MassBank of North America

Rating: ★★★☆☆

Name	Value
molecular formula Create New Query Add to Query	C21H30O3
total exact mass Create New Query Add to Query	330.21949481999997
SMILES Create New Query Add to Query	O=C1C=C2CCC3C(CCC4(C)C3CCC4(O)C(=O)C)C2(C)CC1
InChI Create New Query Add to Query	InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3
InChIKey Create New Query Add to Query	DBPWSSGDRRHUNT-UHFFFAOYSA-N

Name	Value
scannumber Create New Query Add to Query	439
retention time Create New Query Add to Query	1.9236
spectrumtype Create New Query Add to Query	Centroid
formula Create New Query Add to Query	C21H30O3
author Create New Query Add to Query	Max L. Feuerstein
collision energy Create New Query Add to Query	20
instrument Create New Query Add to Query	Agilent 6560
instrumenttype Create New Query Add to Query	LC-QTOF
origin Create New Query Add to Query	Steroids_LCQTOF_pos_20V&40V.msp
spectral entropy Create New Query Add to Query	3.3350200498938283
normalized entropy Create New Query Add to Query	0.7677646040762652
ionization mode Create New Query Add to Query	positive
precursor m/z Create New Query Add to Query	331.2267713
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	2.0937921087970013 ppm
mass error Create New Query Add to Query	-6.93519999970249E-4 Da