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Cer 14:1;2O/34:0;O(FA 21:2)
SpectraBase Compound ID HUMybD23QjI
InChI InChI=1S/C69H131NO5/c1-3-5-7-9-11-13-14-15-16-17-34-37-40-43-47-51-55-59-63-69(74)75-64-60-56-52-48-44-41-38-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-33-36-39-42-46-50-54-58-62-68(73)70-66(65-71)67(72)61-57-53-49-45-12-10-8-6-4-2/h13-14,16-17,57,61,66-67,71-72H,3-12,15,18-56,58-60,62-65H2,1-2H3,(H,70,73)/b14-13-,17-16-,61-57+
InChIKey KIRVCFNGKARLMR-BJSSGKAENA-N
Mol Weight 1054.8 g/mol
Molecular Formula C69H131NO5
Exact Mass 1054.002726 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3uQUw7Rkwfy
Name Cer 14:1;2O/34:0;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 1054.002726317 u
Formula C69H131NO5
InChI InChI=1S/C69H131NO5/c1-3-5-7-9-11-13-14-15-16-17-34-37-40-43-47-51-55-59-63-69(74)75-64-60-56-52-48-44-41-38-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-33-36-39-42-46-50-54-58-62-68(73)70-66(65-71)67(72)61-57-53-49-45-12-10-8-6-4-2/h13-14,16-17,57,61,66-67,71-72H,3-12,15,18-56,58-60,62-65H2,1-2H3,(H,70,73)/b14-13-,17-16-,61-57+
InChIKey KIRVCFNGKARLMR-BJSSGKAENA-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 CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES