Name | Value |
---|---|
InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3 | |
NWIUTZDMDHAVTP-UHFFFAOYSA-N | |
C18H29NO3 | |
307.214743788 | |
OC(COC1=CC=C(C=C1)CCOCC2CC2)CNC(C)C |
External Identifier | Value |
---|---|
2369 |
Name | Value |
---|---|
CO000080 | |
2016.01.19 (Created 2008.07.15, modified 2012.11.20) | |
Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant | |
CC BY-SA | |
Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g | |
307.21474 | |
Micromass Q-TOF II | |
LC-ESI-QTOF | |
MS2 | |
50 eV | |
ESI | |
positive | |
3.318329292948457 | |
0.8280642361301325 | |
308.22268 | |
[M+H]+ | |
0.10962204337491736 ppm | |
-3.3787999996093276E-5 Da |