MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	XJMPAUZQVRGFRE-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C17H24O11
total exact mass Create New Query Add to Query	404.131861588
SMILES Create New Query Add to Query	O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)CO
InChI Create New Query Add to Query	InChI=1S/C17H24O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h2-3,5,7,9-13,15-16,18-22,24H,4,6H2,1H3

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C17H24O11
exact mass Create New Query Add to Query	404.1318616
retention time Create New Query Add to Query	1.851230099
spectrum entropy Create New Query Add to Query	2.475493669509888
origin Create New Query Add to Query	hcd_lib.msp
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	2.475493802493531
normalized entropy Create New Query Add to Query	0.8407353047589168
precursor m/z Create New Query Add to Query	403.1245851
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0012105439112192506 ppm
mass error Create New Query Add to Query	-4.880000119555916E-7 Da