| SpectraBase Spectrum ID |
E2X65V4gWT9 |
| Name |
SL 11:1;O/10:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sulfonolipid |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.270544593 u |
| Formula |
C21H41NO5S |
| InChI |
InChI=1S/C21H41NO5S/c1-3-5-7-9-11-13-15-17-21(24)22-19(18-28(25,26)27)20(23)16-14-12-10-8-6-4-2/h14,16,19-20,23H,3-13,15,17-18H2,1-2H3,(H,22,24)(H,25,26,27)/b16-14+ |
| InChIKey |
RNQCNAPRTXHFIL-JQIJEIRANA-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 |
CCCCCCCCCC(=O)NC(CS(O)(=O)=O)C(O)\C=C\CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
