| SpectraBase Spectrum ID |
HLLQuomhIoP |
| Name |
LNAPS 4:0/N-26:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
705.458084382 u |
| Formula |
C36H68NO10P |
| InChI |
InChI=1S/C36H68NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-34(39)37-33(36(41)42)31-47-48(43,44)46-30-32(38)29-45-35(40)27-4-2/h11-12,32-33,38H,3-10,13-31H2,1-2H3,(H,37,39)(H,41,42)(H,43,44)/b12-11+ |
| InChIKey |
XOYYAEJAZLGEBL-VAWYXSNFNA-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 |
CCCCCCCC\C=C\CCCCCCCCCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
