| SpectraBase Spectrum ID |
GV0iWehX3On |
| Name |
LNAPS 20:4/N-23:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
881.614585026 u |
| Formula |
C49H88NO10P |
| InChI |
InChI=1S/C49H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-40-47(52)50-46(49(54)55)44-60-61(56,57)59-43-45(51)42-58-48(53)41-39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,27,29,33,35,45-46,51H,3-11,13,15-17,19,21-26,28,30-32,34,36-44H2,1-2H3,(H,50,52)(H,54,55)(H,56,57)/b14-12-,20-18-,29-27-,35-33- |
| InChIKey |
VWSRCKFOLIBZSA-WOQHKUJKNA-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 |
CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCC\C=C/C\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 |
