Name | Value |
---|---|
InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1 | |
GHKISGDRQRSCII-ZOCIIQOWSA-N | |
C20H19NO5 | |
353.126322708 | |
OC1CC2=CC=3OCOC3C=C2C4N(C)CC5=C6OCOC6=CC=C5C14 |
External Identifier | Value |
---|---|
476-32-4 | |
31389 | |
C12242 | |
197810 | |
171216 |
Name | Value |
---|---|
1.9560640390353194 ppm | |
-6.927079999741181E-4 Da | |
NA002276 | |
2020.02.21 | |
Tobias Schulze, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
CC0 | |
Copyright (C) 2020 by Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
353.1263 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
15% (nominal) | |
15000 | |
Kinetex Evo C18 2.6 um 50 x 2.1 mm | |
95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min, 95/5 at 24.3 min, 95/5/0 at 32 min | |
300 uL/min | |
7.006 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.14.1 | |
positive | |
0.11075010946715386 | |
0.0688129120182439 | |
354.1336 | |
[M+H]+ |