MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	NFQFDMJGZPLWGI-ADWAJRLUSA-N
molecular formula Create New Query Add to Query	C19H20O7
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
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	2.259080318
spectrum entropy Create New Query Add to Query	1.9577062129974363
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	1.9577062195128325
normalized entropy Create New Query Add to Query	0.722920948332502
precursor m/z Create New Query Add to Query	361.1281794
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	1.9205922980404297 ppm
mass error Create New Query Add to Query	-6.935799999610026E-4 Da