Name | Value |
---|---|
InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3 | |
YQEZLKZALYSWHR-UHFFFAOYSA-N | |
C13H16ClNO | |
237.092041812 | |
O=C1CCCCC1(NC)C=2C=CC=CC2Cl |
External Identifier | Value |
---|---|
6740-88-1 | |
C07525 | |
3821 | |
3689 |
Name | Value |
---|---|
ESI | |
HCD | |
EA282605 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
237.092 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
60 % (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 | |
4.6 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 | |
2.179628897424996 | |
0.6408416368825434 | |
238.0993 | |
[M+H]+ | |
2.9895593980813726 ppm | |
-7.118119999915962E-4 Da |