| SpectraBase Spectrum ID |
5XegWu64akD |
| Name |
SL 19:1;O/22:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
695.552245752 u |
| Formula |
C41H77NO5S |
| InChI |
InChI=1S/C41H77NO5S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-41(44)42-39(38-48(45,46)47)40(43)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,34,36,39-40,43H,3-10,12,14-16,18,20-33,35,37-38H2,1-2H3,(H,42,44)(H,45,46,47)/b13-11-,19-17-,36-34+ |
| InChIKey |
SYDSXNDEYUUXML-RTLFOWBNNA-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 |
CCCCCCCCCCCCCC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
