MassBank of North America

Rating: ★☆☆☆☆

Name	Value
InChI Create New Query Add to Query	InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
InChIKey Create New Query Add to Query	BHTRKEVKTKCXOH-BJLOMENOSA-N
molecular formula Create New Query Add to Query	C26H45NO6S
total exact mass Create New Query Add to Query	499.29675915999997
SMILES Create New Query Add to Query	O=S(=O)(O)CCN=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Name	Value
formula Create New Query Add to Query	C26H45NO6S
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-POS.msp
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	4.003665491633643
normalized entropy Create New Query Add to Query	0.7339009761245054
precursor m/z Create New Query Add to Query	464.283
precursor type Create New Query Add to Query	M-2H2O+H