| SpectraBase Spectrum ID |
2nfCCcSFG1F |
| Name |
LNAPS 19:2/N-17:2 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
783.505034575 u |
| Formula |
C42H74NO10P |
| InChI |
InChI=1S/C42H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(46)51-35-38(44)36-52-54(49,50)53-37-39(42(47)48)43-40(45)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12-13,15-16,18-20,38-39,44H,3-9,11,14,17,21-37H2,1-2H3,(H,43,45)(H,47,48)(H,49,50)/b12-10-,15-13-,18-16-,20-19- |
| InChIKey |
FRTZPTUSONWCQM-YGVRUMBCNA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCC\C=C/C\C=C/CCCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
