MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C21H28O7
total exact mass Create New Query Add to Query	392.183503236
SMILES Create New Query Add to Query	O=CC1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(C)CC)C1OC)CO
InChI Create New Query Add to Query	InChI=1S/C21H28O7/c1-5-12(2)20(24)28-19-17-13(3)21(25)27-16(17)9-14(10-22)7-6-8-15(11-23)18(19)26-4/h8-9,11-12,16-19,22H,3,5-7,10H2,1-2,4H3
InChIKey Create New Query Add to Query	LOFBWESEBFUNJU-UHFFFAOYSA-N

Name	Value
retention time Create New Query Add to Query	1.7742206708699952
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C21H28O7
exact mass Create New Query Add to Query	392.1835032
spectrum entropy Create New Query Add to Query	4.8230877
origin Create New Query Add to Query	ead_pfp.msp
spectral entropy Create New Query Add to Query	4.634767099246693
normalized entropy Create New Query Add to Query	0.7983909287318015
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	415.1727212
precursor type Create New Query Add to Query	[M+Na]+
mass accuracy Create New Query Add to Query	1.3296538327281737 ppm
mass error Create New Query Add to Query	-5.520359999877655E-4 Da