MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	LTEPZFZSPZASKJ-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C9H10O3
total exact mass Create New Query Add to Query	166.06299417999998
SMILES Create New Query Add to Query	O=C(C1=CC=C(O)C=C1)CCO
InChI Create New Query Add to Query	InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2

Name	Value
ms level Create New Query Add to Query	MS2
formula Create New Query Add to Query	C9H10O3
exact mass Create New Query Add to Query	166.0629942
retention time Create New Query Add to Query	2.224045494
spectrum entropy Create New Query Add to Query	1.0883835554122925
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	1.0883834849703664
normalized entropy Create New Query Add to Query	0.6074383887248412
precursor m/z Create New Query Add to Query	165.0557177
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0029081087862971935 ppm
mass error Create New Query Add to Query	-4.799999828719592E-7 Da