MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	RAZHULSADOGMPF-BQYQJAHWSA-N
molecular formula Create New Query Add to Query	C16H22O8
total exact mass Create New Query Add to Query	342.13146766399996
SMILES Create New Query Add to Query	O=C1OC(CC=C1)C(O)C(O)C=CC(OC(=O)C)C(OC(=O)C)C
InChI Create New Query Add to Query	InChI=1S/C16H22O8/c1-9(22-10(2)17)13(23-11(3)18)8-7-12(19)16(21)14-5-4-6-15(20)24-14/h4,6-9,12-14,16,19,21H,5H2,1-3H3/b8-7+

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C16H22O8
exact mass Create New Query Add to Query	342.1314677
retention time Create New Query Add to Query	2.886409554
spectrum entropy Create New Query Add to Query	2.04369854927063
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	2.0436984498958246
normalized entropy Create New Query Add to Query	0.6517946802495408
precursor m/z Create New Query Add to Query	365.1206857
precursor type Create New Query Add to Query	[M+Na]+
mass accuracy Create New Query Add to Query	1.5117302896579943 ppm
mass error Create New Query Add to Query	-5.519639999533865E-4 Da