Name | Value |
---|---|
InChI=1S/C12H8N2O/c15-8-5-6-11-12(7-8)14-10-4-2-1-3-9(10)13-11/h1-7,15H | |
RETSEGNZNUBJRB-UHFFFAOYSA-N | |
C12H8N2O | |
196.063662876 | |
OC1=CC=C2N=C3C=CC=CC3=NC2=C1 |
External Identifier | Value |
---|---|
4190-95-8 | |
10465369 | |
135441800 |
Name | Value |
---|---|
RP018503 | |
2017.10.25 | |
BGC, Helmholtz Zentrum Muenchen | |
CC BY | |
Copyright (C) 2017 | |
196.06366 | |
maXis plus UHR-ToF-MS, Bruker Daltonics | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
40 | |
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 | |
3.683 min | |
Water with 0.1% formic acid | |
ACN with 0.1% formic acid | |
Peaks with additional N2/O included | |
RMassBank 2.4.0 | |
positive | |
2.634026877493305 | |
0.6309972475455441 | |
197.0709 | |
[M+H]+ | |
3.718844334707535 ppm | |
-7.328760000007151E-4 Da |