Name | Value |
---|---|
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15) | |
FZXISNSWEXTPMF-UHFFFAOYSA-N | |
C9H16ClN5 | |
229.109423192 | |
ClC1=NC(=NCC)NC(=N1)NC(C)(C)C |
External Identifier | Value |
---|---|
5915-41-3 | |
30263 | |
22206 | |
20848 |
Name | Value |
---|---|
EA028414 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
229.1089 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
35 % (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 | |
10.1 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 | |
0.0 | |
NaN | |
230.1167 | |
[M+H]+ | |
3.0123498207646535 ppm | |
-6.931919999999536E-4 Da |