Name | Value |
---|---|
InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16) | |
VPPJLAIAVCUEMN-UHFFFAOYSA-N | |
C13H18N2O3 | |
250.13174243599997 | |
OC(=NC(C(O)=NCC=1C=CC=CC1)COC)C |
External Identifier | Value |
---|---|
175481-36-4 | |
21634109 | |
10266281 |
Name | Value |
---|---|
EQ362701 | |
2015.08.25 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
250.13174 | |
Q Exactive Plus 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 | |
5.1 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.9.6 | |
positive | |
1.697415103786447 | |
0.6268034112128269 | |
251.139 | |
[M+H]+ | |
2.83681945041575 ppm | |
-7.12435999957961E-4 Da |