MassBank of North America

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Name	Value
molecular formula Create New Query Add to Query	C41H73O9P
total exact mass Create New Query Add to Query	740.4992205460001
SMILES Create New Query Add to Query	O=C(OC(COCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCC
InChI Create New Query Add to Query	InChI=1S/C41H73O9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-47-37-40(38-49-51(45,46)48-36-39(43)35-42)50-41(44)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,39-40,42-43H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,24-22-,30-28-
InChIKey Create New Query Add to Query	OXEWGNUYCVJXLH-GLWDABGQSA-N

Name	Value
formula Create New Query Add to Query	C41H73O9P
retention time Create New Query Add to Query	8.38
ccs Create New Query Add to Query	265.77
compound class Create New Query Add to Query	EtherPG
origin Create New Query Add to Query	MSDIAL-TandemMassSpectralAtlas-VS69-Neg.msp
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	1.0572997409564067
normalized entropy Create New Query Add to Query	0.7626805465054968
precursor m/z Create New Query Add to Query	739.49194
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.0061474639111833065 ppm
mass error Create New Query Add to Query	-4.546000013760931E-6 Da