ftir.fun offers a user-friendly platform for accurate infrared spectral analysis, catering to analysts, educators, and researchers. Users can utilize the free Simple Mode to compare their results with over 100,000 standard spectra. For greater precision, Advanced and Premium Modes utilize multi-result cross-analysis and knowledge graph techniques. Furthermore, we establish correlations between group and feature peaks through literature collection, providing potential assignments for feature peaks with relevant references.
By publishing your search results, you can receive ongoing feedback from users worldwide, gaining insights from their professional comments. You can also input data like SMILES or substance names to access the substance's infrared spectrum.
100,000+ spectra, dynamically update by users
Hausdorff distance , fingerprint region matching,et al. Making the results more accurate
Receive feedback from professional users around the world constantly
Experts conducts manual analysis in conjunction with knowledge graphs and other tools
Simple Mode Search is a retrieval method that compares the overall similarity between sample spectra and standard spectra, ranking results from high to low similarity. During the process, the peak heights of the samples are quantified to enhance efficiency. This method is relatively quick, taking 10 to 20 seconds, and is free for both visitors and registered users for unlimited use, although its accuracy is not very high. However, it is sufficient for general use.
Based on pre_search results, Advanced Mode Search obtain more accurate analytical results through comprehensive curve shifting comparisons, feature peak retrieval, fingerprint region retrieval, and cross-validation.This type of search requires extensive calculations and takes longer, approximately 50 to 80 seconds, but it offers higher accuracy. Additionally, this search provides comprehensive result analysis and discussion of characteristic peak assignments, which are not offered in Simple Mode.
Leveraging expert analysis, your prior knowledge, and analytical goals, we use knowledge graphs and neural networks to predict the relationships between peaks and functional groups, supported by the latest literature for accurate insights.Our NEO4J database currently contains over 5 million entries related to substances, groups, chemical bonds, characteristic peaks, and more. We also train substance MACCS and characteristic peaks based on standard spectra from the spectral library, which facilitates more accurate analysis of infrared spectra. This analysis typically takes more than three days.
It is best to upload a CSV or Excel file exported from the infrared spectroscopy device, which should have two columns: one for wavenumber (cm⁻¹) and the other for absorbance or transmittance. RAW .spa files are also acceptable. If you only have raw data from devices like BRUKER or SHIMADZU, you can upload those as well; the backend will process them, but it may take about 1 hour to complete the processing, after which you will be notified via the website or email. If you only have images, PDFs, etc., the backend can also attempt to extract spectral data, but success is not guaranteed.
Please enter the IPUAC_NAME, SMILES, or CAS of the substance you want to search for. It is recommended that you first search on the PUBCHEM website (https://pubchem.ncbi.nlm.nih.gov/) to obtain accurate search keywords. If you do not have this information, you can also enter the product name, and the backend will attempt to find the substance using its synonyms.
Yes, apart from the Simple Mode Search, using other services will consume a certain number of membership points. You can check how many points you have remaining by clicking on the 'membership points' in the upper right corner, as well as the number of points required for each service. New registered users and guests can receive a large number of points, which are sufficient to complete multiple Advanced Mode Searches and other services. Recharge methods include PayPal, credit cards, and for users in mainland China, WeChat and Alipay.
Payments can be made directly through the payment channels on the website, and invoices are not provided. If you need an invoice, please contact us via email [email protected]