[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=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=M-H2O			Formula=$PRECURSOR-H2O		Charge=1	MSLevel=2	mandatory=false
Name=M-B1  		 	Formula=$PRECURSOR-C6H10O5	Charge=1	MSLevel=2	mandatory=false
Name=M-B2  		 	Formula=$PRECURSOR-C12H21NO9	Charge=1	MSLevel=2	mandatory=false
Name=C4PO3_B2_437		Formula=C12H22O15P		Charge=1	MSLevel=2	mandatory=false
Name=C4PO3			Formula=C24H41NO24P		Charge=1	MSLevel=2	mandatory=false
Name=C4PO3-B1			Formula=C18H33NO19P		Charge=1	MSLevel=2	mandatory=false
Name=Z0				Formula=$PRECURSOR-C24H42NO24P	Charge=1	MSLevel=2	mandatory=false
Name=Z0mH2O			Formula=$PRECURSOR-C24H44NO25P	Charge=1	MSLevel=2	mandatory=false
Name=B1 			Formula=C6H11O5			Charge=1	MSLevel=2	mandatory=false
Name=B1-B2 			Formula=C6H12NO4		Charge=1	MSLevel=2	mandatory=false
Name=B2_NH 			Formula=C12H22NO9		Charge=1	MSLevel=2	mandatory=false
Name=IP				Formula=C6H14O9P		Charge=1	MSLevel=2	mandatory=false
Name=C4PO3_B2_MS3   		Formula=C12H22O15P		Charge=1	MSLevel=3	mandatory=false
Name=C4PO3_MS3       		Formula=C24H41NO24P		Charge=1	MSLevel=3	mandatory=false
Name=Z0_MS3			Formula=$PRECURSOR-C24H42NO24P	Charge=1	MSLevel=3	mandatory=false
Name=Z0mH2O_MS3			Formula=$PRECURSOR-C24H44NO25P	Charge=1	MSLevel=3	mandatory=false
Name=IP_MS3 			Formula=C6H14O9P		Charge=1	MSLevel=3	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=$LCB-H5O3			Charge=1	MSLevel=2	mandatory=false	oh=3
Name=W_MS3		Formula=$LCB-HO				Charge=1	MSLevel=3	mandatory=false	oh=1,2,3
Name=W-H2O_MS3		Formula=$LCB-H3O2			Charge=1	MSLevel=3	mandatory=false	oh=2,3
Name=W-2H2O_MS3		Formula=$LCB-H5O3			Charge=1	MSLevel=3	mandatory=false	oh=3
Name=V			Formula=$CHAIN+H2N			Charge=1	MSLevel=2	mandatory=false
Name=V_2		Formula=$CHAIN+HN			Charge=1	MSLevel=2	mandatory=false
Name=V_MS3		Formula=$CHAIN+H2N			Charge=1	MSLevel=3	mandatory=false
Name=V_MS3_2		Formula=$CHAIN+HN			Charge=1	MSLevel=3	mandatory=false
