BEGIN IONS
SPECTRUMID=135
NAME=Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C14:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/C16:0-P]|L2D=PP/7/100/0/4
FORMULA=C112H211O26N2P2-
ADDUCT=[M-H]-
PEPMASS=2062.4725
COLLISION_ENERGY=
RTINMINUTES=13.30
CHARGE=1-
SOURCE_INSTRUMENT=MS:1002533
ION_SOURCE=
IONMODE=Negative
PI=Xueli Guan Lab
Num peaks=31
2062.4725 37.66 # "[M-H]-"
2044.462 5.49 # "[M-H]-H2O(dehydration)||[M-H]-C1Headgroup(-H2O)"
1982.5062 2.73 # "[M-H]-C1Headgroup(-HPO3)"
1964.4956 5.49 # "[M-H]-C1Headgroup(-H3PO4)"
1834.2636 10.97 # "[M-H]-C3'SecFA(acid)"
1818.2687 15.41 # "[M-H]-C3FA(acid)"
1816.253 5.49 # "[M-H]-C1Headgroup(-H2O)-C3'SecFA(acid)"
1800.2581 2.73 # "[M-H]-C1Headgroup(-H2O)-C3FA(acid)"
1754.2973 2.73 # "[M-H]-C1Headgroup(-HPO3)-C3'SecFA(acid)"
1738.3024 5.49 # "[M-H]-C1Headgroup(-HPO3)-C3FA(acid)"
1736.2867 10.97 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)"
1720.2918 5.49 # "[M-H]-C1Headgroup(-H3PO4)-C3FA(acid)"
1590.0598 10.97 # "[M-H]-C3'SecFA(acid)-C3FA(acid)"
1572.0492 5.49 # "[M-H]-C1Headgroup(-H2O)-C3'SecFA(acid)-C3FA(acid)"
1510.0934 13.7 # "[M-H]-C1Headgroup(-HPO3)-C3'SecFA(acid)-C3FA(acid)"
1492.0829 5.49 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)"
1283.9002 10.97 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C3'FA(ketene)"
1265.8896 5.49 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C3'FA(acid)"
1235.8426 10.97 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C2SecFA(acid)"
1027.6599 5.49 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C2SecFA(acid)-C3'FA(ketene)"
781.4404 5.49 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C2SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)"
736.4401 5.49 # "04A2-C3'SecFA(acid)-C3'FA(ketene)"
718.4295 5.49 # "04A2-C3'SecFA(acid)-C3'FA(acid)"
676.419 8.22 # "B-C3'SecFA(acid)-C3'FA(ketene)||C-C3'SecFA(acid)-C3'FA(acid)"
658.4084 5.49 # "B-C3'SecFA(acid)-C3'FA(acid)"
490.2206 5.49 # "04A2-C3'SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)"
430.1995 5.49 # "B-C3'SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)||C-C3'SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)-C4'Headgroup(-H2O)"
176.9354 10.97 # "Pyrophosphate"
158.9248 100 # "Pyrophosphate*d"
96.9691 5.49 # "Phosphate"
78.9585 14.72 # "Phosphate*d"
END IONS