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Cer 30:1;2O/15:0;O(FA 21:2)
SpectraBase Compound ID HASxEZQsMCn
InChI InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-38-42-46-50-54-58-64(69)63(62-68)67-65(70)59-55-51-47-43-39-36-37-41-45-49-53-57-61-72-66(71)60-56-52-48-44-40-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h14,16,20,22,54,58,63-64,68-69H,3-13,15,17-19,21,23-53,55-57,59-62H2,1-2H3,(H,67,70)/b16-14-,22-20-,58-54+
InChIKey WXOHUKYSQIFVGP-UHFNVLRDNA-N
Mol Weight 1012.7 g/mol
Molecular Formula C66H125NO5
Exact Mass 1011.955776 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CLk2IYkBag6
Name Cer 30:1;2O/15:0;O(FA 21:2)
Classification Sphingolipids [SP]
Comments Ceramide Esterified omega-hydroxy fatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1011.955776124 u
Formula C66H125NO5
InChI InChI=1S/C66H125NO5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-38-42-46-50-54-58-64(69)63(62-68)67-65(70)59-55-51-47-43-39-36-37-41-45-49-53-57-61-72-66(71)60-56-52-48-44-40-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h14,16,20,22,54,58,63-64,68-69H,3-13,15,17-19,21,23-53,55-57,59-62H2,1-2H3,(H,67,70)/b16-14-,22-20-,58-54+
InChIKey WXOHUKYSQIFVGP-UHFNVLRDNA-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 CCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES