Name | Value |
---|---|
InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3 | |
IECSQLKWZBEUGA-UHFFFAOYSA-N | |
C16H12O3 | |
252.078644244 | |
O=C1C(=COC2=CC(OC)=CC=C21)C=3C=CC=CC3 |
External Identifier | Value |
---|---|
1621-56-3 | |
553573 | |
638006 |
Name | Value |
---|---|
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.177 | |
BML00837 | |
2016.01.19 (Created 2012.10.26) | |
Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University | |
CC BY-SA | |
252.078644 | |
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 | |
8.628 | |
water with 0.2% acetic acid | |
methanol with 0.2% acetic acid | |
positive | |
2.4426685668619266 | |
0.8810064569867633 | |
253.0859 | |
[M+H]+ | |
2.8221406249572527 ppm | |
-7.142439999938688E-4 Da |