Name | Value |
---|---|
InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14) | |
DOULWWSSZVEPIN-UHFFFAOYSA-N | |
C11H16N2O | |
192.126263132 | |
OC(=NC)NC1=CC=C(C=C1)C(C)C |
External Identifier | Value |
---|---|
34123-57-4 | |
182167 | |
158440 |
Name | Value |
---|---|
2014.01.14 | |
EA030413 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
192.1263 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
90 % (nominal) | |
30000 | |
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 | |
8.6 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 | |
1.3450768241683433 | |
0.45681939197433447 | |
193.1335 | |
[M+H]+ | |
3.7959856782664576 ppm | |
-7.331319999934749E-4 Da |