Name | Value |
---|---|
Natural Product; Fungal metabolite | |
InChI=1S/C20H28O3/c1-12(2)15-7-8-19(4)10-17-13(3)9-18(22)20(17,23)14(11-21)5-6-16(15)19/h5,11,13,15-17,23H,1,6-10H2,2-4H3/b14-5-/t13-,15-,16+,17-,19-,20+/m1/s1 | |
QXVAWAHULUVLPT-FHIBGDQLSA-N | |
C20H28O3 | |
316.20384475599997 | |
O=CC1=CCC2C(C(=C)C)CCC2(C)CC3C(C)CC(=O)C13O |
External Identifier | Value |
---|---|
108605-66-9 | |
6442110 | |
4946207 |
Name | Value |
---|---|
AC000246 | |
2017.07.07 | |
Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada | |
CC BY-SA | |
Copyright (C) 2017 | |
CONFIDENCE isolated standard | |
316.20386 | |
Q-Exactive Orbitrap Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
3.9 kV | |
HCD | |
35(NCE) | |
17500 | |
Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM | |
100:0 at 0 min, 100:0 at 0.5 min, 0:100 at 3.5 min, 0:100 at 5.5 min, 100:0 at 7 min | |
0.3 mL min-1 | |
4.55 | |
1728 | |
H2O 0.1% FA | |
ACN 0.1% FA | |
Proteowizard | |
based on Fragment ion formula determination | |
CUTOFF 0.05 Base Peak | |
positive | |
3.911911156902151 | |
0.9239047606985609 | |
317.2106 | |
[M+H]+ | |
3.829493717951307 ppm | |
-0.001214755999967565 Da |