MassBank of North America

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Name	Value
molecular formula Create New Query Add to Query	C58H103NO13
total exact mass Create New Query Add to Query	1021.742942356
SMILES Create New Query Add to Query	O=C(NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C=CCCC=CCCC=CCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCC
InChI Create New Query Add to Query	InChI=1S/C58H103NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-47(62)46(59-50(63)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)45-69-57-55(68)53(66)56(49(44-61)71-57)72-58-54(67)52(65)51(64)48(43-60)70-58/h8,10,14,16,26-27,31,33,39,41,46-49,51-58,60-62,64-68H,3-7,9,11-13,15,17-25,28-30,32,34-38,40,42-45H2,1-2H3,(H,59,63)/b10-8-,16-14-,27-26+,33-31+,41-39+
InChIKey Create New Query Add to Query	PUEMHDPOEDVHGZ-GSBHXJAJSA-N

Name	Value
formula Create New Query Add to Query	C58H103NO13
retention time Create New Query Add to Query	11.1
compound class Create New Query Add to Query	Hex2Cer
origin Create New Query Add to Query	MSDIAL-TandemMassSpectralAtlas-VS69-Neg.msp
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.0079128973201528
normalized entropy Create New Query Add to Query	0.5625268986324334
precursor m/z Create New Query Add to Query	1080.7568
precursor type Create New Query Add to Query	[M+HAc-H]-