Name | Value |
---|---|
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 | |
SMEROWZSTRWXGI-HVATVPOCSA-N | |
C24H40O3 | |
376.29774513999996 | |
O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
External Identifier | Value |
---|---|
434-13-9 | |
16325 | |
C03990 | |
LMST04010003 | |
9903 | |
9519 |
Name | Value |
---|---|
LU130853 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
376.2977 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
45 | |
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 | |
20.561 min | |
0.1% formic acid | |
methanol | |
3234313.271484 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.015330109696900438 | |
0.022116673236002072 | |
375.2905 | |
[M-H]- | |
0.0822296328791871 ppm | |
3.0860000038046564E-5 Da |