Name | Value |
---|---|
Natural Product; Alkaloid | |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | |
RYYVLZVUVIJVGH-UHFFFAOYSA-N | |
C8H10N4O2 | |
194.08037556 | |
O=C1C2=C(N=CN2C)N(C(=O)N1C)C |
Name | Value |
---|---|
FIO00568 | |
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] CBA01_Caffeine_pos_10eV.txt | |
194.08038 | |
maXis (Bruker Daltonics) | |
LC-ESI-QTOF | |
MS2 | |
4500 V | |
10 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 | |
0.3457657718751326 | |
0.3147295687856521 | |
[M+H]+ | |
195.08834556 | |
0.0 ppm | |
0.0 Da |