MassBank of North America

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Name	Value
InChIKey Create New Query Add to Query	BGWGXPAPYGQALX-ARQDHWQXSA-N
molecular formula Create New Query Add to Query	C6H13O9P
total exact mass Create New Query Add to Query	260.02971862600003
SMILES Create New Query Add to Query	O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
InChI Create New Query Add to Query	InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

Name	Value
collision energy Create New Query Add to Query	30.0,50.0,70.0
ionization Create New Query Add to Query	ESI
ionization mode Create New Query Add to Query	negative
retention time Create New Query Add to Query	12.79436
formula Create New Query Add to Query	C6H13O9P
ontology Create New Query Add to Query	HMDB0000124
origin Create New Query Add to Query	EMBL-MCF_2.0_HRMS_Library.msp
spectral entropy Create New Query Add to Query	1.1913433648570628
normalized entropy Create New Query Add to Query	0.6122293803932457
precursor m/z Create New Query Add to Query	519.0521
precursor type Create New Query Add to Query	[2M-H]-
mass accuracy Create New Query Add to Query	0.11800742165027323 ppm
mass error Create New Query Add to Query	-6.125200002315978E-5 Da