Name | Value |
---|---|
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1 | |
IXORZMNAPKEEDV-OBDJNFEBSA-N | |
C19H22O6 | |
346.141638424 | |
O=C(O)C1C2C3(OC(=O)C2(C)C(O)C=C3)C4CCC5(O)C(=C)CC14C5 |
External Identifier | Value |
---|---|
77-06-5 | |
28833 | |
C01699 | |
LMPR0104170002 | |
6466 | |
6223 |
Name | Value |
---|---|
13.063 min | |
LU044952 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
346.1416 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
30 | |
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 | |
0.1% formic acid | |
methanol | |
9441319.419434 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
2.632559039424087 | |
0.6378660818419958 | |
345.1344 | |
[M-H]- | |
0.10887352872123396 ppm | |
3.757600001108585E-5 Da |