GCMS
More information
WebinarsAbout usContact usTerms of use
LabRulez s.r.o. All rights reserved. Content available under a CC BY-SA 4.0 Attribution-ShareAlike
Author
James Little/Mass Spec Interpretation Services
James Little/Mass Spec Interpretation Services
My main interest is the identification of organic compounds by mass spectrometry in organic mixtures.
Tags
Video
Academy
Webinars
LinkedIn Logo

Wiley Seminar - Part V: Creating and Sharing User EI and MS/MS Libraries

Tu, 23.3.2021
| Original article from: Mass Spec Interpretation Services/James Little
A demo of creating a NIST user library is presented. In addition, an inexpensive but powerful method for combining, updating, distributing, and archiving it over a corporate network is discussed.
Video placeholder

Mass Spec Interpretation Services/James Little: Wiley Seminar - Part V: Creating and Sharing User EI and MS/MS Libraries

I presented a 5-part Wiley Webinar Series in August-September, 2020 on EI library searches. The series demonstrates the effective use of NIST software such as MS Search, MS Interpreter, and AMDIS with the Wiley, NIST, and user-created libraries.

The Part V will cover:

Detailed Handouts including tables of content are available in the LabRulezGCMS library.

  • Webinar topics
  • Help Files for NIST Search
  • General Windows commands/functions
  • Creating a user library spectrum
  • Creating a user library spectrum: opening edit spectrum
  • Creating a user library spectrum: spectrum information window
  • Creating a user library spectrum: adding comments and synonyms
  • Creating a user library spectrum: using windows notepad and tags
  • Creating a user library spectrum: comment field display with user tags
  • Creating a user library spectrum: comment field display showing user tags
  • Tags included with Wiley libraries
  • Possible quality checks before adding spectra to user libraries
  • Addition of spectrum to user library or creating new library
  • (Re)Index Indices for structure, hybrid search and InChIKey for user library
  • NIST formatted user libraries at Eastman Chemical Company
  • Software essentials and approach
  • Excerpt of typical DOS script used in approach
  • Webinar References
  • Acknowledgements

The past sections have focused on:

James Little/Mass Spec Interpretation Services
LinkedIn Logo
 

Related content

Through-container analysis with Raman spectroscopy

Applications
| 2025 | Metrohm
Instrumentation
RAMAN Spectroscopy
Manufacturer
Metrohm
Industries
Materials Testing

Comparative Analysis of Air Sampling Strategies for VOC Monitoring using TD- GCMS Along with Chemometrics Study to Enhance Understanding of Complex Samples

Posters
| 2025 | Agilent Technologies (ASMS)
Instrumentation
GC/MSD, GC/SQ, Thermal desorption
Manufacturer
Agilent Technologies, Markes
Industries
Environmental

Acetaldehyde, Benzene, and Limonene in Recycled PET (rPET) Bottles by Headspace-GCMS

Applications
| 2025 | Shimadzu
Instrumentation
HeadSpace, GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Environmental

Analysis of Phthalates Using the Agilent 5977C GC/MSD with Hydrogen Carrier Gas

Applications
| 2025 | Agilent Technologies
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Agilent Technologies
Industries
Materials Testing

Simultaneous Analysis of 19 Organic Solvents and Additives in Lithium-Ion Battery Electrolytes Using GC-MS

Applications
| 2025 | Shimadzu
Instrumentation
GC/MSD, GC/SQ, Sample Preparation
Manufacturer
Shimadzu
Industries
Energy & Chemicals
 

Related articles

Am I Paying Too Much for my Nitrogen Gas Cylinders?
Article | Product

Am I Paying Too Much for my Nitrogen Gas Cylinders?

Nitrogen cylinders come with hidden costs—rentals, refills, delivery, and waste. A nitrogen generator offers a safer, cheaper, and more efficient long-term solution.
Organomation
tag
share
more
EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape
Article | Environment

EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape

Pesticide pollution from intensive farming affects water sources. In-situ woodchip bioreactors offer a passive, low-cost solution to reduce contamination at the source.
ALS Czech Republic
tag
share
more
Protecting children’s health – Addressing chemical exposures
Article | Health

Protecting children’s health – Addressing chemical exposures

ATHLETE scientists urged EU policymakers to address chemical exposures harming children’s health and called for stronger regulation and investment in exposome research across Europe.
RECETOX - Centrum pro výzkum toxických látek v prostředí
tag
share
more
Are you scientifically prepared for the new mushroom-picking season?
Article | Scientists

Are you scientifically prepared for the new mushroom-picking season?

Chemist Roman Kysilka shares how mushrooms became both a scientific passion and a forest pursuit—combining chromatography, history, and a deep respect for these unique organisms.
Watrex Praha
tag
share
more
 

Related content

Through-container analysis with Raman spectroscopy

Applications
| 2025 | Metrohm
Instrumentation
RAMAN Spectroscopy
Manufacturer
Metrohm
Industries
Materials Testing

Comparative Analysis of Air Sampling Strategies for VOC Monitoring using TD- GCMS Along with Chemometrics Study to Enhance Understanding of Complex Samples

Posters
| 2025 | Agilent Technologies (ASMS)
Instrumentation
GC/MSD, GC/SQ, Thermal desorption
Manufacturer
Agilent Technologies, Markes
Industries
Environmental

Acetaldehyde, Benzene, and Limonene in Recycled PET (rPET) Bottles by Headspace-GCMS

Applications
| 2025 | Shimadzu
Instrumentation
HeadSpace, GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Environmental

Analysis of Phthalates Using the Agilent 5977C GC/MSD with Hydrogen Carrier Gas

Applications
| 2025 | Agilent Technologies
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Agilent Technologies
Industries
Materials Testing

Simultaneous Analysis of 19 Organic Solvents and Additives in Lithium-Ion Battery Electrolytes Using GC-MS

Applications
| 2025 | Shimadzu
Instrumentation
GC/MSD, GC/SQ, Sample Preparation
Manufacturer
Shimadzu
Industries
Energy & Chemicals
 

Related articles

Am I Paying Too Much for my Nitrogen Gas Cylinders?
Article | Product

Am I Paying Too Much for my Nitrogen Gas Cylinders?

Nitrogen cylinders come with hidden costs—rentals, refills, delivery, and waste. A nitrogen generator offers a safer, cheaper, and more efficient long-term solution.
Organomation
tag
share
more
EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape
Article | Environment

EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape

Pesticide pollution from intensive farming affects water sources. In-situ woodchip bioreactors offer a passive, low-cost solution to reduce contamination at the source.
ALS Czech Republic
tag
share
more
Protecting children’s health – Addressing chemical exposures
Article | Health

Protecting children’s health – Addressing chemical exposures

ATHLETE scientists urged EU policymakers to address chemical exposures harming children’s health and called for stronger regulation and investment in exposome research across Europe.
RECETOX - Centrum pro výzkum toxických látek v prostředí
tag
share
more
Are you scientifically prepared for the new mushroom-picking season?
Article | Scientists

Are you scientifically prepared for the new mushroom-picking season?

Chemist Roman Kysilka shares how mushrooms became both a scientific passion and a forest pursuit—combining chromatography, history, and a deep respect for these unique organisms.
Watrex Praha
tag
share
more
 

Related content

Through-container analysis with Raman spectroscopy

Applications
| 2025 | Metrohm
Instrumentation
RAMAN Spectroscopy
Manufacturer
Metrohm
Industries
Materials Testing

Comparative Analysis of Air Sampling Strategies for VOC Monitoring using TD- GCMS Along with Chemometrics Study to Enhance Understanding of Complex Samples

Posters
| 2025 | Agilent Technologies (ASMS)
Instrumentation
GC/MSD, GC/SQ, Thermal desorption
Manufacturer
Agilent Technologies, Markes
Industries
Environmental

Acetaldehyde, Benzene, and Limonene in Recycled PET (rPET) Bottles by Headspace-GCMS

Applications
| 2025 | Shimadzu
Instrumentation
HeadSpace, GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Environmental

Analysis of Phthalates Using the Agilent 5977C GC/MSD with Hydrogen Carrier Gas

Applications
| 2025 | Agilent Technologies
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Agilent Technologies
Industries
Materials Testing

Simultaneous Analysis of 19 Organic Solvents and Additives in Lithium-Ion Battery Electrolytes Using GC-MS

Applications
| 2025 | Shimadzu
Instrumentation
GC/MSD, GC/SQ, Sample Preparation
Manufacturer
Shimadzu
Industries
Energy & Chemicals
 

Related articles

Am I Paying Too Much for my Nitrogen Gas Cylinders?
Article | Product

Am I Paying Too Much for my Nitrogen Gas Cylinders?

Nitrogen cylinders come with hidden costs—rentals, refills, delivery, and waste. A nitrogen generator offers a safer, cheaper, and more efficient long-term solution.
Organomation
tag
share
more
EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape
Article | Environment

EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape

Pesticide pollution from intensive farming affects water sources. In-situ woodchip bioreactors offer a passive, low-cost solution to reduce contamination at the source.
ALS Czech Republic
tag
share
more
Protecting children’s health – Addressing chemical exposures
Article | Health

Protecting children’s health – Addressing chemical exposures

ATHLETE scientists urged EU policymakers to address chemical exposures harming children’s health and called for stronger regulation and investment in exposome research across Europe.
RECETOX - Centrum pro výzkum toxických látek v prostředí
tag
share
more
Are you scientifically prepared for the new mushroom-picking season?
Article | Scientists

Are you scientifically prepared for the new mushroom-picking season?

Chemist Roman Kysilka shares how mushrooms became both a scientific passion and a forest pursuit—combining chromatography, history, and a deep respect for these unique organisms.
Watrex Praha
tag
share
more
 

Related content

Through-container analysis with Raman spectroscopy

Applications
| 2025 | Metrohm
Instrumentation
RAMAN Spectroscopy
Manufacturer
Metrohm
Industries
Materials Testing

Comparative Analysis of Air Sampling Strategies for VOC Monitoring using TD- GCMS Along with Chemometrics Study to Enhance Understanding of Complex Samples

Posters
| 2025 | Agilent Technologies (ASMS)
Instrumentation
GC/MSD, GC/SQ, Thermal desorption
Manufacturer
Agilent Technologies, Markes
Industries
Environmental

Acetaldehyde, Benzene, and Limonene in Recycled PET (rPET) Bottles by Headspace-GCMS

Applications
| 2025 | Shimadzu
Instrumentation
HeadSpace, GC/MSD, GC/SQ
Manufacturer
Shimadzu
Industries
Environmental

Analysis of Phthalates Using the Agilent 5977C GC/MSD with Hydrogen Carrier Gas

Applications
| 2025 | Agilent Technologies
Instrumentation
GC/MSD, GC/SQ
Manufacturer
Agilent Technologies
Industries
Materials Testing

Simultaneous Analysis of 19 Organic Solvents and Additives in Lithium-Ion Battery Electrolytes Using GC-MS

Applications
| 2025 | Shimadzu
Instrumentation
GC/MSD, GC/SQ, Sample Preparation
Manufacturer
Shimadzu
Industries
Energy & Chemicals
 

Related articles

Am I Paying Too Much for my Nitrogen Gas Cylinders?
Article | Product

Am I Paying Too Much for my Nitrogen Gas Cylinders?

Nitrogen cylinders come with hidden costs—rentals, refills, delivery, and waste. A nitrogen generator offers a safer, cheaper, and more efficient long-term solution.
Organomation
tag
share
more
EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape
Article | Environment

EnviroMail™ 17/Europe: Protecting Drinking Water Sources with Bioreactors: An Innovative Solution to the Problem of Pesticides in the Landscape

Pesticide pollution from intensive farming affects water sources. In-situ woodchip bioreactors offer a passive, low-cost solution to reduce contamination at the source.
ALS Czech Republic
tag
share
more
Protecting children’s health – Addressing chemical exposures
Article | Health

Protecting children’s health – Addressing chemical exposures

ATHLETE scientists urged EU policymakers to address chemical exposures harming children’s health and called for stronger regulation and investment in exposome research across Europe.
RECETOX - Centrum pro výzkum toxických látek v prostředí
tag
share
more
Are you scientifically prepared for the new mushroom-picking season?
Article | Scientists

Are you scientifically prepared for the new mushroom-picking season?

Chemist Roman Kysilka shares how mushrooms became both a scientific passion and a forest pursuit—combining chromatography, history, and a deep respect for these unique organisms.
Watrex Praha
tag
share
more
Other projects
LCMS
ICPMS
Follow us
More information
WebinarsAbout usContact usTerms of use
LabRulez s.r.o. All rights reserved. Content available under a CC BY-SA 4.0 Attribution-ShareAlike