Name | Value |
---|---|
InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16) | |
INGSNVSERUZOAK-UHFFFAOYSA-N | |
C13H17NO2 | |
219.125928784 | |
O=C(O)C(C=1C=CC=CC1)C2NCCCC2 |
External Identifier | Value |
---|---|
78360 | |
19395-41-6 | |
86863 |
Name | Value |
---|---|
EA070153 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
219.1259 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
30 % (nominal) | |
7500 | |
XBridge C18 3.5um, 2.1x50mm, Waters | |
90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min | |
200 ul/min | |
4.8 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
Spline | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.3.1 | |
negative | |
0.0 | |
NaN | |
218.1187 | |
[M-H]- | |
0.21646928935700357 ppm | |
4.7215999984473456E-5 Da |