| SpectraBase Spectrum ID |
7yLgA8GsKXL |
| Name |
SL 12:2;O/12:0;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.296759341 u |
| Formula |
C24H45NO6S |
| InChI |
InChI=1S/C24H45NO6S/c1-3-5-7-9-11-13-15-17-19-23(27)24(28)25-21(20-32(29,30)31)22(26)18-16-14-12-10-8-6-4-2/h8,10,16,18,21-23,26-27H,3-7,9,11-15,17,19-20H2,1-2H3,(H,25,28)(H,29,30,31)/b10-8+,18-16+ |
| InChIKey |
MOCNWDWLDLCZTG-ISCDPQFYNA-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 |
CCCCCCCCCCC(O)C(=O)NC(CS(O)(=O)=O)C(O)\C=C\CC\C=C\CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
