[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.1%
ChainCutoff=40%
SpectrumCoverage=10%
RetentionTimePostprocessing=true
MSIdentificationOrder=MSnOnly

[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=true
Name=NL_trimethylamine_59	Formula=$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=PChead_184_WRONG		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_PChead_183>PChead_184_WRONG			mandatory=true
Equation=0.9*NL_PChead_183>Precursor			mandatory=true
Equation=1.2*NL_PChead_183>NL_trimethylamine_59		mandatory=true

[CHAINS]
!FRAGMENTS
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene		Formula=$PRECURSOR-$CHAIN+H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy-Na	Formula=$PRECURSOR-$CHAIN+H-Na		Charge=1	MSLevel=2	mandatory=false
Name=NL_Ketene-Head	Formula=$PRECURSOR-$CHAIN+H2O-C3H9N	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Head	Formula=$PRECURSOR-$CHAIN-NC3H9		Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy_Head_Na	Formula=$PRECURSOR-$CHAIN-NC3H8Na	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=NL_Carboxy_Head+NL_Ketene-Head+0*NL_Carboxy+0*NL_Ketene+0*NL_Carboxy-Na+0*NL_Carboxy_Head_Na>0*NL_PChead_183	mandatory=true
Equation=1.5*NL_Carboxy_Head>NL_Carboxy		mandatory=true
Equation=1.8*NL_Carboxy_Head>NL_Carboxy_Head_Na	mandatory=true
Equation=NL_Carboxy_Head>NL_Ketene		mandatory=true

[POSITION]
!INTENSITIES
Equation=NL_Carboxy_Head[1]*0.8>NL_Carboxy_Head[2]	mandatory=false
Equation=NL_Carboxy[1]*0.8>NL_Carboxy[2]		mandatory=false