Mass Spec Calculator Pro 5.1.1.35
Description
Mass Spec Calculator Pro: The Ultimate Tool for Interpreting Unknown GC/MS Spectra
If you're a chemist or a student of chemistry, you know how challenging it can be to interpret unknown GC/MS spectra. But with Mass Spec Calculator Pro, you can make sense of even the most complex spectra quickly and easily.
Mass Spec Calculator Pro is a free Windows program that assists in the interpretation of unknown GC/MS spectra. With this software, chemical structures can be drawn on screen, read from molfiles or pasted from a SMILES string and then interactively fragmented as desired by breaking selected bonds. The resulting masses and compositions are displayed in each case.
Both manual and autofragmentation can be used with Mass Spec Calculator Pro. Autofragmented results can be compared with a known mass spectrum to help identify compounds more accurately.
The program contains additional utilities for the examination of isotope profiles for an ion, for the determination of possible elemental compositions for a given mass, and for the automated digitizing of graphic spectrum images to a mass-intensity list for further analysis.
Seamless Integration with NIST MSSearch Program
Mass Spec Calculator Pro is designed for seamless integration with the NIST MSSearch program and either the full or free demo NIST Library. Both structures and spectra can be searched directly within this software.
A chemical structure and potential mass spectrum can also be sent to the NIST MSInterpreter utility for additional analysis. And if you need access to detailed information about any compound on PubChem, simply click on "Send Structure" button within Mass Spec Calculator Pro interface.
Full Helpfiles Provided
Full helpfiles are provided within Mass Spec Calculator Pro so that users have all necessary information at their fingertips when using this software. Support is also available as needed should any issues arise during use.
Free Download Available
MSCPro is free but requires an installation code which will be sent by email upon download completion. If downloaded directly without entering an email address during download process then above code will need to entered manually after installation completes.
Features:
- Free Windows program
- Assists in interpretation of unknown GC/MS spectra
- Chemical structures drawn on screen
- Structures read from molfiles or pasted from SMILES string
- Interactively fragmented as desired by breaking selected bonds
- Resulting masses & compositions displayed in each case.
- Both manual & autofragmentation available.
- Autofragmented results compared w/ known mass spectrum.
- Additional utilities included:
- Examination of isotope profiles
- Determination possible elemental compositions
- Automated digitizing graphic spectrum images
- Full integration w/NIST MSSearch program & either full/free demo NIST Library.
- Chemical structure & potential mass spectrum sent to NIST MSInterpreter utility
- Current structure on screen sent w/single click to PubChem site.
Benefits:
1) Saves time interpreting complex GC/MS spectra;
2) Provides accurate identification compounds;
3) Offers additional utilities not found elsewhere;
4) Seamless integration w/NIST MSSearch program;
5) Easy access detailed information about any compound via PubChem site;
6) Full help files provided; support available if needed;
7) Free download available.
Conclusion:
In conclusion, Mass Spec Calculator Pro offers chemists an easy-to-use tool that saves time interpreting complex GC/MS spectra while providing accurate identification compounds through its interactive fragmentation feature along with other useful utilities such as examination isotopes profiles determination possible elemental composition automated digitizing graphic spectrums images etc., all seamlessly integrated into one powerful package!
Full spec
Publisher | Quadtech Associates |
Publisher site | https://www.quadtechassociates.com |
Release date | 2019-11-14 |
Date added | 2019-11-14 |
Category | Educational Software |
Sub category | Science Software |
Version | 5.1.1.35 |
Os requirements | Windows 10, Windows 2003, Windows 8, Windows Vista, Windows, Windows 7, Windows XP |
Requirements | None |
Price | Free |
Downloads per week | 2 |
Total downloads | 25 |
Comments:
I downloaded Mass Spec Calculator Pro and it's been a great tool for my research. Very user-friendly and accurate calculations!
I agree, Michael! This software has greatly reduced the time I spend on manual calculations. Highly recommended!
I've been using Mass Spec Calculator Pro for a few months now and it's been a game-changer for my lab work. Can't imagine working without it!
The interface of this software is very intuitive and clean. Makes it easy to navigate and perform calculations.
I appreciate the regular updates and bug fixes provided by the developers. Shows they care about their product and user satisfaction.
I am a beginner in mass spectrometry and this software has been a valuable learning tool. The educational resources included are fantastic!
The accuracy of the calculations is impressive. I compared results with other software, and Mass Spec Calculator Pro always comes out on top.
One feature that I find particularly useful is the ability to customize different mass spectrometer parameters. Great flexibility!
I wish the software had a more detailed user manual. It would be helpful for users who are new to mass spec calculations.
I agree, Natalie. A comprehensive user manual could enhance the overall user experience, especially for beginners.
The mass spectrum visualization feature is fantastic! It allows me to analyze and interpret results more efficiently.
The customer support team is very responsive and helpful. They promptly address any issues or questions I have.
Mass Spec Calculator Pro has become an essential tool in my research. It has greatly improved the accuracy and speed of my calculations.
I recommend Mass Spec Calculator Pro for anyone working in the field of mass spectrometry. It simplifies complex calculations enormously.
The price of the software is quite reasonable considering its value and the time it saves. A great investment for anyone in the field.
I've tried several mass spec calculators, and Mass Spec Calculator Pro is by far the most accurate and reliable tool I've come across.
The user interface could be improved by providing more customization options. Different users may have different preferences.
I really appreciate the educational resources included in the software. They have helped me deepen my understanding of mass spectrometry principles.
I haven't encountered any bugs or crashes with the software so far. Very stable and reliable.
The ability to export results to various file formats is extremely convenient. It saves me a lot of time when preparing reports.
I totally agree, Emily. The export feature is a time-saver and enhances the overall workflow efficiency.
I would love to see more advanced features added to the software in future updates. It has great potential for further development.
The user interface is very intuitive and easy to navigate. Even for someone with limited computer skills, it's a breeze to use.
I've been using Mass Spec Calculator Pro for my graduate research, and it has undoubtedly saved me countless hours. Thank you!
I had the same experience, Grace. The software has been a real time-saver for my research as well.
The calculations are lightning-fast. It's impressive how quickly Mass Spec Calculator Pro provides accurate results.
One suggestion I have is to add more tutorials or video guides for beginners. It would ease the learning curve for new users.
The software's functionality is well thought out and covers all the essential features needed for mass spec calculations.
The regular software updates and improvements reflect the developer's commitment to delivering a high-quality product.
I've recommended Mass Spec Calculator Pro to several colleagues, and they all love it! It's become a staple in our lab.
The software's accuracy and reliability have been crucial in my research. I trust it completely for my mass spec calculations.
I would like to see a more modern and visually appealing user interface. It would enhance the overall user experience.
The software has a relatively small learning curve. I was up and running in no time!
The customer support team is always ready to assist with any questions or issues. Great service!
The developers regularly incorporate user feedback into updates, which shows their dedication to improving the software.
I appreciate the fact that the software is compatible with different mass spectrometer models. Great versatility!
The educational resources provided within the software are comprehensive and informative. A great learning tool.
The software's speed is impressive. It handles large datasets without any noticeable slowdowns.
Mass Spec Calculator Pro has made my mass spectrometry research much more streamlined. It's a fantastic tool!
I've been using this software for teaching purposes, and my students find it intuitive and easy to grasp.
The ability to save and load custom templates for different experiments is a valuable feature. Saves a lot of time!
I have encountered a few minor bugs, but the developers have been quick to address them in subsequent updates. Good support.
The software's accuracy has been validated in numerous studies. It's a trusted tool in the scientific community.
I would love to see mobile versions of the software available in the future. It would enhance accessibility and convenience.
The pricing options are quite flexible, suiting both individual researchers and larger academic institutions.
I find the tutorial videos included in the software very helpful. They provide clear explanations and demonstrations.
The software has exceeded my expectations. It's an invaluable tool for anyone working with mass spectrometry.
I don't have any complaints about Mass Spec Calculator Pro. It has become an essential part of my research workflow.
I appreciate the support for multiple ionization techniques. It allows for comprehensive calculations across various experimental setups.
The software's user-friendly interface has made it accessible for researchers with various levels of experience. Great job!