BEGIN IONS
SPECTRUMID=27
NAME=Lipid A tri-acyl C4'-di-phosphoryl  di-glucosamine [PP-NIL/NIL-C14:0_(OH)/C10:0-NIL-C14:0_(OH)/NIL-NIL]|L2D=PP/3/38/0/2
FORMULA=C50H95O20N2P2-
ADDUCT=[M-H]-
PEPMASS=1105.5953
COLLISION_ENERGY=
RTINMINUTES=16.40
CHARGE=1-
SOURCE_INSTRUMENT=MS:1002533
ION_SOURCE=
IONMODE=Negative
PI=Xueli Guan Lab
Num peaks=20
1105.5953 51.77 # "[M-H]-"
1087.5848 13.88 # "[M-H]-H2O(dehydration)||[M-H]-C4'Headgroup(-H2O)"
1025.629 1.3 # "[M-H]-C4'Headgroup(-HPO3)"
1007.6184 43.21 # "[M-H]-C4'Headgroup(-H3PO4)"
835.4721 4.22 # "[M-H]-C4'Headgroup(-H3PO4)-C2'SecFA(acid)"
820.365 7.32 # "02A2"
802.3544 5.76 # "02A2-H2O(dehydration)||02A2-C4'Headgroup(-H2O)"
742.3332 1.54 # "04A2-H2O(dehydration)||04A2-C4'Headgroup(-H2O)"
740.3986 5.44 # "02A2-C4'Headgroup(-HPO3)"
722.388 11.48 # "02A2-C4'Headgroup(-H3PO4)"
700.3227 1.18 # "B||C-H2O(dehydration)"
680.3775 6.88 # "04A2-C4'Headgroup(-HPO3)"
662.3669 9.7 # "04A2-C4'Headgroup(-H3PO4)"
550.2417 2.08 # "02A2-C4'Headgroup(-H3PO4)-C2'SecFA(acid)"
490.2206 1.54 # "04A2-C4'Headgroup(-H3PO4)-C2'SecFA(acid)"
448.21 2.62 # "B-C2'SecFA(acid)-C4'Headgroup(-HPO3)||C-C2'SecFA(acid)-C4'Headgroup(-H3PO4)"
176.9354 15.84 # "Pyrophosphate"
158.9248 100 # "Pyrophosphate*d"
96.9691 17.98 # "Phosphate"
78.9585 45.63 # "Phosphate*d"
END IONS