| SpectraBase Spectrum ID |
6I5WiY36FVo |
| Name |
Cer 27:1;3O/13:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
635.585259959 u |
| Formula |
C40H77NO4 |
| InChI |
InChI=1S/C40H77NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-38(43)40(45)37(36-42)41-39(44)35-33-31-29-27-14-12-10-8-6-4-2/h10,12,26,28,37-38,40,42-43,45H,3-9,11,13-25,27,29-36H2,1-2H3,(H,41,44)/b12-10-,28-26+ |
| InChIKey |
SGSOFYVQPRILFR-HILPOASTNA-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 |
CCCCCCCCCCCCCCCCCC\C=C\CCCC(O)C(O)C(CO)NC(=O)CCCCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
