Name | Value |
---|---|
InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14) | |
JXCGFZXSOMJFOA-UHFFFAOYSA-N | |
C10H13ClN2O | |
212.071640716 | |
ClC1=CC(N=C(O)N(C)C)=CC=C1C |
External Identifier | Value |
---|---|
15545-48-9 | |
27375 | |
25472 |
Name | Value |
---|---|
EA027306 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
212.0711 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
75 % (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 | |
8.2 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 | |
0.6441717966327866 | |
0.2797602566753229 | |
213.0789 | |
[M+H]+ | |
3.3354593063235156 ppm | |
-7.107159999861778E-4 Da |