MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C19H26O2
total exact mass Create New Query Add to Query	286.193280072
SMILES Create New Query Add to Query	O=C1C=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CC1
InChI Create New Query Add to Query	InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3
InChIKey Create New Query Add to Query	AEMFNILZOJDQLW-UHFFFAOYSA-N

Name	Value
scannumber Create New Query Add to Query	511
retention time Create New Query Add to Query	10.81945
spectrumtype Create New Query Add to Query	Centroid
formula Create New Query Add to Query	C19H26O2
author Create New Query Add to Query	Max L. Feuerstein
origin Create New Query Add to Query	Steroids_LCQTOF_pos_20V&40V.msp
collision energy Create New Query Add to Query	40
instrument Create New Query Add to Query	Agilent 6560
instrumenttype Create New Query Add to Query	LC-QTOF
spectral entropy Create New Query Add to Query	2.2270813933485467
normalized entropy Create New Query Add to Query	0.6613857248644212
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	287.2005565
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.414939610288542 ppm
mass error Create New Query Add to Query	-6.935719999887624E-4 Da