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Cer 25:0;3O/28:2
SpectraBase Compound ID 9Nu9RSKT1Sa
InChI InChI=1S/C53H103NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-52(57)54-50(49-55)53(58)51(56)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h23-24,26-27,50-51,53,55-56,58H,3-22,25,28-49H2,1-2H3,(H,54,57)/b24-23-,27-26-
InChIKey DPEMLKALBJIFCL-ZOQYMNPPNA-N
Mol Weight 818.4 g/mol
Molecular Formula C53H103NO4
Exact Mass 817.788711 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9VkRYSKYAlI
Name Cer 25:0;3O/28:2
Classification Sphingolipids [SP]
Comments Ceramide non-hydroxyfatty acid-phytospingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 817.788710797 u
Formula C53H103NO4
InChI InChI=1S/C53H103NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-52(57)54-50(49-55)53(58)51(56)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h23-24,26-27,50-51,53,55-56,58H,3-22,25,28-49H2,1-2H3,(H,54,57)/b24-23-,27-26-
InChIKey DPEMLKALBJIFCL-ZOQYMNPPNA-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 CCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES