Name | Value |
---|---|
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3 | |
VHYCDWMUTMEGQY-UHFFFAOYSA-N | |
C18H31NO4 | |
325.225308472 | |
OC(COC1=CC=C(C=C1)COCCOC(C)C)CNC(C)C |
External Identifier | Value |
---|---|
2312 | |
66722-44-9 | |
3127 | |
C06852 | |
2405 |
Name | Value |
---|---|
EQ301301 | |
2015.08.25 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
325.22531 | |
Q Exactive Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
15 (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 | |
6.1 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 | |
0.5204855438716134 | |
0.2503006376659906 | |
326.2326 | |
[M+H]+ | |
2.079718581172295 ppm | |
-6.784720000041489E-4 Da |