| SpectraBase Spectrum ID |
Igd3pI1416j |
| Name |
LNAPS 26:3/N-20:2 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
921.645885154 u |
| Formula |
C52H92NO10P |
| InChI |
InChI=1S/C52H92NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42-44-51(56)61-45-48(54)46-62-64(59,60)63-47-49(52(57)58)53-50(55)43-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22-23,48-49,54H,3-10,15-16,21,24-47H2,1-2H3,(H,53,55)(H,57,58)(H,59,60)/b13-11-,14-12-,19-17-,20-18-,23-22- |
| InChIKey |
TWHIOVXDIYKQKX-ZIIRTFHXNA-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/CCCCCCCCCC(=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 |
