MassBank of North America

Rating: ★★★☆☆

Name	Value
InChIKey Create New Query Add to Query	NULZZCUABWZIRV-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C15H10O7
total exact mass Create New Query Add to Query	302.04265266
SMILES Create New Query Add to Query	O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C(O)=CC=CC3O
InChI Create New Query Add to Query	InChI=1S/C15H10O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,16-19,21H

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C15H10O7
exact mass Create New Query Add to Query	302.0426527
retention time Create New Query Add to Query	2.642159901
spectrum entropy Create New Query Add to Query	2.054443836212158
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	2.0544439699209045
normalized entropy Create New Query Add to Query	0.7251285803206144
precursor m/z Create New Query Add to Query	301.0353762
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0015280596907125761 ppm
mass error Create New Query Add to Query	-4.6000002384971594E-7 Da