Name | Value |
---|---|
Natural Product; Fungal metabolite | |
InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) | |
DGMPVYSXXIOGJY-UHFFFAOYSA-N | |
C10H13NO2 | |
179.094628656 | |
O=C(O)C1=NC=C(C=C1)CCCC |
External Identifier | Value |
---|---|
536-69-6 | |
3442 | |
3324 | |
C00002040 |
Name | Value |
---|---|
LC-ESI-ITFT | |
AC000888 | |
2017.07.07 | |
Megan J. Kelman, Justin B. Renaud, Mark W. Sumarah, Agriculture and Agri-Food Canada | |
CC BY-SA | |
Copyright (C) 2017 | |
CONFIDENCE Fusarium verticilloides | |
179.09463 | |
Q-Exactive Orbitrap Thermo Scientific | |
MS2 | |
ESI | |
3.9 kV | |
HCD | |
10(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 | |
2.53 | |
610 | |
H2O 0.1% FA | |
ACN 0.1% FA | |
Proteowizard | |
based on Fragment ion formula determination | |
CUTOFF 0.05 Base Peak | |
positive | |
1.3272428834530672 | |
0.6382689086709695 | |
180.1014 | |
[M+H]+ | |
6.655450762656349 ppm | |
-0.0011986559999854762 Da |