[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.02%
ChainCutoff=50%
RetentionTimePostprocessing=true
SpectrumCoverage=10%


[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=$PRECURSOR-C5H14NO4P	Charge=1	MSLevel=2	mandatory=false
Name=NL_trimethylamine_59_iso	Formula=NL_trimethylamine_59-H	Charge=1	MSLevel=2	mandatory=other
Name=NL_PChead_183_iso		Formula=NL_PChead_183-H		Charge=1	MSLevel=2	mandatory=other
Name=PChead_184_wrong		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other
Name=NL_PEhead_wrong		Formula=$PRECURSOR-C2H8NO4P	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=Precursor>0.9*$BASEPEAK				mandatory=true
Equation=NL_trimethylamine_59>0.005*$BASEPEAK			mandatory=true
Equation=NL_trimethylamine_59*0.7>NL_PChead_183			mandatory=true
Equation=NL_trimethylamine_59_iso<0.005*$BASEPEAK		mandatory=true
Equation=NL_PChead_183_iso<0.005*$BASEPEAK			mandatory=true
Equation=NL_trimethylamine_59+NL_PChead_183>Precursor*0.005	mandatory=true
Equation=2.5*NL_PChead_183>PChead_184_wrong			mandatory=true
Equation=NL_trimethylamine_59*2>NL_PEhead_wrong			mandatory=true

