MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	UQNONRHPSCIIJO-SKVKQCJPSA-N
molecular formula Create New Query Add to Query	C15H18O3
total exact mass Create New Query Add to Query	246.12559443599997
SMILES Create New Query Add to Query	O=C1OC2CC(C)C3C(=C(C(=O)C3)C)CC2C1=C
InChI Create New Query Add to Query	InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14+/m0/s1

Name	Value
origin Create New Query Add to Query	hcd_lib.msp
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C15H18O3
exact mass Create New Query Add to Query	246.1255944
retention time Create New Query Add to Query	3.474001502
spectrum entropy Create New Query Add to Query	1.852471113204956
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.852471021328393
normalized entropy Create New Query Add to Query	0.6409109887915471
precursor m/z Create New Query Add to Query	245.118318
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.001778732805445563 ppm
mass error Create New Query Add to Query	-4.359999934422376E-7 Da