Name | Value |
---|---|
InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21) | |
MQOBSOSZFYZQOK-UHFFFAOYSA-N | |
C17H15ClO4 | |
318.06588664000003 | |
O=C(O)C(OC1=CC=C(C=C1)C(=O)C2=CC=C(Cl)C=C2)(C)C |
External Identifier | Value |
---|---|
42017-89-0 | |
83469 | |
64929 | |
58457 |
Name | Value |
---|---|
AU205601 | |
2015.12.06 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY-SA | |
Copyright (C) 2015 Department of Chemistry, University of Athens | |
318.0658866 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
10 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 | |
9.6 min | |
90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate | |
methanol with 0.01% formic acid and 5mM ammonium formate | |
identity on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.0.3 | |
positive | |
1.5889323598786644 | |
0.6900645560128158 | |
319.0732 | |
[M+H]+ | |
2.057960367856568 ppm | |
-6.566400000451722E-4 Da |