Name | Value |
---|---|
InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19) | |
HDDSHPAODJUKPD-UHFFFAOYSA-N | |
C15H13N3O2S | |
299.072847656 | |
OC(=NC1=NC=2C=CC(SC=3C=CC=CC3)=CC2N1)OC |
External Identifier | Value |
---|---|
3334 |
Name | Value |
---|---|
CO000194 | |
2016.01.19 (Created 2008.07.15, modified 2012.11.20) | |
Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant | |
CC BY-SA | |
Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g | |
299.07285 | |
Micromass Q-TOF II | |
LC-ESI-QTOF | |
MS2 | |
40 eV | |
ESI | |
positive | |
1.5111739600003 | |
0.589163273576625 | |
300.08079 | |
[M+H]+ | |
0.09216184762427697 ppm | |
-2.7656000042952655E-5 Da |