Name | Value |
---|---|
InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) | |
LKJPSUCKSLORMF-UHFFFAOYSA-N | |
C9H11ClN2O2 | |
214.050905272 | |
O=C(NC1=CC=C(Cl)C=C1)N(OC)C |
External Identifier | Value |
---|---|
1746-81-2 | |
15629 | |
14868 |
Name | Value |
---|---|
EQ317301 | |
2015.08.25 | |
Huntscha S, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
214.05091 | |
Q Exactive Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
15 (nominal) | |
35000 | |
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 | |
8.0 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 1.9.6 | |
positive | |
1.732504120934378 | |
0.5883987181234923 | |
215.0582 | |
[M+H]+ | |
3.1399500228085935 ppm | |
-6.752719999951751E-4 Da |