Name | Value |
---|---|
InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+ | |
QHMTXANCGGJZRX-WUXMJOGZSA-N | |
C10H11N5O | |
217.09635997200002 | |
OC1=NN=C(C)CN1N=CC=2C=NC=CC2 |
External Identifier | Value |
---|---|
123312-89-0 | |
39311 | |
86370 | |
77888 |
Name | Value |
---|---|
218.1036 | |
[M+H]+ | |
EA294713 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
217.0964 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
90 % (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 | |
1.5 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 | |
0.698271245418435 | |
0.25785018502767415 | |
3.346904865468669 ppm | |
-7.299720000162324E-4 Da |