| SpectraBase Spectrum ID |
E3B1LvSvBhw |
| Name |
LNAPS 26:3/N-17:2 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
879.598934961 u |
| Formula |
C49H86NO10P |
| InChI |
InChI=1S/C49H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(53)58-42-45(51)43-59-61(56,57)60-44-46(49(54)55)50-47(52)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h10-13,16-19,21-22,45-46,51H,3-9,14-15,20,23-44H2,1-2H3,(H,50,52)(H,54,55)(H,56,57)/b12-10-,13-11-,18-16-,19-17-,22-21- |
| InChIKey |
GGIOKMRKXJIYJC-RBTJOWTONA-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/C\C=C/CCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCC\C=C/C\C=C/CCCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
