MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	XWHQCPICYIBGNB-XLLMKQGQSA-N
molecular formula Create New Query Add to Query	C17H20O5
total exact mass Create New Query Add to Query	304.13107374
SMILES Create New Query Add to Query	O=C(OC1C2=C(OC=C2C)C(=O)C34OC4CCC(C)C13C)C
InChI Create New Query Add to Query	InChI=1S/C17H20O5/c1-8-7-20-13-12(8)15(21-10(3)18)16(4)9(2)5-6-11-17(16,22-11)14(13)19/h7,9,11,15H,5-6H2,1-4H3/t9-,11+,15+,16-,17-/m0/s1

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C17H20O5
exact mass Create New Query Add to Query	304.1310737
retention time Create New Query Add to Query	4.525630505
spectrum entropy Create New Query Add to Query	2.7795872688293457
origin Create New Query Add to Query	hcd_lib.msp
spectral entropy Create New Query Add to Query	2.7795873104035187
normalized entropy Create New Query Add to Query	0.874619329559688
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	305.1383502
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.2728706487779746 ppm
mass error Create New Query Add to Query	-6.935399999861147E-4 Da