| SpectraBase Spectrum ID |
9W11gmPiJN3 |
| Name |
LNAPS 9:0/N-2:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.176383222 u |
| Formula |
C17H32NO10P |
| InChI |
InChI=1S/C17H32NO10P/c1-3-4-5-6-7-8-9-16(21)26-10-14(20)11-27-29(24,25)28-12-15(17(22)23)18-13(2)19/h14-15,20H,3-12H2,1-2H3,(H,18,19)(H,22,23)(H,24,25) |
| InChIKey |
PYGKNKCDKABTKC-UHFFFAOYNA-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(C)=O)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
