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Cer 27:1;2O/14:1;(2OH)
SpectraBase Compound ID GBaJo640g0F
InChI InChI=1S/C41H79NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-29-31-33-35-39(44)38(37-43)42-41(46)40(45)36-34-32-30-27-14-12-10-8-6-4-2/h10,12,33,35,38-40,43-45H,3-9,11,13-32,34,36-37H2,1-2H3,(H,42,46)/b12-10-,35-33+
InChIKey OSGMZRYZXIGDAN-BQRABEQWNA-N
Mol Weight 650.1 g/mol
Molecular Formula C41H79NO4
Exact Mass 649.60091 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9yidMOQw40f
Name Cer 27:1;2O/14:1;(2OH)
Classification Sphingolipids [SP]
Comments Ceramide alpha-hydroxy fatty acid-sphingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 649.600910024 u
Formula C41H79NO4
InChI InChI=1S/C41H79NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-29-31-33-35-39(44)38(37-43)42-41(46)40(45)36-34-32-30-27-14-12-10-8-6-4-2/h10,12,33,35,38-40,43-45H,3-9,11,13-32,34,36-37H2,1-2H3,(H,42,46)/b12-10-,35-33+
InChIKey OSGMZRYZXIGDAN-BQRABEQWNA-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 CCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCC\C=C/CCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES