[GENERAL]
AmountOfChains=2
ChainLibrary=fattyAcidChains.xlsx
CAtomsFromName=\D*(\d+):\d+
DoubleBondsFromName=\D*\d+:(\d+)


[HEAD]
!FRAGMENTS
Name=Precursor	Formula=$PRECURSOR	Charge=1	MSLevel=2	mandatory=false
Name=NL_NH3_Hex	Formula=$PRECURSOR-C6H13O5N	Charge=1	MSLevel=2	mandatory=false
Name=NL_NH3_H20_Hex	Formula=$PRECURSOR-C6H15O6N	Charge=1	MSLevel=2	mandatory=false
Name=NL_NH3_Hex2	Formula=$PRECURSOR-C12H23O10N	Charge=1	MSLevel=2	mandatory=false
Name=NL_NH3_H20_Hex2	Formula=$PRECURSOR-C12H25O11N	Charge=1	MSLevel=2	mandatory=true

[CHAINS]
!FRAGMENTS
Name=CarboxyGlycerol_H20	Formula=$CHAIN+C3H5O	Charge=1	MSLevel=2	mandatory=true
Name=Carboxy_H2O_OH	Formula=$CHAIN-H3O2	Charge=1	MSLevel=2	mandatory=false
Name=Carboxy_OH	Formula=$CHAIN-OH	Charge=1	MSLevel=2	mandatory=false

