For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cer 30:0;3O/16:2;(2OH)
SpectraBase Compound ID CDnqHBClPpt
InChI InChI=1S/C46H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-43(49)45(51)42(41-48)47-46(52)44(50)40-38-36-34-32-29-16-14-12-10-8-6-4-2/h29,32,36,38,42-45,48-51H,3-28,30-31,33-35,37,39-41H2,1-2H3,(H,47,52)/b32-29-,38-36-
InChIKey XFDPSIUGPVIJMC-DGMTVPDINA-N
Mol Weight 736.2 g/mol
Molecular Formula C46H89NO5
Exact Mass 735.674075 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3dpqmSwkwWw
Name Cer 30:0;3O/16:2;(2OH)
Classification Sphingolipids [SP]
Comments Ceramide alpha-hydroxy fatty acid-phytospingosine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 735.674074965 u
Formula C46H89NO5
InChI InChI=1S/C46H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-43(49)45(51)42(41-48)47-46(52)44(50)40-38-36-34-32-29-16-14-12-10-8-6-4-2/h29,32,36,38,42-45,48-51H,3-28,30-31,33-35,37,39-41H2,1-2H3,(H,47,52)/b32-29-,38-36-
InChIKey XFDPSIUGPVIJMC-DGMTVPDINA-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 CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)C\C=C/C\C=C/CCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES