Name | Value |
---|---|
InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) | |
NNJVILVZKWQKPM-UHFFFAOYSA-N | |
C14H22N2O | |
234.173213324 | |
OC(=NC=1C(=CC=CC1C)C)CN(CC)CC |
External Identifier | Value |
---|---|
137-58-6 | |
6456 | |
C07073 | |
3676 | |
3548 |
Name | Value |
---|---|
CC BY | |
EA257204 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
234.1732 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
45 % (nominal) | |
7500 | |
XBridge C18 3.5um, 2.1x50mm, Waters | |
90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min | |
200 ul/min | |
4.2 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
Spline | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.3.1 | |
positive | |
0.31797168835713696 | |
0.28943030369943007 | |
235.1805 | |
[M+H]+ | |
2.9055300077748383 ppm | |
-6.833239999934904E-4 Da |