MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	HILBWEPXZDMOAE-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C17H18O8
total exact mass Create New Query Add to Query	350.10016753599996
SMILES Create New Query Add to Query	O=C(OC)CC1OC(C)C2(O)C(=O)C=3C=CC=C(O)C3C(=O)C2(O)C1
InChI Create New Query Add to Query	InChI=1S/C17H18O8/c1-8-17(23)14(20)10-4-3-5-11(18)13(10)15(21)16(17,22)7-9(25-8)6-12(19)24-2/h3-5,8-9,18,22-23H,6-7H2,1-2H3

Name	Value
normalized entropy Create New Query Add to Query	0.8457233974887569
precursor m/z Create New Query Add to Query	349.0928911
precursor type Create New Query Add to Query	[M-H]-
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C17H18O8
exact mass Create New Query Add to Query	350.1001675
retention time Create New Query Add to Query	3.418973945
spectrum entropy Create New Query Add to Query	2.533560514450073
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	2.533560876356799
mass accuracy Create New Query Add to Query	0.0012489512234648815 ppm
mass error Create New Query Add to Query	-4.359999934422376E-7 Da