| SpectraBase Spectrum ID |
Erg1HUoIMp |
| Name |
Cer 9:0;2O/19:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.402544568 u |
| Formula |
C28H53NO3 |
| InChI |
InChI=1S/C28H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-28(32)29-26(25-30)27(31)23-21-8-6-4-2/h11-12,14-15,26-27,30-31H,3-10,13,16-25H2,1-2H3,(H,29,32)/b12-11-,15-14- |
| InChIKey |
DHNSUYDJSZODJJ-HDXUUTQWNA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCC(=O)NC(CO)C(O)CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
