Name | Value |
---|---|
InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1 | |
ZZCHHVUQYRMYLW-HKBQPEDESA-N | |
C34H30N2O5 | |
546.21547206 | |
O=C(O)C(NC=1C=CC=CC1C(=O)C=2C=CC=CC2)CC3=CC=C(OCCC=4N=C(OC4C)C=5C=CC=CC5)C=C3 |
External Identifier | Value |
---|---|
196808-45-4 | |
D04132 | |
170364 | |
148961 |
Name | Value |
---|---|
LU050851 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
15 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
546.2155 | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
20.138 min | |
0.1% formic acid | |
methanol | |
5945533.107422 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
1.7373852736631532 | |
0.5108157741830608 | |
545.2082 | |
[M-H]- | |
0.0072265972081689556 ppm | |
3.940000055990822E-6 Da |