Name | Value |
---|---|
InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2 | |
ISQRJFLLIDGZEP-UHFFFAOYSA-N | |
C21H20O10 | |
432.10564683999996 | |
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(OC4OC(CO)C(O)C(O)C4O)=CC3 |
External Identifier | Value |
---|---|
4800150 | |
6078194 |
Name | Value |
---|---|
BML01295 | |
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 0.777 | |
432.105647 | |
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 | |
5.697 | |
water with 0.2% acetic acid | |
methanol with 0.2% acetic acid | |
positive | |
1.0314313021591732 | |
0.6408643006298052 | |
433.1129 | |
[M+H]+ | |
1.6550880842816191 ppm | |
-7.168399999386565E-4 Da |