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


[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=$PRECURSOR-C5H14NO4P	Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_205		Formula=$PRECURSOR-C5H13NO4PNa	Charge=1	MSLevel=2	mandatory=false
Name=NL_trimethylamine_59_iso	Formula=NL_trimethylamine_59-H	Charge=1	MSLevel=2	mandatory=other
Name=NL_PChead_183_iso		Formula=NL_PChead_183-H		Charge=1	MSLevel=2	mandatory=other
Name=PChead_184_wrong		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=Precursor*0.8>NL_trimethylamine_59	mandatory=true
Equation=2.5*(NL_trimethylamine_59+NL_PChead_183)>PChead_184_wrong	mandatory=true
Equation=NL_trimethylamine_59*0.3>NL_trimethylamine_59_iso		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