Fast Pain Panel ESI-
LC Conditions
Column
Kinetex 2.6 µm Biphenyl 100 Å, LC Column 30 x 2.1 mm, Ea
Brand
Kinetex
Part No
00A-4622-AN
Phase Name
Biphenyl
Elution Type
Gradient
Mobile Phase
A: 10mM ammonium formate in water
B: 0.1% formic acid in methanol
Gradient Profile
Step No.
Time(min)
%A
%B
1
0
90
10
2
0.2
90
10
3
2.5
10
90
4
2.9
10
90
5
3
90
10
6
3.5
90
10
Flow Rate
1.00 mL/min
Temperature
35°C
Detection
Tandem Mass Spec (MS-MS) @ (22°C)
Detection Info
Order Items Used in This Application
- 1. Butalbital
- 2. Phenobarbital
- 3. Secobarbital
- 4. THC-COOH
- 5. THC-COOH-D9
- 6. Secobarbital-D5
- 7. Butalbital-D5
-OEChem-06211003142D<br><br> 32 32 0 0 0 0 0 0 0999 V2000<br> 2.2680 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.7320 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.0000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.1340 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.8660 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.0000 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.5000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.0000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.5000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.1340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.8660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.5000 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.0000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.5000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.0000 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.0000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.9750 0.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.9750 1.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.6200 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.0826 1.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.3923 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.0369 2.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 4.8100 3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.9631 3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.0000 2.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.3800 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 3.0000 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.5970 -1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 5.4030 -1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.1900 0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 2.3100 2.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 1.3800 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br> 1 10 2 0 0 0 0<br> 2 11 2 0 0 0 0<br> 3 15 2 0 0 0 0<br> 4 10 1 0 0 0 0<br> 4 15 1 0 0 0 0<br> 4 28 1 0 0 0 0<br> 5 11 1 0 0 0 0<br> 5 15 1 0 0 0 0<br> 5 29 1 0 0 0 0<br> 6 7 1 0 0 0 0<br> 6 9 1 0 0 0 0<br> 6 10 1 0 0 0 0<br> 6 11 1 0 0 0 0<br> 7 8 1 0 0 0 0<br> 7 17 1 0 0 0 0<br> 7 18 1 0 0 0 0<br> 8 12 1 0 0 0 0<br> 8 13 1 0 0 0 0<br> 8 19 1 0 0 0 0<br> 9 14 1 0 0 0 0<br> 9 20 1 0 0 0 0<br> 9 21 1 0 0 0 0<br> 12 22 1 0 0 0 0<br> 12 23 1 0 0 0 0<br> 12 24 1 0 0 0 0<br> 13 25 1 0 0 0 0<br> 13 26 1 0 0 0 0<br> 13 27 1 0 0 0 0<br> 14 16 2 0 0 0 0<br> 14 30 1 0 0 0 0<br> 16 31 1 0 0 0 0<br> 16 32 1 0 0 0 0<br>M END
Compound Name
Butalbital
CID
2481
Molecular Formula
C11H16N2O3
Molecular Weight
224
No. Hydrogen Bond Acceptors
3
No. Hydrogen Bond Donors
2
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