Name | Value |
---|---|
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 | |
FMGSKLZLMKYGDP-USOAJAOKSA-N | |
C19H28O2 | |
288.208930136 | |
O=C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C |
External Identifier | Value |
---|---|
53-43-0 | |
28689 | |
C01227 | |
LMST02020021 | |
5881 | |
5670 |
Name | Value |
---|---|
2015.08.25 | |
EQ308504 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
288.20893 | |
Q Exactive Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
60 (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 | |
11.2 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
Spline | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.9.6 | |
positive | |
3.764444214648864 | |
0.8345292530637148 | |
289.2162 | |
[M+H]+ | |
2.4208049202556663 ppm | |
-7.001359999776469E-4 Da |