Name | Value |
---|---|
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 | |
PJVWKTKQMONHTI-UHFFFAOYSA-N | |
C19H16O4 | |
308.104858992 | |
O=C1OC=2C=CC=CC2C(O)=C1C(C=3C=CC=CC3)CC(=O)C |
External Identifier | Value |
---|---|
81-81-2 | |
87732 | |
D08682 | |
54678486 | |
10442445 |
Name | Value |
---|---|
2019.03.29 | |
0.6005795182080796 | |
AU241562 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
308.104859 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
Ramp 24.3-36.4 eV | |
35000 | |
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo | |
99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min | |
200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min | |
6.664 min | |
90:10 water:methanol with 5mM ammonium acetate | |
methanol with 5mM ammonium acetate | |
identity on assigned fragments and MS1 | |
RMassBank 2.10.0 | |
negative | |
2.001253779291814 | |
307.0976 | |
[M-H]- | |
0.05538304430305791 ppm | |
1.700799998616276E-5 Da |