Name | Value |
---|---|
InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3 | |
FRQDZJMEHSJOPU-UHFFFAOYSA-N | |
C22H42O6 | |
402.29813906399994 | |
O=C(OCCOCCOCCOC(=O)C(CC)CCCC)C(CC)CCCC |
External Identifier | Value |
---|---|
99-82-1 | |
7185 | |
6917 |
Name | Value |
---|---|
LU084706 | |
2020.08.19 | |
-7.09063999920545E-4 Da | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
402.2981 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
90 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
20.572 min | |
0.1% formic acid | |
methanol | |
2218970.4375 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
0.8293105628436082 | |
0.5152796242940282 | |
403.3054 | |
[M+H]+ | |
1.7581316786746348 ppm |