BEGIN IONS
SPECTRUMID=211
NAME=Lipid A hexa-acyl C4'-mono-phosphoryl  di-glucosamine [P-C14:0_(OH)/C12:0-C14:0_(OH)/C12:0-C14:0_(OH)-C14:0_(OH)/NIL-NIL]|L2D=P/6/80/0/4
FORMULA=C92H172O22N2P-
ADDUCT=[M-H]-
PEPMASS=1688.2139
COLLISION_ENERGY=
RTINMINUTES=11.10
CHARGE=1-
SOURCE_INSTRUMENT=MS:1002533
ION_SOURCE=
IONMODE=Negative
PI=Xueli Guan Lab
Num peaks=18
1688.2139 36.47 # "[M-H]-"
1488.0363 43.7 # "[M-H]-C3'SecFA(acid)"
1444.0101 28.81 # "[M-H]-C3FA(acid)"
1243.8325 64.84 # "[M-H]-C3'SecFA(acid)-C3FA(acid)"
1202.8059 11.5 # "02A2-C3'SecFA(acid)"
1035.6498 49.95 # "[M-H]-C3'SecFA(acid)-C3FA(acid)-C3'FA(ketene)"
1017.6392 100 # "[M-H]-C3'SecFA(acid)-C3FA(acid)-C3'FA(acid)"
994.6232 11.5 # "02A2-C3'SecFA(acid)-C3'FA(ketene)"
976.6126 28.81 # "02A2-C3'SecFA(acid)-C3'FA(acid)"
916.5915 11.5 # "04A2-C3'SecFA(acid)"
817.4616 31.22 # "[M-H]-C3'SecFA(acid)-C3FA(acid)-C3'FA(acid)-C2'SecFA(acid)"
708.4088 37.46 # "04A2-C3'SecFA(acid)-C3'FA(ketene)"
690.3982 61.56 # "04A2-C3'SecFA(acid)-C3'FA(acid)"
648.3877 11.5 # "B-C3'SecFA(acid)-C3'FA(ketene)||C-C3'SecFA(acid)-C3'FA(acid)"
490.2206 48.08 # "04A2-C3'SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)"
350.2331 11.5 # "B-C3'SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)-C4'Headgroup(-HPO3)||C-C3'SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)-C4'Headgroup(-H3PO4)"
96.9691 17.31 # "Phosphate"
78.9585 23.11 # "Phosphate*d"
END IONS