Gas Chromatography-Tandem Mass Spectrometry of Lignin Pyrolyzates with Dopant-Assisted Atmospheric Pressure Chemical Ionization and Molecular Structure Search with CSI:FingerID.
Evan A LarsonCarolyn P HutchinsonYoung-Jin LeePublished in: Journal of the American Society for Mass Spectrometry (2018)
Dopant-assisted atmospheric pressure chemical ionization (dAPCI) is a soft ionization method rarely used for gas chromatography-mass spectrometry (GC-MS). The current study combines GC-dAPCI with tandem mass spectrometry (MS/MS) for analysis of a complex mixture such as lignin pyrolysis analysis. To identify the structures of volatile lignin pyrolysis products, collision-induced dissociation (CID) MS/MS using a quadrupole time-of-flight mass spectrometer (QTOFMS) and pseudo MS/MS through in-source collision-induced dissociation (ISCID) using a single stage TOFMS are utilized. To overcome the lack of MS/MS database, Compound Structure Identification (CSI):FingerID is used to interpret CID spectra and predict best matched structures from PubChem library. With this approach, a total of 59 compounds were positively identified in comparison to only 22 in NIST database search of GC-EI-MS dataset. This study demonstrates the effectiveness of GC-dAPCI-MS/MS to overcome the limitations of traditional GC-EI-MS analysis when EI-MS database is not sufficient. Graphical Abstract ᅟ.
Keyphrases
- gas chromatography
- ms ms
- tandem mass spectrometry
- ultra high performance liquid chromatography
- gas chromatography mass spectrometry
- mass spectrometry
- high performance liquid chromatography
- liquid chromatography
- high resolution
- high resolution mass spectrometry
- simultaneous determination
- liquid chromatography tandem mass spectrometry
- solid phase extraction
- randomized controlled trial
- ionic liquid
- multiple sclerosis
- particulate matter
- high glucose
- oxidative stress
- adverse drug
- diabetic rats
- systematic review
- anaerobic digestion
- single molecule