Name | Value |
---|---|
InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3 | |
JGOAIQNSOGZNBX-UHFFFAOYSA-N | |
C20H25NO2 | |
311.18852904000005 | |
O=C(OCCN(CC)CC)C(C=1C=CC=CC1)C=2C=CC=CC2 |
External Identifier | Value |
---|---|
2031 |
Name | Value |
---|---|
CO000028 | |
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 | |
311.18853 | |
Micromass Q-TOF II | |
LC-ESI-QTOF | |
MS2 | |
30 eV | |
ESI | |
positive | |
1.0617655749457349 | |
0.5106013098536103 | |
312.19647 | |
[M+H]+ | |
0.09301834858094392 ppm | |
-2.90400000722002E-5 Da |