| SpectraBase Spectrum ID |
3EtRc8VFXW7 |
| Name |
Cer 14:1;3O/30:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
689.632210153 u |
| Formula |
C44H83NO4 |
| InChI |
InChI=1S/C44H83NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-12-10-8-6-4-2/h12,18-19,21-22,32,41-42,44,46-47,49H,3-11,13-17,20,23-31,33-40H2,1-2H3,(H,45,48)/b19-18-,22-21-,32-12+ |
| InChIKey |
IGULDQDWAWILGZ-HVCCLIQHNA-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 |
CCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCC(=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 |
