Name | Value |
---|---|
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2 | |
DEMKZLAVQYISIA-UHFFFAOYSA-N | |
C21H22O9 | |
418.126382284 | |
O=C1C2=CC=C(O)C=C2OC(C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C1 |
External Identifier | Value |
---|---|
3021864 | |
3794292 |
Name | Value |
---|---|
BML01676 | |
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 0.694 | |
418.126382 | |
Agilent 1200 RRLC; Agilent 6520 QTOF | |
LC-ESI-QTOF | |
MS2 | |
10 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 | |
5.069 | |
water with 0.2% acetic acid | |
methanol with 0.2% acetic acid | |
negative | |
1.0985584267924746 | |
0.38774292415964184 | |
417.1191 | |
[M-H]- | |
0.015065241544055082 ppm | |
-6.283999994138867E-6 Da |