Name | Value |
---|---|
InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3 | |
YQEZLKZALYSWHR-UHFFFAOYSA-N | |
C13H16ClNO | |
237.092041812 | |
O=C1CCCCC1(NC)C=2C=CC=CC2Cl |
External Identifier | Value |
---|---|
6740-88-1 | |
6121 | |
D08098 | |
3821 | |
3689 |
Name | Value |
---|---|
AU158603 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
237.0920418 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
30 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 | |
4.504 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 2.10.1 | |
positive | |
2.4004999580604984 | |
0.6552366767450184 | |
238.0993 | |
[M+H]+ | |
2.9895593980813726 ppm | |
-7.118119999915962E-4 Da |