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Cer 25:3;2O/38:2;(2OH)
SpectraBase Compound ID 3gvYr7XTs72
InChI InChI=1S/C63H117NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-62(67)63(68)64-60(59-65)61(66)57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-6-4-2/h26-27,29-30,39,41,47,49,55,57,60-62,65-67H,3-25,28,31-38,40,42-46,48,50-54,56,58-59H2,1-2H3,(H,64,68)/b27-26-,30-29-,41-39+,49-47+,57-55+
InChIKey ZWKWVLKGNNIBAQ-MAKDAMCDNA-N
Mol Weight 952.6 g/mol
Molecular Formula C63H117NO4
Exact Mass 951.898261 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BiiX4yxvw69
Name Cer 25:3;2O/38:2;(2OH)
Classification Sphingolipids [SP]
Comments Ceramide alpha-hydroxy fatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 951.898261247 u
Formula C63H117NO4
InChI InChI=1S/C63H117NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-62(67)63(68)64-60(59-65)61(66)57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-6-4-2/h26-27,29-30,39,41,47,49,55,57,60-62,65-67H,3-25,28,31-38,40,42-46,48,50-54,56,58-59H2,1-2H3,(H,64,68)/b27-26-,30-29-,41-39+,49-47+,57-55+
InChIKey ZWKWVLKGNNIBAQ-MAKDAMCDNA-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+HCOO]-
SMILES CCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C\CC\C=C\CCCCCCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES