Name | Value |
---|---|
InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22) | |
JXTHEWSKYLZVJC-UHFFFAOYSA-N | |
C18H13NO3 | |
291.089543276 | |
O=C(O)C=1C=CC=CC1C(O)=NC2=CC=CC=3C=CC=CC23 |
External Identifier | Value |
---|---|
132-66-1 | |
8594 | |
8275 |
Name | Value |
---|---|
EQ309705 | |
2015.08.25 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
291.08954 | |
Q Exactive Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
75 (nominal) | |
35000 | |
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 | |
7.2 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 1.9.6 | |
positive | |
2.489248282651947 | |
0.6659893829233643 | |
292.0968 | |
[M+H]+ | |
2.441916515343685 ppm | |
-7.132759999990412E-4 Da |