| SpectraBase Spectrum ID |
4nXufsq48Jy |
| Name |
SL 24:2;O/18:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
707.552245752 u |
| Formula |
C42H77NO5S |
| InChI |
InChI=1S/C42H77NO5S/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-41(44)40(39-49(46,47)48)43-42(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,18,23,27,29,35,37,40-41,44H,3-11,13,15-17,19-22,24-26,28,30-34,36,38-39H2,1-2H3,(H,43,45)(H,46,47,48)/b14-12-,23-18-,29-27+,37-35+ |
| InChIKey |
ZHQNBRZTJRCSTF-ZRGKXADENA-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 |
CCCCCCCCCCCCCCC\C=C\CC\C=C\C(O)C(CS(O)(=O)=O)NC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
