| SpectraBase Spectrum ID |
F0Pv1Czb4Bi |
| Name |
SL 10:1;O/16:4 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.286194658 u |
| Formula |
C26H43NO5S |
| InChI |
InChI=1S/C26H43NO5S/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-26(29)27-24(23-33(30,31)32)25(28)21-19-17-8-6-4-2/h5,7,10-11,13-14,16,18-19,21,24-25,28H,3-4,6,8-9,12,15,17,20,22-23H2,1-2H3,(H,27,29)(H,30,31,32)/b7-5-,11-10-,14-13-,18-16-,21-19+ |
| InChIKey |
BWKPYQWYTLZQOA-SKMJNVNXNA-N |
| Ion Polarity |
P |
| 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+NH4]+ |
| SMILES |
CCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
