| SpectraBase Spectrum ID |
B6S8Lh6MzWF |
| Name |
LNAPS 22:6/N-5:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
653.332883866 u |
| Formula |
C33H52NO10P |
| InChI |
InChI=1S/C33H52NO10P/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/h5,7,9-10,12-13,15-16,18-19,21-22,29-30,35H,3-4,6,8,11,14,17,20,23-28H2,1-2H3,(H,34,36)(H,38,39)(H,40,41)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21- |
| InChIKey |
POVZOILDCQFYBU-NZSKKQKANA-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(=O)NC(COP(O)(=O)OCC(O)COC(=O)CC\C=C/C\C=C/C\C=C/C\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 |
