Name | Value |
---|---|
InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1 | |
QELDJEKNFOQJOY-ZDUSSCGKSA-N | |
C20H23NO4 | |
341.162708216 | |
OC=1C(OC)=CC=C2C1C=3C(OC)=C(OC)C=C4C3C(N(C)CC4)C2 |
External Identifier | Value |
---|---|
475-67-2 | |
6000 | |
C09549 | |
10143 | |
9737 |
Name | Value |
---|---|
NA003307 | |
2020.02.22 | |
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 | |
341.1627 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
75% (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 | |
6.274 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 | |
3.597526423139182 | |
0.8525938745712124 | |
342.17 | |
[M+H]+ | |
1.9821024636378621 ppm | |
-6.782159999829673E-4 Da |