MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	GTZCVFVGUGFEME-IWQZZHSRSA-N
molecular formula Create New Query Add to Query	C6H6O6
total exact mass Create New Query Add to Query	174.016437912
SMILES Create New Query Add to Query	O=C(O)C=C(C(=O)O)CC(=O)O
InChI Create New Query Add to Query	InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C6H6O6
exact mass Create New Query Add to Query	174.0164379
retention time Create New Query Add to Query	0.249912451
spectrum entropy Create New Query Add to Query	1.6329748630523682
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	1.6329750822606564
normalized entropy Create New Query Add to Query	0.6366500287852735
precursor m/z Create New Query Add to Query	173.0091614
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.002959380771379492 ppm
mass error Create New Query Add to Query	-5.119999855196511E-7 Da