| SpectraBase Spectrum ID |
5f0NlY1VQqa |
| Name |
LNAPS 22:4/N-5:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
657.364183995 u |
| Formula |
C33H56NO10P |
| InChI |
InChI=1S/C33H56NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-32(37)42-26-29(35)27-43-45(40,41)44-28-30(33(38)39)34-31(36)24-6-4-2/h9-10,12-13,15-16,18-19,29-30,35H,3-8,11,14,17,20-28H2,1-2H3,(H,34,36)(H,38,39)(H,40,41)/b10-9-,13-12-,16-15-,19-18- |
| InChIKey |
WLQIAZQRGGIHLA-SNPVRQPZNA-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)CCCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
