| SpectraBase Spectrum ID |
5cRqW6SmK2G |
| Name |
LNAPS 9:0/N-24:4 |
| 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/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-37(42)40-36(39(44)45)34-50-51(46,47)49-33-35(41)32-48-38(43)31-29-27-10-8-6-4-2/h11-12,14-15,17-18,20-21,35-36,41H,3-10,13,16,19,22-34H2,1-2H3,(H,40,42)(H,44,45)(H,46,47)/b12-11-,15-14-,18-17-,21-20- |
| InChIKey |
PMSAVWJTAPPZHV-FORXSXPXNA-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 |
CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCC\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 |
