Name | Value |
---|---|
InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 | |
SNPPWIUOZRMYNY-UHFFFAOYSA-N | |
C13H18ClNO | |
239.107691876 | |
O=C(C=1C=CC=C(Cl)C1)C(NC(C)(C)C)C |
External Identifier | Value |
---|---|
34841-39-9 | |
3219 | |
C06860 | |
444 | |
431 |
Name | Value |
---|---|
CC BY | |
AU270303 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
239.1076919 | |
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 | |
5.558 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 | |
1.8290075093170102 | |
0.713077435231365 | |
240.115 | |
[M+H]+ | |
2.7564958456615405 ppm | |
-6.618759999810209E-4 Da |