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Nist08 database

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The NIST08 database is a collection of mass spectrometry data maintained by the National Institute of Standards and Technology (NIST). It contains information on the mass spectra of various chemical compounds, which can be used as a reference for the identification and analysis of unknown samples.

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2 protocols using nist08 database

1

GC-MS Analysis of Resin Composition

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Gas chromatography experiments were carried out with a GC 6890 gas chromatograph coupled with a Hewlett Packard GC 5975B mass spectrometer (Agilent 5975B, Santa Clara, CA, USA). The GC-MS operation was performed according to the procedure described by (Chen et al., 2020 (link)). To obtain the resin component content, 0.05 g resin was dissolved in 0.5 mL of ethyl alcohol containing 50 µL tetramethylammonium hydroxide. The GC column temperature conditions were as follows: the initial column temperature was 60°C, held for 2 min, increased at 8°C min-1 to 80°C, and reached a maximum of 280°C at a rate of 2°C per min for 5 min. The helium gas flow was set at 1 ml min-1. The temperature of the injector was 260°C, and the volume was 1 µL with a 1/50 split ratio. Mass spectra were recorded under electron impact ionization at an electron energy of 70 eV in the range from m/z 30 to 600 along with solvent delay for 3 min.
Resin compositions were identified by matching experimental fragmentation patterns in mass spectra with the NIST08 database through the data processing system of Agilent Chem Station and then comparing with the relevant literature. Monoterpene and sesquiterpene content were determined by isobutylbenzene content, and diterpene content was determined by heptadecanoic acid content. We calculated the resin component content by comparing their peak areas.
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2

Headspace Analysis of Rice Flavor Volatiles

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The 7890A-7000B gas-mass spectrometer equipped with EI ion source and NIST08 database (Agilent, U.S) was used to analyze the rice flavor volatiles.
An extraction head (50/30 μm DVB/CAR/PDMS SPME fiber, Sulpelco, USA) was utilized for adsorption at 50°C for 40 min and equilibration for 20 min. The desorption time and temperature were 4 min and 250°C respectively.
For gas chromatography-mass spectrometry, a DB-WAX capillary column (30 m×0.25 mm×0.25 mm, Supeleo, USA) was used for chromatographic separation. High-purity helium (99.9999%) as the carrier gas with a flow rate of 1.0 mL/min was selected. The program was initially set to 45°C for 10 min, increased to 230°C at a rate of 6°C/min, and then held for 6 min. The mass selective detector worked in 70 eV electron impact ionization mode, with a scanning range of 33 to 450 amu. The ion source temperature was 230°C and the interface temperature was 250°C.
The volatiles were identified by matching with the reference compound spectra in the NIST mass spectrometry library and the Wiley mass spectrometry library. The experiment was done in duplicate [20] .
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