| SpectraBase Spectrum ID |
GX8CE85XIMX |
| Name |
LNAPS 16:3/N-4:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
561.270283609 u |
| Formula |
C26H44NO10P |
| InChI |
InChI=1S/C26H44NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25(30)35-19-22(28)20-36-38(33,34)37-21-23(26(31)32)27-24(29)17-4-2/h5-6,8-9,11-12,22-23,28H,3-4,7,10,13-21H2,1-2H3,(H,27,29)(H,31,32)(H,33,34)/b6-5-,9-8-,12-11- |
| InChIKey |
PHYLQAQNFZFKHD-AGRJPVHONA-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 |
CCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCCCC\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 |
