Jia Wang (Presenter)
Thermo Fisher Scientific
Bio: Jia Wang received her Ph.D. in natural product chemistry. Currently she works for Thermo Fisher Scientific on clinical chemistry.
Authorship: Jia Wang, Jason Lai, Brad Hart, Xiaolei Xie, Marta Kozak
Thermo Fisher Scientific, San Jose, California, USA
| Short Abstract The research by Flow Injection Tandem Mass Spectrometry provides large quantities of information. The main advantage include no-chromatographic separation, rapid analysis time, low solvent consumption, and identification and quantitation of a large number of target analytes using their unique selected reaction monitoring transitions from precursor ions to product ions. We evaluated a meta-calculation software for automatic data processing. A total of 18 acycarnitines and 12 amino acids were evaluated for each sample. Among 280 samples evaluated, a total of 8400 calculations of concentrations were processed. The manual transcription errors were eliminated, and processing time was improved from hours to minutes. For research use only. Not for use in diagnostic procedures. |
Long Abstract
Introduction
The research by Flow Injection Tandem Mass Spectrometry provides large quantities of information. The main advantage include no-chromatographic separation, rapid analysis time, low solvent consumption, and identification and quantitation of a large number of target analytes using their unique selected reaction monitoring transitions from precursor ions to product ions. We evaluated a meta-calculation software for automatic data processing. A total of 18 acycarnitines and 12 amino acids were evaluated for each sample. Among 280 samples evaluated, a total of 8400 calculations of concentrations were processed. The manual transcription errors were eliminated, and processing time was improved from hours to minutes.
Methods
Sample Introduction: Flow injection was performed by HPLC with open connection tube to introduce samples without chromatographic separation. The typical injection cycle time was below three minutes per sample. Data Acquisition: The Tandem MS was used in Selected Reaction Monitoring (SRM) mode for the detection of acylcarnitines, amino acids and their corresponding isotopic internal standards.
Results
We compared the results obtained from a new meta-calculation software with those from a multi-steps manual process on 280 samples for a total 8400 calculations (30 analytes; 18 acycarnitines and 12 amino acids). The new software significantly reduced the processing time from hours to minutes.
1. Acylcarnitines
The acylcarnitines evaluated were C0/C0-D9; C2/C2-D3, C3/C3-D3, C3DC/C3-D3, C4/C4-D3, C4OH/ C4-D3, C5/C5-D9, C5OH/C5OH-D3, C5DC/C5DC-D3, C6/C5-D9, C8/C8-D3, C10/C8-D3, C12/C12-D9, C14/C14-D9, C16/C16-D3, C16OH/C16-D3, C18/C18-D3, and C18OH/C18-D3. (Where each pair represents a specific analyte/stable isotope-labeled internal standard)
The calculated concentration ranges of acylcarnitines in these 280 samples were C0 (12.5 to 114.40 µmol/L), C2 (5.92 to 83.51 µmol/L), C3 (0.68 to 20.02 µmol/L), C3DC (0 to 1.81 µmol/L), C4 (0.08 to 8.05 µmol/L), C4OH (0.04 to 2.27 µmol/L), C5 (0.06 to 4.80 µmol/L), C5OH (0.38 to 5.10 µmol/L), C5DC (0.02 to 4.47 µmol/L), C6 (0.03 to 4.09 µmol/L), C8 (0.01 to 4.76 µmol/L), C10 (0.01 to 4.83 µmol/L), C12 (0.03 to 4.43 µmol/L), C14 (0.04 to 4.88 µmol/L), C16 (0.38 to 16.49 µmol/L), C16OH (0 to 1.03 µmol/L), C18 (0.41 to 8.00 µmol/L), and C18OH (0 to 2.16 µmol/L).
This offline automated data processing research tool shows a good agreement with the manual calculation process for these 18 acycarnitines.
2. Amino Acids
The amino acids evaluated were Alanine, Arginine, Aspartic acid, Citrulline, Glutamic acid, Glycine, Leucine, Methionine, Ornithine, Phenylalanine, Tyrosine, and Valine. The corresponding internal standards were Alanine-D4, Arginine-D413C, Aspartic acid-D3, Citrulline-D2, Glutamic acid-D3, Glycine-13C15N, Leucine-D3, Methionine-D3, Ornithine-D2, Phenylalanine-13C6, Tyrosine-13C6, and Valine-D8, respectively.
The calculated concentration ranges of amino acids in these 280 samples were Alanine (261.31 to 1103.92 µmol/L), Arginine (8.24 to 528.07 µmol/L), Aspartic acid (52.52 to 104.37 µmol/L), Citrulline (20.31 to 375.10µmol/L), Glutamic acid (266.79 to 460.51 µmol/L), Glycine (224.62 to 397.19 µmol/L), Leucine (93.61 to 838.67 µmol/L), Methionine (20.35 to 306.97 µmol/L), Ornithine (115.72 to 333.86 µmol/L), Phenylalanine (44.67 to 481.95 µmol/L), Tyrosine (36.63 to 895.31 µmol/L), and Valine (98.10 to 717.85 µmol/L).
This offline automated data processing research tool shows a good agreement with the manual calculation process for these 12 amino acids.
For research use only. Not for use in diagnostic procedures.
References & Acknowledgements:
| Description | Y/N | Source |
| Grants | no | |
| Salary | yes | |
| Board Member | no | |
| Stock | yes | |
| Expenses | no |
IP Royalty: no
| Planning to mention or discuss specific products or technology of the company(ies) listed above: | no |