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 |
---|---|
2017.01.05 | |
UF413002 | |
Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany | |
CC BY | |
Copyright (C) 2017 | |
176.095 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
80 (nominal) | |
15000 | |
Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex | |
90/10 at 0 min, 80/20 at 3.2 min, 5/95 at 17.8 min, 5/95 at 37.8 min, 90/10 at 37.9 min, 90/10 at 47 min | |
200 uL/min | |
2.635 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 2.2.1 | |
positive | |
1.0113366182188643 | |
0.5197242116805038 | |
177.1022 | |
[M+H]+ | |
4.138875745094551 ppm | |
-7.330039999828841E-4 Da |