| SpectraBase Spectrum ID |
Jwx36L2TI0w |
| Name |
SM 19:1;2O/2:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Sphingomyelin |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.364124427 u |
| Formula |
C26H53N2O6P |
| InChI |
InChI=1S/C26H53N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(30)25(27-24(2)29)23-34-35(31,32)33-22-21-28(3,4)5/h19-20,25-26,30H,6-18,21-23H2,1-5H3,(H-,27,29,31,32)/b20-19+ |
| InChIKey |
PUWYEQWIGIFYGW-FMQUCBEENA-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 |
CCCCCCCCCCCCCC\C=C\C(O)C(COP([O-])(=O)OCC[N+](C)(C)C)NC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
