| SpectraBase Spectrum ID |
1oEiNsFUh5 |
| Name |
LNAPS 16:2/N-17:2 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
741.458084382 u |
| Formula |
C39H68NO10P |
| InChI |
InChI=1S/C39H68NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-37(42)40-36(39(44)45)34-50-51(46,47)49-33-35(41)32-48-38(43)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h8-11,14-17,35-36,41H,3-7,12-13,18-34H2,1-2H3,(H,40,42)(H,44,45)(H,46,47)/b10-8-,11-9-,16-14-,17-15- |
| InChIKey |
QHRNBMCFSQLLIA-KYPUIWQENA-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 |
CCCC\C=C/C\C=C/CCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
