MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	ILEDHMVFQOCEJU-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C19H30O4
total exact mass Create New Query Add to Query	322.21440944
SMILES Create New Query Add to Query	O=C(OC1CCC23CC1(C)CCC3C(C)(C)CC2OC(=O)C)C
InChI Create New Query Add to Query	InChI=1S/C19H30O4/c1-12(20)22-15-7-9-19-11-18(15,5)8-6-14(19)17(3,4)10-16(19)23-13(2)21/h14-16H,6-11H2,1-5H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C19H30O4
exact mass Create New Query Add to Query	322.2144094
retention time Create New Query Add to Query	6.132346326
spectrum entropy Create New Query Add to Query	1.4761561155319214
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	1.4761560156587357
normalized entropy Create New Query Add to Query	0.5755107840100393
precursor m/z Create New Query Add to Query	340.2482324
precursor type Create New Query Add to Query	[M+NH4]+
mass accuracy Create New Query Add to Query	13.981086592164827 ppm
mass error Create New Query Add to Query	-0.004757040000015422 Da