Name | Value |
---|---|
InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15) | |
AAEVYOVXGOFMJO-UHFFFAOYSA-N | |
C10H19N5S | |
241.13611660799998 | |
N=1C(=NC(C)C)NC(=NC(C)C)NC1SC |
External Identifier | Value |
---|---|
7287-19-6 | |
26276 | |
4929 | |
4760 |
Name | Value |
---|---|
EA013307 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
241.1356 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
90 % (nominal) | |
7500 | |
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 | |
8.5 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 | |
1.7934652610907087 | |
0.8162412161186527 | |
242.1434 | |
[M+H]+ | |
2.835542905430343 ppm | |
-6.866079999667818E-4 Da |