MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	QXAYVHFIMKYRKA-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C20H26O4
total exact mass Create New Query Add to Query	330.183109312
SMILES Create New Query Add to Query	O=C1OCC23C1=CC(O)CC2C(C)(CCC4=COC=C4)C(C)CC3
InChI Create New Query Add to Query	InChI=1S/C20H26O4/c1-13-3-7-20-12-24-18(22)16(20)9-15(21)10-17(20)19(13,2)6-4-14-5-8-23-11-14/h5,8-9,11,13,15,17,21H,3-4,6-7,10,12H2,1-2H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C20H26O4
exact mass Create New Query Add to Query	330.1831093
retention time Create New Query Add to Query	4.235149307
spectrum entropy Create New Query Add to Query	2.954672336578369
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	2.954672398983597
normalized entropy Create New Query Add to Query	0.8867019986201997
precursor m/z Create New Query Add to Query	313.1798211
precursor type Create New Query Add to Query	[M-H2O+H]+
mass accuracy Create New Query Add to Query	13.033368451616663 ppm
mass error Create New Query Add to Query	0.004081788000007691 Da