Name | Value |
---|---|
InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | |
HYYBABOKPJLUIN-UHFFFAOYSA-N | |
C15H15NO2 | |
241.11027872 | |
O=C(O)C=1C=CC=CC1NC2=CC=CC(=C2C)C |
External Identifier | Value |
---|---|
61-68-7 | |
C02168 | |
4044 | |
3904 |
Name | Value |
---|---|
EA020855 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
241.1103 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
60 % (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 | |
14.6 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 | |
0.7593124621952908 | |
0.47178735900840874 | |
240.103 | |
[M-H]- | |
0.011328471521305996 ppm | |
-2.7199999976801337E-6 Da |