[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.25%
ChainCutoff=50%
RetentionTimePostprocessing=true
SpectrumCoverage=10%

[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=true
Name=PChead_147			Formula=C2H5O4PNa		Charge=1	MSLevel=2	mandatory=false
Name=NL_trimethylamine_59	Formula=$PRECURSOR-C3H9N	Charge=1	MSLevel=2	mandatory=true
Name=NL_PChead_183		Formula=$PRECURSOR-C5H14NO4P	Charge=1	MSLevel=2	mandatory=true
Name=NL_PChead_205		Formula=$PRECURSOR-C5H13NO4PNa	Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_183_iso		Formula=NL_PChead_183-H		Charge=1	MSLevel=2	mandatory=false
Name=PChead_184_wrong		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other
Name=NL_PE43_wrong		Formula=$PRECURSOR-C2H5N	Charge=1	MSLevel=2	mandatory=other
Name=NL_PE141_wrong		Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=other


!INTENSITIES
Equation=Precursor>0.2*$BASEPEAK					 mandatory=true
Equation=NL_trimethylamine_59>0.1*$BASEPEAK				 mandatory=true
Equation=NL_trimethylamine_59*1.4>NL_PChead_183				 mandatory=true
Equation=NL_PChead_183_iso<0.05*$BASEPEAK				 mandatory=true
Equation=NL_trimethylamine_59+NL_PChead_183>0.25*Precursor		 mandatory=true
Equation=NL_trimethylamine_59+NL_PChead_183>0.05*PChead_184_wrong	 mandatory=true
Equation=NL_trimethylamine_59+NL_PChead_183>NL_PE43_wrong+NL_PE141_wrong mandatory=true


[CHAINS]
!FRAGMENTS
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Na	Formula=$PRECURSOR-$CHAIN+H-Na		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Head	Formula=$PRECURSOR-$CHAIN-NC3H9		Charge=1	MSLevel=2	mandatory=true
Name=NL_Carboxy_Head_Na	Formula=$PRECURSOR-$CHAIN-NC3H9Na	Charge=1	MSLevel=2	mandatory=false

[POSITION]
!INTENSITIES
Equation=NL_Carboxy_Head[1]*0.7>NL_Carboxy_Head[2]			mandatory=true
Equation=NL_Carboxy_Head_Na[1]*0.5>NL_Carboxy_Head_Na[2]		mandatory=true
Equation=NL_Carboxy[1]*0.7>NL_Carboxy[2]				mandatory=false