Name | Value |
---|---|
InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) | |
MXWJVTOOROXGIU-UHFFFAOYSA-N | |
C8H14ClN5 | |
215.093773128 | |
ClC1=NC(=NCC)NC(=NC(C)C)N1 |
External Identifier | Value |
---|---|
1912-24-9 | |
15930 | |
C06551 | |
2256 | |
2169 |
Name | Value |
---|---|
EA028809 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
215.0932 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
30 % (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 | |
8.3 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 | |
0.4238597151259907 | |
0.30575015452243776 | |
216.101 | |
[M+H]+ | |
3.438799450305778 ppm | |
-7.431280000105289E-4 Da |