Name | Value |
---|---|
InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17) | |
JGCSKOVQDXEQHI-UHFFFAOYSA-N | |
C13H8N2O2 | |
224.058577496 | |
O=C(O)C=1C=CC=C2N=C3C=CC=CC3=NC21 |
External Identifier | Value |
---|---|
2538-68-3 | |
62412 | |
95069 | |
85784 |
Name | Value |
---|---|
2017.10.25 | |
RP019002 | |
BGC, Helmholtz Zentrum Muenchen | |
CC BY | |
Copyright (C) 2017 | |
224.05858 | |
maXis plus UHR-ToF-MS, Bruker Daltonics | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
20 | |
BEH C18 1.7um, 2.1x100mm, Waters | |
95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min | |
400 uL/min | |
4.344 min | |
Water with 0.1% formic acid | |
ACN with 0.1% formic acid | |
Peaks with additional N2/O included | |
RMassBank 2.4.0 | |
positive | |
1.1576744905201288 | |
0.5027716430730503 | |
225.0659 | |
[M+H]+ | |
2.8769173828604733 ppm | |
-6.47495999999137E-4 Da |