[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=1%
SpectrumCoverage=20%
RetentionTimePostprocessing=true
MSIdentificationOrder=MSnOnly

[HEAD]
!FRAGMENTS
Name=NL_H2O		Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_183	Formula=$PRECURSOR-C5H14NO4P	Charge=1	MSLevel=2	mandatory=false
Name=NL_PChead_77	Formula=$PRECURSOR-C3H11NO	Charge=1	MSLevel=2	mandatory=false
Name=PChead_184		Formula=C5H15NO4P		Charge=1	MSLevel=2	mandatory=true
Name=PChead_166		Formula=C5H13NO3P		Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=PChead_184*0.8>NL_H2O		mandatory=true
Equation=PChead_184*0.8>PChead_166	mandatory=true
Equation=PChead_184>$BASEPEAK*0.3	mandatory=true
Equation=PChead_184*0.8>NL_PChead_183	mandatory=true


[CHAINS]
!FRAGMENTS
Name=NL_Ketene		Formula=$PRECURSOR-$CHAIN+H2O	Charge=1	MSLevel=2	mandatory=false
Name=NL_Carboxy		Formula=$PRECURSOR-$CHAIN	Charge=1	MSLevel=2	mandatory=false