MassBank of North America

Rating: ★★☆☆☆

Name	Value
molecular formula Create New Query Add to Query	C67H120O6
total exact mass Create New Query Add to Query	1020.90849156
SMILES Create New Query Add to Query	O=C(OCC(OC(=O)CC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChI Create New Query Add to Query	InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,40,46,49,55,58,64H,4-7,9-10,12-16,18-19,21-25,27-39,41-45,47-48,50-54,56-57,59-63H2,1-3H3/b11-8-,20-17-,40-26-,49-46-,58-55-
InChIKey Create New Query Add to Query	GVFZMQWPISTCMZ-VEOYUWNXSA-N

Name	Value
formula Create New Query Add to Query	C67H120O6
retention time Create New Query Add to Query	16.15
ccs Create New Query Add to Query	339.71
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	1.2681666889799712
normalized entropy Create New Query Add to Query	0.7879562667080501
precursor m/z Create New Query Add to Query	1038.94232
precursor type Create New Query Add to Query	[M+NH4]+
mass accuracy Create New Query Add to Query	4.5734588999430565 ppm
mass error Create New Query Add to Query	-0.004751559999931487 Da