Name | Value |
---|---|
C18H25NO6 | |
351.16818752 | |
O=C1OC2CCN3(=O)CC=C(COC(=O)C(O)(C)C(C)CC1=CC)C23 | |
InChI=1S/C18H25NO6/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/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19+/m1/s1 | |
PLGBHVNNYDZWGZ-ZFXDRFGGSA-N |
External Identifier | Value |
---|---|
13354-33-1 | |
52070 | |
C15612 | |
5380876 | |
21865984 |
Name | Value |
---|---|
NA000683 | |
2019.02.28 | |
Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |
CC BY | |
Copyright (C) 2019 | |
351.1682 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
60 % (nominal) | |
15000 | |
Kinetex Evo C18 2.6 um 50x2.1 mm, Phenomenex | |
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 at 32 min | |
300 uL/min | |
6.379 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 2.11.0 | |
positive | |
2.0822866454726445 | |
0.9476894928952057 | |
352.1755 | |
[M+H]+ | |
1.8670236856462104 ppm | |
-6.575200000042969E-4 Da |