BEGIN IONS
SPECTRUMID=152
NAME=Lipid A hexa-acyl C4'-mono-phosphoryl-aminoarabinose C1-mono-phosphoryl-aminoarabinose di-glucosamine [PAra4N-C13:0_(OH)/C14:0-C14:0_(OH)/C14:0-C14:0_(OH)-C14:0_(OH)/NIL-PAra4N]|L2D=PAra4NPAra4N/6/83/0/4
FORMULA=C105H197O31N4P2-
ADDUCT=[M-H]-
PEPMASS=2072.3437
COLLISION_ENERGY=
RTINMINUTES=12.50
CHARGE=1-
SOURCE_INSTRUMENT=MS:1002533
ION_SOURCE=
IONMODE=Negative
PI=Xueli Guan Lab
Num peaks=29
1810.2272 100 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)"
1792.2166 6.79 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N)||[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H2O)"
1730.2609 5.57 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-HPO3)"
1712.2503 16.91 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H3PO4)"
1582.0183 16.91 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C3'SecFA(acid)"
1566.0234 43.48 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C3FA(acid)"
1548.0128 7.48 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H2O)-C3FA(acid)"
1502.052 5.09 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-HPO3)-C3'SecFA(acid)"
1486.057 7.95 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-HPO3)-C3FA(acid)"
1484.0414 19.83 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H3PO4)-C3'SecFA(acid)"
1468.0465 21 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H3PO4)-C3FA(acid)"
1337.8144 12.78 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C3'SecFA(acid)-C3FA(acid)"
1289.8743 4.83 # "04A2"
1271.8638 14.95 # "04A2-H2O(dehydration)"
1257.8481 25.82 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-HPO3)-C3'SecFA(acid)-C3FA(acid)"
1239.8376 17.13 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)"
1045.6705 11.82 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C3'FA(ketene)"
1027.6599 6.26 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C3'FA(acid)"
799.451 3.87 # "[M-H]-C4'Headgroup(-Ara4N*d)-C1Headgroup(-Ara4N*d)-C1Headgroup(-H3PO4)-C3'SecFA(acid)-C3FA(acid)-C3'FA(acid)-C2'SecFA(acid)"
736.4401 3.87 # "04A2-C4'Headgroup(-Ara4N*d)-C3'SecFA(acid)-C3'FA(ketene)"
718.4295 5.57 # "04A2-C4'Headgroup(-Ara4N*d)-C3'SecFA(acid)-C3'FA(acid)"
710.4244 4.08 # "Y-C1Headgroup(-Ara4N*d)"
466.2206 3.87 # "Y-C1Headgroup(-Ara4N*d)-C3FA(acid)"
448.21 3.87 # "C-C3'SecFA(acid)-C3'FA(acid)-C2'SecFA(acid)-C4'Headgroup(-Ara4N*d)||Y-C1Headgroup(-Ara4N*d)-C1Headgroup(-H2O)-C3FA(acid)"
210.0167 16.44 # "P+Ara4N*d"
176.9354 14 # "Pyrophosphate"
158.9248 46.87 # "Pyrophosphate*d"
96.9691 17.87 # "Phosphate"
78.9585 19.09 # "Phosphate*d"
END IONS