BEGIN IONS
SPECTRUMID=161
NAME=Lipid A hepta-acyl C4'-mono-phosphoryl C1-mono-phosphoryl di-glucosamine [P-C12:0_(OH)/C12:0-C14:0_(OH)/C10:0_(OH)-C12:0_(OH)-C14:0_(OH)/C10:0-P]|L2D=PP/7/84/0/5
FORMULA=C96H179O27N2P2-
ADDUCT=[M-H]-
PEPMASS=1854.2170
COLLISION_ENERGY=
RTINMINUTES=13.90
CHARGE=1-
SOURCE_INSTRUMENT=MS:1002533
ION_SOURCE=
IONMODE=Negative
PI=Xueli Guan Lab
Num peaks=27
1854.217 100 # "[M-H]-"
1836.2065 4.06 # "[M-H]-H2O(dehydration)||[M-H]-C1Headgroup(-H2O)"
1774.2507 1.19 # "[M-H]-C1Headgroup(-HPO3)"
1756.2402 7.24 # "[M-H]-C1Headgroup(-H3PO4)"
1654.0394 6.9 # "[M-H]-C3'SecFA(acid)"
1638.0445 26.13 # "[M-H]-C3FA(acid)"
1620.0339 3.52 # "[M-H]-C1Headgroup(-H2O)-C3FA(acid)"
1558.0782 2.84 # "[M-H]-C1Headgroup(-HPO3)-C3FA(acid)"
1556.0625 5.96 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)"
1540.0676 5.96 # "[M-H]-C1Headgroup(-H3PO4)-C3FA(acid)"
1437.8669 4.86 # "[M-H]-C3'SecFA(acid)-C3FA(acid)"
1419.8563 2.44 # "[M-H]-C1Headgroup(-H2O)-C3'SecFA(acid)-C3FA(acid)"
1357.9005 5.82 # "[M-H]-C1Headgroup(-HPO3)-C3'SecFA(acid)-C3FA(acid)"
1339.89 6.63 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)"
1167.7436 4.32 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C2SecFA(acid)"
1159.7386 2.84 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C3'FA(ketene)"
1141.728 1.46 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C3'FA(acid)"
987.5922 1.73 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C2SecFA(acid)-C3'FA(ketene)"
969.5817 1.97 # "[M-H]-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C2SecFA(acid)-C3'FA(acid)"
876.5238 1.48 # "04A2-C3'SecFA(acid)"
836.5289 1.18 # "Y"
678.3618 2 # "04A2-C3'SecFA(acid)-C3'FA(acid)"
636.3513 1.06 # "B-C3'SecFA(acid)-C3'FA(ketene)||C-C3'SecFA(acid)-C3'FA(acid)"
176.9354 6.95 # "Pyrophosphate"
158.9248 28.23 # "Pyrophosphate*d"
96.9691 2.52 # "Phosphate"
78.9585 6.29 # "Phosphate*d"
END IONS