Name | Value |
---|---|
InChI=1S/C16H12O4/c1-19-11-5-2-4-10(8-11)15-9-13(18)16-12(17)6-3-7-14(16)20-15/h2-9,17H,1H3 | |
IPQOBEBHJDIMQR-UHFFFAOYSA-N | |
C16H12O4 | |
268.073558864 | |
O=C1C=C(OC=2C=CC=C(O)C12)C=3C=CC=C(OC)C3 |
External Identifier | Value |
---|---|
600091 | |
688678 |
Name | Value |
---|---|
BML01769 | |
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 1.314 | |
268.073559 | |
Agilent 1200 RRLC; Agilent 6520 QTOF | |
LC-ESI-QTOF | |
MS2 | |
20 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 | |
9.673 | |
water with 0.2% acetic acid | |
methanol with 0.2% acetic acid | |
positive | |
1.0553372218904797 | |
0.6557178837016437 | |
269.0809 | |
[M+H]+ | |
2.3370815246296277 ppm | |
-6.288640000207124E-4 Da |