News from LabRulezGCMS Library - Week 34, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 18th August 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!

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This week we bring you poster by Agilent Technologies / ASMS and application note by Shimadzu!

1. Agilent Technologies / ASMS: New Pollutant Screening of Environmental Samples Using High-Resolution GC/Q-TOF and Accurate Mass Spectral Library of Emerging Environmental Pollutants 

• Poster
• Full PDF for download

This paper conducts qualitative and semi - quantitative analysis of complex GC/Q-TOF sample data by using high-resolution, accurate-mass gas chromatography/quadrupole time-of-flight mass spectrometry (GC/Q-TOF), an accurate mass spectral library of environmental pollutants specifically created for emerging pollutant screening, and analytical software with a screening process platform. Actual environmental water samples are used to verify the sensitivity, accuracy, and spiked recovery rate of the solution. All results confirm that this solution is simple, stable, and effective, providing technical support for emerging pollutant screening.

Experimental

Instrument Analysis 

The samples were analyzed by Agilent 8890 GC and 7250 high resolution accurate mass GC/Q-TOF system, It was configurated with a mid-column backflush setup (Figure 1). A 55.5 - min retention time locked GC oven temperature program is utilized which is listed in Table 1. The key mass spectrometry parameters of the GC/Q-TOF are as follows: It operates in the Electron Ionization (EI) mode with an energy of 70 electron volts, conducts detection in the time-of-flight scan mode within a mass-to-charge ratio range of 50 - 1000. The spectral acquisition rate is 5 Hz, and both the interface temperature and the source temperature are set at 280 °C. Data analysis is performed with the assistance of MassHunter data analysis software. The high-resolution accurate mass spectral library employed in the screening process is independently created by the laboratory.

Data Analysis 

• The data processing used Agilent Masshunter data analysis software, including Suremass. 
• The target screening of new pollutants was based on an independently created by the laboratory GC/Q-TOF PCDL library¹.

Conclusions 

• Based on the currently collected list of new pollutants, a truly meaningful new pollutant PCDL high-resolution spectral library has been created. 
• This work demonstrated a total workflow for targeted screening and semi-quantification in real water sample. 
• The confidence in identification of new pollutants was enhanced by stable RT and excellent mass accuracy as a result of using an RTL backflush method and highresolution accurate mass measurement.

2. Shimadzu: Analysis of SAF Using Comprehensive Two- Dimensional Gas Chromatography (GC× GC) 

• Application note
• Full PDF for download

User Benefits

• By comparing chromatograms obtained as two-dimensional images, it can be utilized for quality control Inspection of SAF.
• Changing the column combination customizes separation characteristics to the sample composition.
• Utilizing the FASST (Fast Automated Scan/SIM Type) allows for the simultaneous analysis of the composition of SAF and the quantitative analysis of antioxidants.

SAF (Sustainable Aviation Fuel) produced from waste cooking oil, used paper, and sugarcane has gained attention in recent years from the perspective of achieving a carbon neutral society. The physical properties of SAF,such as combustibility, vary depending on its components. Therefore, component analysis of SAF is crucial; however, since SAF is a mixture of various hydrocarbons, complete separation of each component is extremely challenging. Comprehensive two-dimensional gas chromatography (GC×GC), which utilizes the separation characteristics of two different types of columns, is an effective method for analyzing SAF with such a complex composition. Additionally, the GCMS-QP2050 enables ultra-fast scanning (30,000 u/sec), which improves the separation of adjacent peaks and allows for high-precision qualitative analysis(Application News No.01-00788-EN).

In this application, two types of SAF (A and B) and one intermediate product from the SAF production process (C) were measured using a combination of GC×GC with a non-polar column as the first column and a medium-polarity column as the second column. The two-dimensional images allow for a visual representation of the composition distribution, making quality control Inspection. Moreover, high separation of paraffins and naphthenes using a combination of a medium-polar column as the first column and a non-polar column asthe second column, as well as the quantification of antioxidants in SAF, which are regulated by concentration in ASTM D2425 will be introduced.

System Configuration

• GC Model: Nexis GC-2030 / AOC-30i
• MS Model: GCMS-QP2050 (TMP exhaust: 255 L/sec)
• Injection Port: SPL
• Modulator: ZX1 thermal modulator (ZOEX corp.)
• Nitrogen generator: MT-24F (System Instruments Co., Ltd.)
• Software:
  • Labsolutions^TM GCMS
  • GC Image (GC Image, LLC)
• Library: NIST Mass Spectral Library

Conclusion

Three SAF samples were measured using a combination of lowpolar to medium polar columns and compared the twodimensional images. The two-dimensional images allow for intuitive comprehension of the distribution of each component, making it easy to identify differences in composition and conducting quality control Inspection. Additionally, in the measurement of SAF using a combination of medium-polar to non-polar columns, the separation of paraffins and naphthenes was improved. Furthermore, by utilizing the FASST, composition analysis of SAF and quantitative analysis of antioxidants were simultaneously performed, which are regulated by concentration in ASTM D2425.