[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=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=PGhead_177		Formula=C3H7O5PNa		Charge=1	MSLevel=2	mandatory=false
Name=PGhead_195		Formula=C3H9NaO6P		Charge=1	MSLevel=2	mandatory=true
Name=NL_PGhead_154	Formula=$PRECURSOR-C3H7O5P	Charge=1	MSLevel=2	mandatory=false
Name=NL_PGhead_172	Formula=$PRECURSOR-C3H9O6P	Charge=1	MSLevel=2	mandatory=true
Name=NL_PGhead_194	Formula=$PRECURSOR-C3H8O6PNa	Charge=1	MSLevel=2	mandatory=false

!INTENSITIES
Equation=PGhead_195*2>Precursor		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_Glycerol	Formula=$PRECURSOR-$CHAIN-C3H6O2	Charge=1	MSLevel=2	mandatory=true

[POSITION]
!INTENSITIES
Equation=NL_Carboxy_Glycerol[2]*0.9>NL_Carboxy_Glycerol[1]	mandatory=true