Name | Value |
---|---|
InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15) | |
WRMRXPASUROZGT-UHFFFAOYSA-N | |
C12H18N2O | |
206.141913196 | |
OC(=NC=1C(=CC=CC1C)C)CNCC |
External Identifier | Value |
---|---|
7728-40-7 | |
222828 | |
C16561 | |
24415 | |
22824 |
Name | Value |
---|---|
AU211305 | |
2015.12.05 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY-SA | |
Copyright (C) 2015 Department of Chemistry, University of Athens | |
206.1419132 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
50 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 | |
4.3 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 | |
Peaks with additional N2/O included | |
RMassBank 2.0.3 | |
positive | |
1.0832609074972108 | |
0.9860265706753472 | |
207.1492 | |
[M+H]+ | |
3.2980865964382176 ppm | |
-6.831959999828996E-4 Da |