| SpectraBase Spectrum ID |
6BpdoLqOCbi |
| Name |
PS 5:0_18:4 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
601.301583738 u |
| Formula |
C29H48NO10P |
| InChI |
InChI=1S/C29H48NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28(32)40-25(22-37-27(31)20-6-4-2)23-38-41(35,36)39-24-26(30)29(33)34/h5,7,9-10,12-13,15-16,25-26H,3-4,6,8,11,14,17-24,30H2,1-2H3,(H,33,34)(H,35,36)/b7-5-,10-9-,13-12-,16-15- |
| InChIKey |
ACWUGMDAUYJBBK-KUXGPOOQNA-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 |
CCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCC\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 |
