TY - JOUR
T1 - Computational mass spectrometry accelerates C = C position-resolved untargeted lipidomics using oxygen attachment dissociation
AU - Uchino, Haruki
AU - Tsugawa, Hiroshi
AU - Takahashi, Hidenori
AU - Arita, Makoto
N1 - Funding Information:
This work was supported by the JSPS Grant-in-Aid for Scientific Research on Innovative Areas “Lipo-Quality” (15H05897 and 15H05898 to M.A.), JSPS KAKENHI (18H02432, 18K19155, 21K18216 to Hiroshi T., 20H00495 to M.A.), the National Cancer Center Research and Development Fund (2020-A-9, H.T.), AMED Japan Program for Infectious Diseases Research and Infrastructure (21wm0325036h0001, H.T. and M.A.), JST National Bioscience Database Center (NBDC, H.T.), JST ERATO Grant (JPMJER2101 to H.T. and M.A.), and RIKEN Junior Research Associate Program (H.U.).
Publisher Copyright:
© 2022, The Author(s).
PY - 2022/12
Y1 - 2022/12
N2 - Mass spectrometry-based untargeted lipidomics has revealed the lipidome atlas of living organisms at the molecular species level. Despite the double bond (C = C) position being a crucial factor in biological system, the C = C defined structures have not yet been characterized comprehensively. Here, we present an approach for C = C position-resolved untargeted lipidomics using a combination of oxygen attachment dissociation and computational mass spectrometry to increase the annotation rate. We validated the accuracy of our platform as per the authentic standards of 85 lipids and the biogenic standards of 52 molecules containing polyunsaturated fatty acids (PUFAs) from the cultured cells fed with various fatty acid-enriched media. By analyzing human and mice-derived samples, we characterized 648 unique lipids with the C = C position-resolved level encompassing 24 lipid subclasses defined by LIPIDMAPS. Our platform also illuminated the unique profiles of tissue-specific lipids containing n-3 and/or n-6 very long-chain PUFAs (carbon ≥ 28 and double bonds ≥ 4) in the eye, testis, and brain of the mouse.
AB - Mass spectrometry-based untargeted lipidomics has revealed the lipidome atlas of living organisms at the molecular species level. Despite the double bond (C = C) position being a crucial factor in biological system, the C = C defined structures have not yet been characterized comprehensively. Here, we present an approach for C = C position-resolved untargeted lipidomics using a combination of oxygen attachment dissociation and computational mass spectrometry to increase the annotation rate. We validated the accuracy of our platform as per the authentic standards of 85 lipids and the biogenic standards of 52 molecules containing polyunsaturated fatty acids (PUFAs) from the cultured cells fed with various fatty acid-enriched media. By analyzing human and mice-derived samples, we characterized 648 unique lipids with the C = C position-resolved level encompassing 24 lipid subclasses defined by LIPIDMAPS. Our platform also illuminated the unique profiles of tissue-specific lipids containing n-3 and/or n-6 very long-chain PUFAs (carbon ≥ 28 and double bonds ≥ 4) in the eye, testis, and brain of the mouse.
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U2 - 10.1038/s42004-022-00778-1
DO - 10.1038/s42004-022-00778-1
M3 - Article
AN - SCOPUS:85144284730
SN - 2399-3669
VL - 5
JO - Communications Chemistry
JF - Communications Chemistry
IS - 1
M1 - 162
ER -