| SpectraBase Spectrum ID |
5VI6Avmru71 |
| Name |
SM 8:1;2O/4:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sphingomyelin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.223273847 u |
| Formula |
C17H35N2O6P |
| InChI |
InChI=1S/C17H35N2O6P/c1-6-8-9-11-16(20)15(18-17(21)10-7-2)14-25-26(22,23)24-13-12-19(3,4)5/h9,11,15-16,20H,6-8,10,12-14H2,1-5H3,(H-,18,21,22,23)/b11-9+ |
| InChIKey |
VKDHNCTVLZWVHN-PKNBQFBNNA-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+H]+ |
| SMILES |
CCC\C=C\C(O)C(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
