A comparison of high- and low-resolution gas chromatography-mass spectrometry for herbal product classification: A case study with Ocimum essential oils.
Evelyn J AbrahamE Diane WallaceJoshua J KelloggPublished in: Phytochemical analysis : PCA (2023)
GC-Orbitrap instrumentation improves compound detection, dynamic range, and feature annotation in essential oil analysis. However, considering both high- and low-resolution data may improve reliable marker compound selection, as GC-Orbitrap analysis alone did not improve unsupervised separation of two Ocimum species compared to GC-SQ data.
Keyphrases
- gas chromatography
- gas chromatography mass spectrometry
- machine learning
- mass spectrometry
- liquid chromatography
- essential oil
- high resolution
- deep learning
- electronic health record
- tandem mass spectrometry
- big data
- high resolution mass spectrometry
- ultra high performance liquid chromatography
- artificial intelligence
- solid phase extraction
- data analysis
- quantum dots
- genetic diversity
- sensitive detection