Name | Value |
---|---|
C18H23NO6 | |
349.152537456 | |
InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-,19?/m1/s1 | |
COHUFMBRBUPZPA-HPHFTHPTSA-N | |
O=C1OC2CCN3(=O)CC=C(COC(=O)C(O)(C(=C)CC1=CC)C)C23 |
External Identifier | Value |
---|---|
38710-26-8 | |
136427 | |
6442619 | |
29304933 |
Name | Value |
---|---|
NA002364 | |
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 | |
349.1525 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
10% (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 | |
3.031 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 | |
0.0 | |
NaN | |
350.1598 | |
[M+H]+ | |
2.020380409134488 ppm | |
-7.074559999864505E-4 Da |