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Cer 17:1;2O/12:1;O(FA 19:1)
SpectraBase Compound ID 5q8kYHtO5T
InChI InChI=1S/C48H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-22-26-30-34-38-42-48(53)54-43-39-35-31-27-23-25-29-33-37-41-47(52)49-45(44-50)46(51)40-36-32-28-24-21-16-14-12-10-8-6-4-2/h18-19,25,29,36,40,45-46,50-51H,3-17,20-24,26-28,30-35,37-39,41-44H2,1-2H3,(H,49,52)/b19-18-,29-25-,40-36+
InChIKey XBYRTQQGJSJXOI-QKNNUOILNA-N
Mol Weight 760.2 g/mol
Molecular Formula C48H89NO5
Exact Mass 759.674075 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9JTZHUVNeLj
Name Cer 17:1;2O/12:1;O(FA 19:1)
Classification Sphingolipids [SP]
Comments Ceramide Esterified omega-hydroxy fatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 759.674074965 u
Formula C48H89NO5
InChI InChI=1S/C48H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-22-26-30-34-38-42-48(53)54-43-39-35-31-27-23-25-29-33-37-41-47(52)49-45(44-50)46(51)40-36-32-28-24-21-16-14-12-10-8-6-4-2/h18-19,25,29,36,40,45-46,50-51H,3-17,20-24,26-28,30-35,37-39,41-44H2,1-2H3,(H,49,52)/b19-18-,29-25-,40-36+
InChIKey XBYRTQQGJSJXOI-QKNNUOILNA-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 CCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCC\C=C/CCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES