Name | Value |
---|---|
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3 | |
QXKHYNVANLEOEG-UHFFFAOYSA-N | |
C12H8O4 | |
216.042258736 | |
O=C1OC2=C(OC)C=3OC=CC3C=C2C=C1 |
External Identifier | Value |
---|---|
298-81-7 | |
3971 | |
4114 |
Name | Value |
---|---|
BML00979 | |
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 0.909 | |
216.042259 | |
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 | |
6.673 | |
water with 0.2% acetic acid | |
methanol with 0.2% acetic acid | |
positive | |
1.991623022842263 | |
0.7546721325423487 | |
217.0496 | |
[M+H]+ | |
2.8967388099776348 ppm | |
-6.287360000101216E-4 Da |