Name | Value |
---|---|
Natural Product; Alkaloid | |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) | |
PVNIIMVLHYAWGP-UHFFFAOYSA-N | |
C6H5NO2 | |
123.0320284 | |
O=C(O)C=1C=NC=CC1 |
Name | Value |
---|---|
FIO00517 | |
2016.01.19 (Created 2013.03.13) | |
Markus Kohlhoff, Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil) | |
CC BY-NC | |
(c) Research Center Rene Rachou (FIOCRUZ, Brazil) | |
[Raw Data] CB238_Niacin_pos_30eV_rep000006.txt | |
123.03203 | |
maXis (Bruker Daltonics) | |
LC-ESI-QTOF | |
MS2 | |
4500 V | |
30 eV | |
Nitrogen | |
8 l/min | |
200 C | |
CID | |
ESI | |
2.0 bar | |
Waters Atlantis C18 3um 2.1x150mm | |
RT | |
1-100% B in 10min | |
200ul/min | |
0.1% formic acid in water | |
methanol | |
positive | |
1.6928024546765894 | |
0.7059534558826124 | |
[M+H]+ | |
124.0399984 | |
0.0 ppm | |
0.0 Da |