[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=$PRECURSOR		Charge=1	MSLevel=2	mandatory=false
Name=Precursor-B1		Formula=$PRECURSOR-C6H9O5	Charge=1	MSLevel=2	mandatory=false
Name=C5PO3      		Formula=C30H53NO29P		Charge=1	MSLevel=2	mandatory=false
Name=C5PO3-B1      		Formula=C24H43NO24P		Charge=1	MSLevel=2	mandatory=false
Name=C5PO3-B1-H2O       	Formula=C24H41NO23P		Charge=1	MSLevel=2	mandatory=false
Name=C5PO3-B1-H2O_MS3      	Formula=C24H41NO23P		Charge=1	MSLevel=3	mandatory=false
Name=B2 			Formula=C12H21O10		Charge=1	MSLevel=2	mandatory=false
Name=B1 			Formula=C6H11O5			Charge=1	MSLevel=2	mandatory=false
Name=C2 			Formula=C12H23O11		Charge=1	MSLevel=2	mandatory=false
Name=IP				Formula=C6H14O9P		Charge=1	MSLevel=2	mandatory=false
Name=IP_MS3			Formula=C6H14O9P		Charge=1	MSLevel=3	mandatory=false
Name=Z0				Formula=$PRECURSOR-C30H52NO29P	Charge=1	MSLevel=2	mandatory=false
Name=Z0_H20			Formula=$PRECURSOR-C30H54NO30P	Charge=1	MSLevel=2	mandatory=false
Name=B3_amine                   Formula=C18H32NO14              Charge=1        MSLevel=2       mandatory=false
Name=C5PO3-B1-B2                Formula=C18H33NO19P             Charge=1        MSLevel=2       mandatory=false
Name=C5PO3-B1-B2-B3             Formula=C12H22O15P              Charge=1        MSLevel=2       mandatory=false
Name=C5PO3-B1-B2-B3_MS3         Formula=C12H22O15P              Charge=1        MSLevel=3       mandatory=false
Name=B3_amine-B1                Formula=C12H22NO9               Charge=1        MSLevel=2       mandatory=false
Name=B3_amine-B1_MS3            Formula=C12H22NO9               Charge=1        MSLevel=3       mandatory=false
Name=B3_amine-B1-H2O            Formula=C12H20NO8               Charge=1        MSLevel=2       mandatory=false
Name=B3_amine-B1-H2O_MS3        Formula=C12H20NO8               Charge=1        MSLevel=3       mandatory=false
Name=B3_amine-B1-2H2O_MS3       Formula=C12H18NO7               Charge=1        MSLevel=3       mandatory=false
Name=C5PO3-B1-B2_MS3            Formula=C18H33NO19P             Charge=1        MSLevel=3       mandatory=false
Name=B3amine-B2-B1		Formula=C6H12NO4		Charge=1	MSLevel=2	mandatory=false
Name=B3amine-B2-B1_MS3		Formula=C6H12NO4		Charge=1	MSLevel=3	mandatory=false
Name=Z0_MS3			Formula=$PRECURSOR-C30H52NO29P	Charge=1	MSLevel=3	mandatory=false
Name=Z0_H20_MS3			Formula=$PRECURSOR-C30H54NO30P	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