Name | Value |
---|---|
InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22) | |
JOHZPMXAZQZXHR-UHFFFAOYSA-N | |
C14H17N5O3 | |
303.133139404 | |
O=C(O)C1=CN(C2=NC(=NC=C2C1=O)N3CCNCC3)CC |
External Identifier | Value |
---|---|
51940-44-4 | |
6921791 | |
4665 |
Name | Value |
---|---|
EQ307501 | |
2015.08.25 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
303.13314 | |
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 | |
3.6 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 1.9.6 | |
positive | |
0.24413275879237537 | |
0.17610456021415072 | |
304.1404 | |
[M+H]+ | |
2.3324885481170243 ppm | |
-7.09404000019731E-4 Da |