Name | Value |
---|---|
InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14) | |
GEFDRROBUCULOD-UHFFFAOYSA-N | |
C9H9NO4 | |
195.053157768 | |
O=C(O)C1=CC(N=C(O)C)=CC=C1O |
External Identifier | Value |
---|---|
51-59-2 | |
89810 | |
65512 | |
58958 |
Name | Value |
---|---|
AU272506 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
195.0531578 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
Ramp 17.9-26.8 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 | |
3.436 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 | |
RMassBank 2.10.1 | |
positive | |
1.7508444118554152 | |
0.7045916239971383 | |
196.0604 | |
[M+H]+ | |
3.7119581517665665 ppm | |
-7.277680000186137E-4 Da |