MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C19H20O7
InChIKey Create New Query Add to Query	NFQFDMJGZPLWGI-ADWAJRLUSA-N
total exact mass Create New Query Add to Query	360.12090298
SMILES Create New Query Add to Query	O=C1C2=C(CC(C)C1)C(O)C(O)C3(O)C(O)C=4C(O)=CC=CC4C(=O)C23
InChI Create New Query Add to Query	InChI=1S/C19H20O7/c1-7-5-9-12(11(21)6-7)14-15(22)8-3-2-4-10(20)13(8)17(24)19(14,26)18(25)16(9)23/h2-4,7,14,16-18,20,23-26H,5-6H2,1H3/t7-,14-,16?,17+,18?,19-/m1/s1

Name	Value
spectrum entropy Create New Query Add to Query	2.221980094909668
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C19H20O7
exact mass Create New Query Add to Query	360.120903
retention time Create New Query Add to Query	2.267111109
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	2.2219800416383197
normalized entropy Create New Query Add to Query	0.7687523362931169
precursor m/z Create New Query Add to Query	359.1136265
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.001336624253304293 ppm
mass error Create New Query Add to Query	-4.799999828719592E-7 Da