Name | Value |
---|---|
InChI=1S/C18H16O4/c1-3-21-14-8-9-16-15(10-14)11(2)17(18(20)22-16)12-4-6-13(19)7-5-12/h4-10,19H,3H2,1-2H3 | |
MOBDZHABRVPJCH-UHFFFAOYSA-N | |
C18H16O4 | |
296.104858992 | |
O=C1OC2=CC=C(OCC)C=C2C(=C1C=3C=CC(O)=CC3)C |
External Identifier | Value |
---|---|
600190 | |
688788 |
Name | Value |
---|---|
BML01725 | |
2016.01.19 (Created 2012.10.26) | |
Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University | |
CC BY-SA | |
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.170 | |
296.104859 | |
Agilent 1200 RRLC; Agilent 6520 QTOF | |
LC-ESI-QTOF | |
MS2 | |
40 ev | |
N2 | |
m/z 100-1000 | |
Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical) | |
60 C | |
linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min) | |
0.6 ml/min | |
8.617 | |
water with 0.2% acetic acid | |
methanol with 0.2% acetic acid | |
positive | |
2.992768912315262 | |
0.9185636083492653 | |
297.1122 | |
[M+H]+ | |
2.1170184194095807 ppm | |
-6.289920000313032E-4 Da |