| SpectraBase Spectrum ID |
5n9UAjEbX0r |
| Name |
LNAPS 26:3/N-22:2 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
949.677185283 u |
| Formula |
C54H96NO10P |
| InChI |
InChI=1S/C54H96NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-53(58)63-47-50(56)48-64-66(61,62)65-49-51(54(59)60)55-52(57)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-24,50-51,56H,3-10,15-16,21-22,25-49H2,1-2H3,(H,55,57)(H,59,60)(H,61,62)/b13-11-,14-12-,19-17-,20-18-,24-23- |
| InChIKey |
WYOXDEYTMOWRGV-BXISQCKVNA-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 |
CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
