel=2	mandatory=false
Name=NL_LCB_part	Formula=$CHAIN+C3H4N1			Charge=1	MSLevel=2	mandatory=false		

!INTENSITIES
Equation=Carboxy>0.005*$BASEPEAK		mandatory=true
Equation=Carboxy>1.5*SPH_fragment		mandatory=true
Equation=Carboxy>1.5*SPH_fragment_3		mandatory=true

[POSITION]
!INTENSITIES
Equation=Carboxy[2]>0*$BASEPEAK		mandatory=true



