| SpectraBase Spectrum ID |
C9iiT0GXj7O |
| Name |
SL 24:0;O/20:1;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
757.625410693 u |
| Formula |
C44H87NO6S |
| InChI |
InChI=1S/C44H87NO6S/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-42(46)41(40-52(49,50)51)45-44(48)43(47)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h18,20,41-43,46-47H,3-17,19,21-40H2,1-2H3,(H,45,48)(H,49,50,51)/b20-18- |
| InChIKey |
NCPFECSRTSDSKR-ZZEZOPTANA-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 |
CCCCCCCCCCCCCCCCCCCCCC(O)C(CS(O)(=O)=O)NC(=O)C(O)CCCCCCCC\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
