| SpectraBase Spectrum ID |
HoIOYgxsN8p |
| Name |
SL 10:1;O/14:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.301844722 u |
| Formula |
C24H45NO5S |
| InChI |
InChI=1S/C24H45NO5S/c1-3-5-7-9-10-11-12-13-14-16-18-20-24(27)25-22(21-31(28,29)30)23(26)19-17-15-8-6-4-2/h9-10,17,19,22-23,26H,3-8,11-16,18,20-21H2,1-2H3,(H,25,27)(H,28,29,30)/b10-9-,19-17+ |
| InChIKey |
CXDKZBBPTIHWHL-ZACVNVCUNA-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 |
CCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
