Fig. 3. Overview of BMDMS-NP. (A) The MS/MS library was established by two types of spectrometers with several conditions. (B) BMDMS-NP consists of information about compound spectra. The program provided by GitHub helped to search and build an in-house library. (C) Spectrum search is performed using the concept of data block. The spectra of the library are grouped as shown by the bold lines in the table. The user can group input spectral data into a block and search against BMDMS-NP and get ranking and scores for the searches.Published as part of Lee, Sangwon, Hwang, Sungbo, Seo, Myungwon, Shin, Ki Beom, Kim, Kwang Hoe, Park, Gun Wook, Kim, Jin Young, Yoo, Jong Shin & No, Kyoung Tai, 2020, BMDMS-NP: A comprehensive ESI-MS/MS spectral libra...
Epub ahead of printNowadays, high-resolution mass spectrometry is widely used for metabolomic studie...
Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS spectra f...
To address the lack of high-resolution electron ionisation mass spectral libraries (HR-[EI+]-MS) for...
Lee, Sangwon, Hwang, Sungbo, Seo, Myungwon, Shin, Ki Beom, Kim, Kwang Hoe, Park, Gun Wook, Kim, Jin ...
Fig. 4. Evaluation of searching blocks against those of BMDMS-NP. Blocks in (A) and (C) are from NIS...
Fig. 2. Venn diagram representing the number of overlapped metabolites between libraries. The number...
Fig. 1. Principal component analysis of molecular fingerprints between the 'natural product/for sale...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Complete structural elucidation of natural products is commonly performed by nuclear magnetic resona...
2011 - 2012Mass spectrometry (MS) is a powerful detection technique that has become very important i...
The characterization of proteins, peptides, metabolites, and natural products are crucial to the und...
International audiencethis Data Descriptor announces the submission to public repositories of the mo...
Epub ahead of printNowadays, high-resolution mass spectrometry is widely used for metabolomic studie...
Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS spectra f...
To address the lack of high-resolution electron ionisation mass spectral libraries (HR-[EI+]-MS) for...
Lee, Sangwon, Hwang, Sungbo, Seo, Myungwon, Shin, Ki Beom, Kim, Kwang Hoe, Park, Gun Wook, Kim, Jin ...
Fig. 4. Evaluation of searching blocks against those of BMDMS-NP. Blocks in (A) and (C) are from NIS...
Fig. 2. Venn diagram representing the number of overlapped metabolites between libraries. The number...
Fig. 1. Principal component analysis of molecular fingerprints between the 'natural product/for sale...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Mass spectral libraries of EI-mass spectra are an important tool in the structure elucidation of unk...
Complete structural elucidation of natural products is commonly performed by nuclear magnetic resona...
2011 - 2012Mass spectrometry (MS) is a powerful detection technique that has become very important i...
The characterization of proteins, peptides, metabolites, and natural products are crucial to the und...
International audiencethis Data Descriptor announces the submission to public repositories of the mo...
Epub ahead of printNowadays, high-resolution mass spectrometry is widely used for metabolomic studie...
Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS spectra f...
To address the lack of high-resolution electron ionisation mass spectral libraries (HR-[EI+]-MS) for...