| SpectraBase Spectrum ID |
InAsGeO704s |
| Name |
PS 4:0_13:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
523.254633544 u |
| Formula |
C23H42NO10P |
| InChI |
InChI=1S/C23H42NO10P/c1-3-5-6-7-8-9-10-11-12-13-15-22(26)34-19(16-31-21(25)14-4-2)17-32-35(29,30)33-18-20(24)23(27)28/h6-7,19-20H,3-5,8-18,24H2,1-2H3,(H,27,28)(H,29,30)/b7-6- |
| InChIKey |
RRRCZFVSGYGBGD-SREVYHEPNA-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 |
CCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCC)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
