Name | Value |
---|---|
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 | |
UIKROCXWUNQSPJ-VIFPVBQESA-N | |
C10H12N2O | |
176.094963004 | |
O=C1N(C)C(C=2C=NC=CC2)CC1 |
External Identifier | Value |
---|---|
486-56-6 | |
68641 | |
854019 | |
746405 |
Name | Value |
---|---|
EQ328204 | |
2015.08.25 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
176.09496 | |
Q Exactive Plus Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
60 (nominal) | |
35000 | |
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 | |
1.1 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.9.6 | |
positive | |
1.4272964552846303 | |
0.45520621534990635 | |
177.1022 | |
[M+H]+ | |
4.138875745094551 ppm | |
-7.330039999828841E-4 Da |