Name | Value |
---|---|
InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18) | |
ZRWWEEVEIOGMMT-UHFFFAOYSA-N | |
C15H12N2O2 | |
252.089877624 | |
N=C(O)N1C=2C=CC=CC2C3OC3C=4C=CC=CC41 |
External Identifier | Value |
---|---|
36507-30-9 | |
C07496 | |
2555 | |
2458 |
Name | Value |
---|---|
EA091612 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
252.0899 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
75 % (nominal) | |
15000 | |
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 | |
6.3 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 | |
0.9519979016775083 | |
0.43327291688665354 | |
253.0972 | |
[M+H]+ | |
2.55879559319395 ppm | |
-6.476240000097278E-4 Da |