Name | Value |
---|---|
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | |
AAOVKJBEBIDNHE-UHFFFAOYSA-N | |
C16H13ClN2O | |
284.071640716 | |
O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3)C |
External Identifier | Value |
---|---|
439-14-5 | |
49575 | |
C06948 | |
3016 | |
2908 |
Name | Value |
---|---|
EA262604 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
284.0716 | |
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 | |
10.1 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 | |
1.7298076905733044 | |
0.5373949741115387 | |
285.0789 | |
[M+H]+ | |
2.4930501696709215 ppm | |
-7.107160000145996E-4 Da |