MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	BOZILQFLQYBIIY-PJXHJHJJSA-N
molecular formula Create New Query Add to Query	C23H36O6
total exact mass Create New Query Add to Query	408.251188872
SMILES Create New Query Add to Query	O=C(O)CC(O)CC(O)CCC1C(C=CC2=CCCC(OC(=O)C(C)CC)C21)C
InChI Create New Query Add to Query	InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14?,15-,17+,18+,19-,20-,22-/m0/s1

Name	Value
ms level Create New Query Add to Query	MS2
mass error Create New Query Add to Query	0.004081827999982579 Da
formula Create New Query Add to Query	C23H36O6
exact mass Create New Query Add to Query	408.2511889
retention time Create New Query Add to Query	5.549619571
spectrum entropy Create New Query Add to Query	2.361013889312744
origin Create New Query Add to Query	hcd_lib.msp
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	2.3610139657076683
normalized entropy Create New Query Add to Query	0.8515557849490095
precursor m/z Create New Query Add to Query	391.2479007
precursor type Create New Query Add to Query	[M-H2O+H]+
mass accuracy Create New Query Add to Query	10.432843199106216 ppm