Name | Value |
---|---|
InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3 | |
AKUJBENLRBOFTD-UHFFFAOYSA-N | |
C24H31FO6 | |
434.21046693200003 | |
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C |
External Identifier | Value |
---|---|
1177-87-3 | |
3680 | |
3552 |
Name | Value |
---|---|
EQ326403 | |
2015.08.25 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
434.21047 | |
Q Exactive Plus Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
45 (nominal) | |
35000 | |
XBridge C18 3.5um, 2.1x50mm, Waters | |
90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min | |
200 ul/min | |
10.2 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.9.6 | |
positive | |
4.565475309261304 | |
0.8718659237834783 | |
435.2177 | |
[M+H]+ | |
1.693249148764154 ppm | |
-7.369320000520929E-4 Da |