MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	KWAMDQVQFVBEAU-BOLFIALASA-N
molecular formula Create New Query Add to Query	C28H34O5
total exact mass Create New Query Add to Query	450.24062418799997
SMILES Create New Query Add to Query	O=C(OC1CC2C(C=CC(=O)C2(C)C)(C)C3CCC4(C(=CC(=O)C4C5=COC=C5)C13C)C)C
InChI Create New Query Add to Query	InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19?,20?,23-,24?,26-,27-,28-/m1/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C28H34O5
exact mass Create New Query Add to Query	450.2406242
retention time Create New Query Add to Query	5.262250399
spectrum entropy Create New Query Add to Query	2.718212604522705
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	2.718212560805653
normalized entropy Create New Query Add to Query	0.8444602117936476
precursor m/z Create New Query Add to Query	451.2479007
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	1.5368226619820844 ppm
mass error Create New Query Add to Query	-6.934879999676014E-4 Da