Name | Value |
---|---|
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H | |
HPJKCIUCZWXJDR-UHFFFAOYSA-N | |
C17H11N5 | |
285.10144535200004 | |
N#CC1=CC=C(C=C1)C(C2=CC=C(C#N)C=C2)N3N=CN=C3 |
External Identifier | Value |
---|---|
112809-51-5 | |
6413 | |
C08163 | |
3902 | |
3765 |
Name | Value |
---|---|
EQ358507 | |
2015.08.25 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
285.10145 | |
Q Exactive Plus Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
120 (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 | |
6.6 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 | |
2.9570103449726397 | |
0.691428851979908 | |
286.1087 | |
[M+H]+ | |
2.5002804879506026 ppm | |
-7.153520000429126E-4 Da |