MassBank of North America

Rating: ★★★☆☆

Name	Value
total exact mass Create New Query Add to Query	116.010958608
SMILES Create New Query Add to Query	O=C(O)C=CC(=O)O
InChI Create New Query Add to Query	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKey Create New Query Add to Query	VZCYOOQTPOCHFL-OWOJBTEDSA-N
molecular formula Create New Query Add to Query	C4H4O4

Name	Value
formula Create New Query Add to Query	C4H4O4
retention time Create New Query Add to Query	CCS:
instrumenttype Create New Query Add to Query	ESI-Orbitrap
instrument Create New Query Add to Query	Orbitrap
origin Create New Query Add to Query	GNPS-NUTRI-METAB-FEM-NEG.msp
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	2.68704393095826
normalized entropy Create New Query Add to Query	0.797982733512622
precursor m/z Create New Query Add to Query	231.015
precursor type Create New Query Add to Query	2M-H
mass accuracy Create New Query Add to Query	1.5530766399811047 ppm
mass error Create New Query Add to Query	3.587839999852349E-4 Da