Name | Value |
---|---|
Natural Product; Fungal metabolite | |
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+ | |
HPNSFSBZBAHARI-RUDMXATFSA-N | |
C17H20O6 | |
320.12598835999995 | |
O=C1OCC2=C1C(O)=C(C(OC)=C2C)CC=C(C)CCC(=O)O |
External Identifier | Value |
---|---|
24280-93-1 | |
446541 | |
393865 | |
C00018753 |
Name | Value |
---|---|
AC000680 | |
2017.07.07 | |
Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada | |
CC BY-SA | |
Copyright (C) 2017 | |
CONFIDENCE isolated standard | |
320.12598 | |
Q-Exactive Orbitrap Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
3.9 kV | |
HCD | |
55(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 | |
3.36 | |
1049 | |
H2O 0.1% FA | |
ACN 0.1% FA | |
Proteowizard | |
based on Fragment ion formula determination | |
CUTOFF 0.05 Base Peak | |
negative | |
2.852759327348398 | |
0.8561177198569973 | |
319.1192 | |
[M-H]- | |
1.5280810431246659 ppm | |
4.8764000001710883E-4 Da |