MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C64H123NO8
total exact mass Create New Query Add to Query	1033.924869896
SMILES Create New Query Add to Query	O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
InChI Create New Query Add to Query	InChI=1S/C64H123NO8/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-60(68)65-57(56-72-64-63(71)62(70)61(69)59(55-66)73-64)58(67)53-51-49-47-45-43-41-39-37-35-22-20-18-16-14-12-10-8-6-4-2/h21,23,51,53,57-59,61-64,66-67,69-71H,3-20,22,24-50,52,54-56H2,1-2H3,(H,65,68)/b23-21-,53-51+
InChIKey Create New Query Add to Query	VWUVAGJVLWUWEM-LQRCYUGCSA-N

Name	Value
formula Create New Query Add to Query	C64H123NO8
retention time Create New Query Add to Query	14.43
ccs Create New Query Add to Query	338.47
compound class Create New Query Add to Query	HexCer_NS
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	1.5437067030889962
normalized entropy Create New Query Add to Query	0.8615591152723598
precursor m/z Create New Query Add to Query	1032.91759
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0037718400679712144 ppm
mass error Create New Query Add to Query	-3.895999952874263E-6 Da