| SpectraBase Spectrum ID |
LbOEs2qsdFQ |
| Name |
SM 14:3;2O/4:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sphingomyelin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.285874105 u |
| Formula |
C23H43N2O6P |
| InChI |
InChI=1S/C23H43N2O6P/c1-6-8-9-10-11-12-13-14-15-17-22(26)21(24-23(27)16-7-2)20-31-32(28,29)30-19-18-25(3,4)5/h6,8,11-12,15,17,21-22,26H,7,9-10,13-14,16,18-20H2,1-5H3,(H-,24,27,28,29)/b8-6+,12-11+,17-15+ |
| InChIKey |
FVDRPVGMEDPYFP-JKIDYDGVNA-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 |
CCCC(=O)NC(COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CC\C=C\CC\C=C\C |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
