| SpectraBase Spectrum ID |
BPpO5ewKfcN |
| Name |
LNAPS 26:7/N-15:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
845.520684639 u |
| Formula |
C47H76NO10P |
| InChI |
InChI=1S/C47H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-46(51)56-40-43(49)41-57-59(54,55)58-42-44(47(52)53)48-45(50)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,20-21,23-24,26-27,31,33,43-44,49H,3-4,6,8-10,15-16,19,22,25,28-30,32,34-42H2,1-2H3,(H,48,50)(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,18-17-,21-20-,24-23-,27-26-,33-31- |
| InChIKey |
WZSNIZGXORVMIZ-YOVKZVLSNA-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/CCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCC\C=C/C\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 |
