| SpectraBase Spectrum ID |
JHl2XTxt8ai |
| Name |
LNAPS 13:1/N-4:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
523.254633544 u |
| Formula |
C23H42NO10P |
| InChI |
InChI=1S/C23H42NO10P/c1-3-5-6-7-8-9-10-11-12-13-15-22(27)32-16-19(25)17-33-35(30,31)34-18-20(23(28)29)24-21(26)14-4-2/h6-7,19-20,25H,3-5,8-18H2,1-2H3,(H,24,26)(H,28,29)(H,30,31)/b7-6- |
| InChIKey |
YXSNLUSXUWOZJZ-SREVYHEPNA-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 |
CCC\C=C/CCCCCCCC(=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 |
