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 |
---|---|
CC BY | |
177.1022 | |
AU228301 | |
2018.12.19 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
Copyright (C) 2018 Department of Chemistry, University of Athens | |
176.094963 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
10 eV | |
35000 | |
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo | |
99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min | |
200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min | |
3.606 min | |
90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate | |
methanol with 0.01% formic acid and 5mM ammonium formate | |
identity on assigned fragments and MS1 | |
RMassBank 2.10.0 | |
positive | |
0.4174944553766134 | |
0.3011585901852394 | |
[M+H]+ | |
4.138875745094551 ppm | |
-7.330039999828841E-4 Da |