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Cer 14:1;2O/27:0;O(FA 16:2)
SpectraBase Compound ID IQzIsLgPKog
InChI InChI=1S/C57H107NO5/c1-3-5-7-9-11-13-14-27-31-35-39-43-47-51-57(62)63-52-48-44-40-36-32-29-26-24-22-20-18-16-15-17-19-21-23-25-28-30-34-38-42-46-50-56(61)58-54(53-59)55(60)49-45-41-37-33-12-10-8-6-4-2/h7,9,13-14,45,49,54-55,59-60H,3-6,8,10-12,15-44,46-48,50-53H2,1-2H3,(H,58,61)/b9-7-,14-13-,49-45+
InChIKey ZNBCXNVEKGIXTE-FIGATNHKNA-N
Mol Weight 886.5 g/mol
Molecular Formula C57H107NO5
Exact Mass 885.814926 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CFOa4riYspZ
Name Cer 14:1;2O/27:0;O(FA 16:2)
Classification Sphingolipids [SP]
Comments Ceramide Esterified omega-hydroxy fatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 885.814925544 u
Formula C57H107NO5
InChI InChI=1S/C57H107NO5/c1-3-5-7-9-11-13-14-27-31-35-39-43-47-51-57(62)63-52-48-44-40-36-32-29-26-24-22-20-18-16-15-17-19-21-23-25-28-30-34-38-42-46-50-56(61)58-54(53-59)55(60)49-45-41-37-33-12-10-8-6-4-2/h7,9,13-14,45,49,54-55,59-60H,3-6,8,10-12,15-44,46-48,50-53H2,1-2H3,(H,58,61)/b9-7-,14-13-,49-45+
InChIKey ZNBCXNVEKGIXTE-FIGATNHKNA-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-H]-
SMILES CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES