MassBank of North America

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Name	Value
molecular formula Create New Query Add to Query	C56H94O9
total exact mass Create New Query Add to Query	910.689784588
SMILES Create New Query Add to Query	O=C(OC(COCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCCCCCC
InChI Create New Query Add to Query	InChI=1S/C56H94O9/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-62-48-50(49-63-56-55(61)54(60)53(59)51(47-57)65-56)64-52(58)45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-24,26-27,30,32,50-51,53-57,59-61H,3-4,6,8-10,12,15,18,21,25,28-29,31,33-49H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-20-,24-23-,27-26-,32-30-
InChIKey Create New Query Add to Query	JQXDUQFJSLIWES-IFTWPHCVSA-N

Name	Value
formula Create New Query Add to Query	C56H94O9
retention time Create New Query Add to Query	13.16
ccs Create New Query Add to Query	310.56
compound class Create New Query Add to Query	EtherMGDG
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	0.6007849410078968
normalized entropy Create New Query Add to Query	0.5468580200720781
precursor m/z Create New Query Add to Query	969.70364
precursor type Create New Query Add to Query	[M+HAc-H]-