| SpectraBase Spectrum ID |
E9kWf4G6y2T |
| Name |
LNAPS 4:0/N-12:0 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.254633544 u |
| Formula |
C22H42NO10P |
| InChI |
InChI=1S/C22H42NO10P/c1-3-5-6-7-8-9-10-11-12-14-20(25)23-19(22(27)28)17-33-34(29,30)32-16-18(24)15-31-21(26)13-4-2/h18-19,24H,3-17H2,1-2H3,(H,23,25)(H,27,28)(H,29,30) |
| InChIKey |
QPRCQJLBTVTPGX-UHFFFAOYNA-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 |
CCCCCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
