| SpectraBase Spectrum ID |
8ITnPCTYZT0 |
| Name |
LNAPS 19:2/N-24:3 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
879.598934961 u |
| Formula |
C49H86NO10P |
| InChI |
InChI=1S/C49H86NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(52)50-46(49(54)55)44-60-61(56,57)59-43-45(51)42-58-48(53)41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,22-23,27,45-46,51H,3-10,12,15,18,21,24-26,28-44H2,1-2H3,(H,50,52)(H,54,55)(H,56,57)/b13-11-,16-14-,19-17-,23-22-,27-20- |
| InChIKey |
QVTPQTBOFXFTKN-SEDRHQJHNA-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)CCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
