[GENERAL]
AmountOfChains=1
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.01%
SpectrumCoverage=10%
RetentionTimePostprocessing=true
ClassSpecificMS1Cutoff=0.005


[HEAD]
!FRAGMENTS
Name=PChead_224		Formula=C7H15O5NP	Charge=1	MSLevel=2	mandatory=false
Name=Precursor		Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=other

!INTENSITIES
Equation=PChead_224*2>Precursor	mandatory=true


[CHAINS]
!FRAGMENTS
Name=Carboxy		Formula=$CHAIN-H	Charge=1	MSLevel=2	mandatory=true

!INTENSITIES
Equation=Carboxy>0.6*$BASEPEAK		mandatory=true