Name | Value |
---|---|
InChI=1S/C10H13NO4S/c1-7-4-3-5-8(2)10(7)11-9(12)6-16(13,14)15/h3-5H,6H2,1-2H3,(H,11,12)(H,13,14,15) | |
ZNKNVJGSYJFDHT-UHFFFAOYSA-N | |
C10H13NO4S | |
243.056528896 | |
O=S(=O)(O)CC(O)=NC=1C(=CC=CC1C)C |
Name | Value |
---|---|
AU255902 | |
2019.05.29 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
243.0565289 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
20 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 | |
9.356 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 | |
1.5339627087257601 | |
0.7376801309290852 | |
244.0638 | |
[M+H]+ | |
2.8635791134005015 ppm | |
-6.988960000171573E-4 Da |