| SpectraBase Spectrum ID |
HYWlmGtKRCs |
| Name |
SL 20:3;O/26:0;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
781.625410693 u |
| Formula |
C46H87NO6S |
| InChI |
InChI=1S/C46H87NO6S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-45(49)46(50)47-43(42-54(51,52)53)44(48)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h16,18,30,32,38,40,43-45,48-49H,3-15,17,19-29,31,33-37,39,41-42H2,1-2H3,(H,47,50)(H,51,52,53)/b18-16+,32-30+,40-38+ |
| InChIKey |
LPRAHSZWODUWBZ-JDJIIKASNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CS(O)(=O)=O)C(O)\C=C\CC\C=C\CC\C=C\CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
