Name | Value |
---|---|
InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | |
VKHAHZOOUSRJNA-GCNJZUOMSA-N | |
C29H35NO2 | |
429.26677936 | |
O=C1C=C2C(=C3C(C4=CC=C(C=C4)N(C)C)CC5(C)C(CCC5(O)C#CC)C3CC2)CC1 |
External Identifier | Value |
---|---|
84371-65-3 | |
50692 | |
D00585 | |
55245 | |
49889 |
Name | Value |
---|---|
LU099703 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
429.2668 | |
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 | |
16.426 min | |
0.1% formic acid | |
methanol | |
7107166.9375 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
4.7680647325438015 | |
0.8713137592926841 | |
430.2741 | |
[M+H]+ | |
1.509177521982514 ppm | |
-6.493600000112565E-4 Da |