MassBank of North America

Rating: ★★☆☆☆

Name	Value
molecular formula Create New Query Add to Query	C65H106O6
total exact mass Create New Query Add to Query	982.798941112
SMILES Create New Query Add to Query	O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCC)COC(=O)CCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCCC
InChI Create New Query Add to Query	InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-34-35-36-37-38-41-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-40-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-23-20-17-14-11-8-5-2/h7,10-12,14-16,19-21,23-26,28-29,31-32,34-35,62H,4-6,8-9,13,17-18,22,27,30,33,36-61H2,1-3H3/b10-7-,14-11-,15-12-,19-16-,23-20-,24-21-,26-25-,29-28-,32-31-,35-34-
InChIKey Create New Query Add to Query	LNVBKWOSVTYOHB-DIAFFCPHSA-N

Name	Value
formula Create New Query Add to Query	C65H106O6
retention time Create New Query Add to Query	14.42
ccs Create New Query Add to Query	328.41
compound class Create New Query Add to Query	TG
origin Create New Query Add to Query	MSDIAL-TandemMassSpectralAtlas-VS69-Pos.msp
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	0.8280942283136074
normalized entropy Create New Query Add to Query	0.5973437182884072
precursor m/z Create New Query Add to Query	1000.83277
precursor type Create New Query Add to Query	[M+NH4]+
mass accuracy Create New Query Add to Query	4.7471587086503035 ppm
mass error Create New Query Add to Query	-0.004751112000008106 Da