| SpectraBase Spectrum ID |
2rfxSh9fk85 |
| Name |
LNAPS 22:4/N-4:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
643.348533931 u |
| Formula |
C32H54NO10P |
| InChI |
InChI=1S/C32H54NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(36)41-25-28(34)26-42-44(39,40)43-27-29(32(37)38)33-30(35)23-4-2/h8-9,11-12,14-15,17-18,28-29,34H,3-7,10,13,16,19-27H2,1-2H3,(H,33,35)(H,37,38)(H,39,40)/b9-8-,12-11-,15-14-,18-17- |
| InChIKey |
GAHXWLFGMBMCTQ-GKFVBPDJNA-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/CCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
