Caffeine in Ground Coffee Beans on Kinetex 2.6µm C18 100 x 4.6mm ID
LC Conditions
Column
Kinetex 2.6 µm C18 100 Å, LC Column 100 x 4.6 mm, Ea
Brand
Kinetex
Part No
00D-4462-E0
Phase Name
C18
Elution Type
Gradient
Mobile Phase
A: 0.1% phosphoric acid in water
B: 0.1% phosphoric acid in acetonitrile
Gradient Profile
Step No.
Time(min)
%A
%B
1
0
95
5
2
0.67
95
5
3
2.67
60
40
4
4.33
60
40
5
5
5
95
6
5.01
95
5
7
7
95
5
Flow Rate
1.80 mL/min
Temperature
0°C
Detection
UV-Vis Abs.-Diode Array (PDA) @ (22°C)
Detection Info
Order Items Used in This Application
- 1. Caffeine
-OEChem-06211003142D<br><br> 24 25 0 0 0 0 0 0 0999 V2000<br> 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.7320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.5443 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.5443 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.1279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.8550 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.7479 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.1120 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.7320 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.3520 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.4443 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 6.0476 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.2656 1.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 1 9 2 0 0 0 0<br> 2 10 2 0 0 0 0<br> 3 8 1 0 0 0 0<br> 3 10 1 0 0 0 0<br> 3 12 1 0 0 0 0<br> 4 7 1 0 0 0 0<br> 4 11 1 0 0 0 0<br> 4 13 1 0 0 0 0<br> 5 9 1 0 0 0 0<br> 5 10 1 0 0 0 0<br> 5 14 1 0 0 0 0<br> 6 8 1 0 0 0 0<br> 6 11 2 0 0 0 0<br> 7 8 2 0 0 0 0<br> 7 9 1 0 0 0 0<br> 11 15 1 0 0 0 0<br> 12 16 1 0 0 0 0<br> 12 17 1 0 0 0 0<br> 12 18 1 0 0 0 0<br> 13 19 1 0 0 0 0<br> 13 20 1 0 0 0 0<br> 13 21 1 0 0 0 0<br> 14 22 1 0 0 0 0<br> 14 23 1 0 0 0 0<br> 14 24 1 0 0 0 0<br>M END
Compound Name
Caffeine
CID
2519
Molecular Formula
C8H10N4O2
Molecular Weight
194
No. Hydrogen Bond Acceptors
3
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