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Table 2015.14.
Conditions for MS transitions on a Waters TQ-S along with retention time windows
(while mass transitions are expected to remain the same across instrument platforms, the other
parameters may need to be adjusted to maximize sensitivity)
Compound
Function
No.
Start
(min)
End
(min)
Molecular
Ion
Fragment
Ion
Cone
Voltage
Collision
Energy (V)
Dwell Time
(sec)
Nicotinamide*
1
2.71
3.20
122.9
80.1
20.0
16.0
0.025
Nicotinamide
1
2.71
3.20
122.9
96.0
20.0
16.0
0.025
2
H
4
-Nicotinamide*
1
2.71
3.20
127.0
84.0
20.0
16.0
0.025
2
H
4
-Nicotinamide
1
2.71
3.20
127.0
100.0
20.0
16.0
0.025
Nicotinic Acid*
2
0.50
1.70
124.0
80.0
20.0
16.0
0.025
Nicotinic Acid
2
0.50
1.70
124.0
106.0
20.0
16.0
0.025
2
H
4
-Nicotinic Acid*
2
0.50
1.70
128.0
84.1
20.0
16.0
0.025
2
H
4
-Nicotinic Acid
2
0.50
1.70
128.0
109.0
20.0
16.0
0.025
Pyridoxal
3
1.76
2.70
168.0
94.0
20.0
22.0
0.025
Pyridoxal*
3
1.76
2.70
168.0
150.0
20.0
12.0
0.025
2
H
3
-Pyridoxal
3
1.76
2.70
171.0
97.0
20.0
22.0
0.025
2
H
3
-Pyridoxal*
3
1.76
2.70
171.0
153.0
20.0
12.0
0.025
Pyridoxamine
4
0.50
1.70
169.0
134.0
20.0
20.0
0.025
Pyridoxamine*
4
0.50
1.70
169.0
152.0
20.0
12.0
0.025
2
H
3
-Pyridoxamine
4
0.50
1.70
172.0
136.0
20.0
20.0
0.025
2
H
3
-Pyridoxamine*
4
0.50
1.70
172.0
155.0
20.0
12.0
0.025
Pyridoxine*
5
2.41
3.00
170.0
134.0
20.0
18.0
0.025
Pyridoxine
5
2.41
3.00
170.0
152.0
20.0
12.0
0.025
13
C
4
-Pyridoxine*
5
2.41
3.00
174.0
138.0
20.0
18.0
0.025
13
C
4
-Pyridoxine
5
2.41
3.00
174.0
156.0
20.0
12.0
0.025
Thiamine
6
3.01
3.60
265.1
81.0
20.0
30.0
0.025
Thiamine*
6
3.01
3.60
265.1
122.0
20.0
12.0
0.025
13
C
4
-Thiamine
6
3.01
3.60
269.0
81.0
20.0
30.0
0.025
13
C
4
-Thiamine*
6
3.01
3.60
269.0
122.0
20.0
12.0
0.025
Riboflavin
7
4.21
5.00
377.0
172.0
20.0
35.0
0.025
Riboflavin*
7
4.21
5.00
377.0
243.0
20.0
20.0
0.025
13
C
4
,
15
N
2
-Riboflavin
7
4.21
5.00
383.0
175.0
20.0
35.0
0.025
13
C
4
,
15
N
2
-Riboflavin*
7
4.21
5.00
383.0
249.0
20.0
20.0
0.025
*Indicates primary transition used in quantitation.
Candidates for 2016 Method of the Year
197