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Cer 20:1;2O/38:2;O(FA 21:1)
SpectraBase Compound ID 7EgqGfZlU8C
InChI InChI=1S/C79H149NO5/c1-3-5-7-9-11-13-15-17-19-20-41-45-49-53-57-61-65-69-73-79(84)85-74-70-66-62-58-54-50-46-42-39-37-35-33-31-29-27-25-23-21-22-24-26-28-30-32-34-36-38-40-44-48-52-56-60-64-68-72-78(83)80-76(75-81)77(82)71-67-63-59-55-51-47-43-18-16-14-12-10-8-6-4-2/h19-20,23,25,29,31,67,71,76-77,81-82H,3-18,21-22,24,26-28,30,32-66,68-70,72-75H2,1-2H3,(H,80,83)/b20-19-,25-23-,31-29-,71-67+
InChIKey XRJOGMRJNYXHHU-MRIVTBHGNA-N
Mol Weight 1193.1 g/mol
Molecular Formula C79H149NO5
Exact Mass 1192.143577 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GPJbU7jkvmf
Name Cer 20:1;2O/38:2;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 1192.143576897 u
Formula C79H149NO5
InChI InChI=1S/C79H149NO5/c1-3-5-7-9-11-13-15-17-19-20-41-45-49-53-57-61-65-69-73-79(84)85-74-70-66-62-58-54-50-46-42-39-37-35-33-31-29-27-25-23-21-22-24-26-28-30-32-34-36-38-40-44-48-52-56-60-64-68-72-78(83)80-76(75-81)77(82)71-67-63-59-55-51-47-43-18-16-14-12-10-8-6-4-2/h19-20,23,25,29,31,67,71,76-77,81-82H,3-18,21-22,24,26-28,30,32-66,68-70,72-75H2,1-2H3,(H,80,83)/b20-19-,25-23-,31-29-,71-67+
InChIKey XRJOGMRJNYXHHU-MRIVTBHGNA-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+CH3COO]-
SMILES CCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/CCCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES