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Cer 15:1;2O/32:2;O(FA 21:1)
SpectraBase Compound ID KkQ2tqzGn6x
InChI InChI=1S/C68H127NO5/c1-3-5-7-9-11-13-15-16-17-18-33-36-39-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-40-37-34-31-29-27-25-23-21-19-20-22-24-26-28-30-32-35-38-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-14-12-10-8-6-4-2/h17-19,21,25,27,56,60,65-66,70-71H,3-16,20,22-24,26,28-55,57-59,61-64H2,1-2H3,(H,69,72)/b18-17-,21-19-,27-25-,60-56+
InChIKey VKBCVBAIOAPNLZ-ITDYLYEHNA-N
Mol Weight 1038.8 g/mol
Molecular Formula C68H127NO5
Exact Mass 1037.971426 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ge0bI2ukJaz
Name Cer 15:1;2O/32:2;O(FA 21:1)
Classification Sphingolipids [SP]
Comments Ceramide Esterified omega-hydroxy fatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1037.971426188 u
Formula C68H127NO5
InChI InChI=1S/C68H127NO5/c1-3-5-7-9-11-13-15-16-17-18-33-36-39-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-40-37-34-31-29-27-25-23-21-19-20-22-24-26-28-30-32-35-38-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-14-12-10-8-6-4-2/h17-19,21,25,27,56,60,65-66,70-71H,3-16,20,22-24,26,28-55,57-59,61-64H2,1-2H3,(H,69,72)/b18-17-,21-19-,27-25-,60-56+
InChIKey VKBCVBAIOAPNLZ-ITDYLYEHNA-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 CCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/CCCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES