| SpectraBase Spectrum ID |
8kDWns80ZAc |
| Name |
PS 5:0_21:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
647.379834060 u |
| Formula |
C32H58NO10P |
| InChI |
InChI=1S/C32H58NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(35)43-28(25-40-30(34)23-6-4-2)26-41-44(38,39)42-27-29(33)32(36)37/h10-11,13-14,28-29H,3-9,12,15-27,33H2,1-2H3,(H,36,37)(H,38,39)/b11-10-,14-13- |
| InChIKey |
JUNAXSAERMRPSK-XVTLYKPTNA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCCC)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
