Name | Value |
---|---|
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) | |
HAORKNGNJCEJBX-UHFFFAOYSA-N | |
C14H15N3 | |
225.12659748 | |
N=1C(=NC(=CC1C)C2CC2)NC=3C=CC=CC3 |
External Identifier | Value |
---|---|
C10914 | |
121552-61-2 | |
86367 | |
77885 |
Name | Value |
---|---|
225.126 | |
EA014803 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
30 % (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 | |
9.4 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 | |
0.0 | |
NaN | |
226.1339 | |
[M+H]+ | |
2.951702508892916 ppm | |
-6.674799999757397E-4 Da |