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. Author manuscript; available in PMC: 2017 Nov 1.
Published in final edited form as: Anal Bioanal Chem. 2016 Sep 29;408(28):8149–8161. doi: 10.1007/s00216-016-9917-x

Table 1. Compound dependent MS parameters and ion transitions for HCAA analysis.a.

Precursor ions (m/z) Product ions (m/z) DPb (V) EPc (V) CEd (V) CXPe (V)
Harman Quantitation ion 183.1 115.0 260 10 68 14
Confirmation ion 183.1 88.9 260 10 63 14
Internal standard ion 186.1 117.1 260 10 68 14
Norharman Quantitation ion 169.1 115.1 170 10 82 14
Confirmation ion 169.1 88.9 170 10 105 10
Internal standard ion 176.2 120.0 170 10 82 14
AαC Quantitation ion 184.1 167.1 51 10 31 22
Confirmation ion 184.1 140.0 51 10 43 20
Internal standard ion 187.0 169.1 51 10 31 22
MeAαC Quantitation ion 198.1 181.1 36 10 31 16
Confirmation ion 198.1 127.1 36 10 53 12
Internal standard ion 201.1 184.1 36 10 31 16
IQ Quantitation ion 199.1 184.1 56 10 35 18
Confirmation ion 199.1 157.1 56 10 47 12
Internal standard ion 202.2 184.2 56 10 35 18
Trp-P-1 Quantitation ion 212.1 167.1 41 10 55 16
Confirmation ion 212.1 195.0 41 10 32 16
Internal standard ion 215.1 168.0 41 10 55 16
Trp-P-2 Quantitation ion 198.1 181.1 36 10 31 16
Confirmation ion 198.1 127.0 36 10 53 12
Internal standard ion 201.1 183.1 36 10 31 16
Glu-P-1 Quantitation ion 199.1 92.0 121 10 45 12
Confirmation ion 199.1 172.1 121 10 34 12
Internal standard ion 202.0 92.0 121 10 45 12
Glu-P-2 Quantitation ion 185.1 168.1 126 10 35 10
Confirmation ion 185.1 78.0 126 10 49 10
Internal standard ion 188.1 171.1 126 10 35 10
PhIP Quantitation ion 225.1 210.1 111 10 39 28
Confirmation ion 225.1 115.0 111 10 61 10
Internal standard ion 228.2 210.1 111 10 39 28
a

Parameters for Harman and Norharman have been detuned to avoid saturating detector.

b

Declustering potential.

c

Entrance potential.

d

Collision energy.

e

Collision cell exit potential.