| SpectraBase Spectrum ID |
KAguWtzMbml |
| Name |
LNAPS 5:0/N-26:5 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
711.411134188 u |
| Formula |
C37H62NO10P |
| InChI |
InChI=1S/C37H62NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35(40)38-34(37(42)43)32-48-49(44,45)47-31-33(39)30-46-36(41)29-6-4-2/h5,7,9-10,12-13,15-16,18-19,33-34,39H,3-4,6,8,11,14,17,20-32H2,1-2H3,(H,38,40)(H,42,43)(H,44,45)/b7-5-,10-9-,13-12-,16-15-,19-18- |
| InChIKey |
SQXOXPRXUNYQMY-CZESKWGWNA-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)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCCCC\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 |
