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

[HEAD]
!FRAGMENTS
Name=PChead_224		Formula=C7H15O5NP	Charge=1	MSLevel=2	mandatory=false
Name=PChead_242		Formula=C7H17O6NP	Charge=1	MSLevel=2	mandatory=false

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