| SpectraBase Spectrum ID |
8F0Ttjx9fXz |
| Name |
LNAPS 22:5/N-16:3 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
803.473734446 u |
| Formula |
C44H70NO10P |
| InChI |
InChI=1S/C44H70NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(48)53-37-40(46)38-54-56(51,52)55-39-41(44(49)50)45-42(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5-8,11-14,17-18,20-21,23-26,40-41,46H,3-4,9-10,15-16,19,22,27-39H2,1-2H3,(H,45,47)(H,49,50)(H,51,52)/b7-5-,8-6-,13-11-,14-12-,18-17-,21-20-,25-23-,26-24- |
| InChIKey |
PWUSLQZBYWRLEB-PMDVYHIWNA-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 |
CC\C=C/C\C=C/C\C=C/CCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
