| SpectraBase Spectrum ID |
7EO51cNC5iS |
| Name |
Cer 14:1;3O/17:0;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
527.454974063 u |
| Formula |
C31H61NO5 |
| InChI |
InChI=1S/C31H61NO5/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-29(35)31(37)32-27(26-33)30(36)28(34)24-22-20-18-12-10-8-6-4-2/h12,18,27-30,33-36H,3-11,13-17,19-26H2,1-2H3,(H,32,37)/b18-12+ |
| InChIKey |
CGKIBJZZGGKQNX-LDADJPATNA-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 |
CCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCC\C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
