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Cer 10:1;2O/18:1
SpectraBase Compound ID AjvCYVQ6CbV
InChI InChI=1S/C28H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-28(32)29-26(25-30)27(31)23-21-19-8-6-4-2/h13-14,21,23,26-27,30-31H,3-12,15-20,22,24-25H2,1-2H3,(H,29,32)/b14-13-,23-21+
InChIKey XXISLAUZVNRLLB-SZCRETBPNA-N
Mol Weight 451.7 g/mol
Molecular Formula C28H53NO3
Exact Mass 451.402545 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2xrouFgfAe9
Name Cer 10:1;2O/18:1
Classification Sphingolipids [SP]
Comments Ceramide non-hydroxyfatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.402544568 u
Formula C28H53NO3
InChI InChI=1S/C28H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-28(32)29-26(25-30)27(31)23-21-19-8-6-4-2/h13-14,21,23,26-27,30-31H,3-12,15-20,22,24-25H2,1-2H3,(H,29,32)/b14-13-,23-21+
InChIKey XXISLAUZVNRLLB-SZCRETBPNA-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-H]-
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES