| SpectraBase Spectrum ID |
5WTsAYfLhH8 |
| Name |
LNAPS 22:5/N-26:6 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
937.583284897 u |
| Formula |
C54H84NO10P |
| InChI |
InChI=1S/C54H84NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-52(57)55-51(54(59)60)49-65-66(61,62)64-48-50(56)47-63-53(58)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-24,26-28,30-31,33-34,36,50-51,56H,3-4,9-10,15-16,21-22,25,29,32,35,37-49H2,1-2H3,(H,55,57)(H,59,60)(H,61,62)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,28-26-,30-27-,33-31-,36-34- |
| InChIKey |
CZOYFLSTHXBHEH-UBSOQPABNA-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 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
