[GENERAL]
AmountOfChains=2
AmountOfLCBs=1
ChainLibrary=fattyAcidChains.xlsx
LCBLibrary=dLCB.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)
BasePeakCutoff=0.05%
ChainCutoff=10%
SpectrumCoverage=10%
FaHydroxylationRange=0-1
LcbHydroxylationRange=2-3
RetentionTimePostprocessing=true
SingleChainIdentification=true

[HEAD]
!FRAGMENTS
Name=Precursor			Formula=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3_B1_437		Formula=C12H22O15P		Charge=1	MSLevel=2	mandatory=false
Name=C3PO3_amine		Formula=C18H33NO19P		Charge=1	MSLevel=2	mandatory=false
Name=Z0				Formula=$PRECURSOR-C18H32NO19P	Charge=1	MSLevel=2	mandatory=false
Name=Z0mH2O			Formula=$PRECURSOR-C18H34NO20P	Charge=1	MSLevel=2	mandatory=false
Name=B2_amine			Formula=C12H20NO10		Charge=1	MSLevel=2	mandatory=false
Name=B1_amine			Formula=C6H12NO4		Charge=1	MSLevel=2	mandatory=false
Name=C2_amine			Formula=C12H22NO11		Charge=1	MSLevel=2	mandatory=false
Name=IP				Formula=C6H14O9P		Charge=1	MSLevel=2	mandatory=false




[CHAINS]
!FRAGMENTS
Name=W			Formula=$LCB-HO				Charge=1	MSLevel=2	mandatory=false	oh=1,2,3
Name=W-H2O		Formula=$LCB-H3O2			Charge=1	MSLevel=2	mandatory=false	oh=2,3
Name=W-2H2O		Formula=$LCB-H5O3			Charge=1	MSLevel=2	mandatory=false	oh=3