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Cer 12:0;3O/15:1;(2OH)
SpectraBase Compound ID 65uzuoVI9W6
InChI InChI=1S/C27H53NO5/c1-3-5-7-9-11-12-13-14-15-17-19-21-25(31)27(33)28-23(22-29)26(32)24(30)20-18-16-10-8-6-4-2/h11-12,23-26,29-32H,3-10,13-22H2,1-2H3,(H,28,33)/b12-11-
InChIKey YKKWQWNZKIOJIF-QXMHVHEDNA-N
Mol Weight 471.7 g/mol
Molecular Formula C27H53NO5
Exact Mass 471.392374 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DqrgiUlr73w
Name Cer 12:0;3O/15:1;(2OH)
Classification Sphingolipids [SP]
Comments Ceramide alpha-hydroxy fatty acid-phytospingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.392373806 u
Formula C27H53NO5
InChI InChI=1S/C27H53NO5/c1-3-5-7-9-11-12-13-14-15-17-19-21-25(31)27(33)28-23(22-29)26(32)24(30)20-18-16-10-8-6-4-2/h11-12,23-26,29-32H,3-10,13-22H2,1-2H3,(H,28,33)/b12-11-
InChIKey YKKWQWNZKIOJIF-QXMHVHEDNA-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 CCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCC\C=C/CCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES