| SpectraBase Spectrum ID |
15Bc1pKA7j |
| Name |
LNAPS 7:0/N-13:1 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
565.301583738 u |
| Formula |
C26H48NO10P |
| InChI |
InChI=1S/C26H48NO10P/c1-3-5-7-9-10-11-12-13-14-15-17-24(29)27-23(26(31)32)21-37-38(33,34)36-20-22(28)19-35-25(30)18-16-8-6-4-2/h7,9,22-23,28H,3-6,8,10-21H2,1-2H3,(H,27,29)(H,31,32)(H,33,34)/b9-7- |
| InChIKey |
IJXNBUQQFRGAQI-CLFYSBASNA-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 |
CCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCC\C=C/CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
