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Cer 26:2;2O/24:1;(2OH)
SpectraBase Compound ID ATeDUBGZ7hF
InChI InChI=1S/C50H95NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-48(53)47(46-52)51-50(55)49(54)45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h26,29,34,36,42,44,47-49,52-54H,3-25,27-28,30-33,35,37-41,43,45-46H2,1-2H3,(H,51,55)/b29-26-,36-34+,44-42+
InChIKey WRDMXVUGEHDZOW-SLKKOKHYNA-N
Mol Weight 774.3 g/mol
Molecular Formula C50H95NO4
Exact Mass 773.726111 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID K1WppugqCtF
Name Cer 26:2;2O/24:1;(2OH)
Classification Sphingolipids [SP]
Comments Ceramide alpha-hydroxy fatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 773.726110539 u
Formula C50H95NO4
InChI InChI=1S/C50H95NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-48(53)47(46-52)51-50(55)49(54)45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h26,29,34,36,42,44,47-49,52-54H,3-25,27-28,30-33,35,37-41,43,45-46H2,1-2H3,(H,51,55)/b29-26-,36-34+,44-42+
InChIKey WRDMXVUGEHDZOW-SLKKOKHYNA-N
Ion Polarity N
Literature Reference Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163.
Literature Reference DOI https://doi.org/10.1038/s41587-020-0531-2
Precursor Ion [M+CH3COO]-
SMILES CCCCCCCCCCCCCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCCCC\C=C/CCCCCCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES