| SpectraBase Spectrum ID |
8ksikN86qjY |
| Name |
PS 9:0_20:5 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
683.379834060 u |
| Formula |
C35H58NO10P |
| InChI |
InChI=1S/C35H58NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-34(38)46-31(28-43-33(37)26-24-22-10-8-6-4-2)29-44-47(41,42)45-30-32(36)35(39)40/h5,7,11-12,14-15,17-18,20-21,31-32H,3-4,6,8-10,13,16,19,22-30,36H2,1-2H3,(H,39,40)(H,41,42)/b7-5-,12-11-,15-14-,18-17-,21-20- |
| InChIKey |
OBZAKKBLUNFPGT-TYBQXOFFNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
