Name | Value |
---|---|
InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) | |
LRUDIIUSNGCQKF-UHFFFAOYSA-N | |
C7H7N3 | |
133.063997224 | |
N1=NC=2C=CC(=CC2N1)C |
External Identifier | Value |
---|---|
136-85-6 | |
8705 | |
8381 |
Name | Value |
---|---|
EA016709 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
133.064 | |
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 | |
5.8 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 | |
0.029180547379873606 | |
0.026561278879603935 | |
134.0713 | |
[M+H]+ | |
4.976635566172476 ppm | |
-6.672239999829799E-4 Da |