| SpectraBase Spectrum ID |
8ITkaxFrb8u |
| Name |
LNAPS 20:4/N-13:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
739.442434317 u |
| Formula |
C39H66NO10P |
| InChI |
InChI=1S/C39H66NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(43)48-32-35(41)33-49-51(46,47)50-34-36(39(44)45)40-37(42)30-28-26-24-22-14-12-10-8-6-4-2/h8,10-11,13,16-17,19-20,23,25,35-36,41H,3-7,9,12,14-15,18,21-22,24,26-34H2,1-2H3,(H,40,42)(H,44,45)(H,46,47)/b10-8-,13-11-,17-16-,20-19-,25-23- |
| InChIKey |
PYBAKXJMGBLDKA-GMFCRXRVNA-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/C\C=C/CCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCC\C=C/CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
