[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.5%
ChainCutoff=50%
RetentionTimePostprocessing=true
SpectrumCoverage=10%

[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=PChead_147			Formula=C2H5O4PNa		Charge=1	MSLevel=2	mandatory=true
Name=NL_trimethylamine_59	Formula=$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=PChead_184_wrong		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=NL_PChead_183+NL_PChead_205+PChead_147*0>0*$BASEPEAK		mandatory=true
Equation=2.5*(PChead_147+NL_trimethylamine_59)>PChead_184_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_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

!INTENSITIES
Equation=NL_Carboxy+NL_Carboxy_Head+NL_Carboxy-Na+NL_Ketene-Head*0>0*$BASEPEAK	mandatory=true


