| SpectraBase Spectrum ID |
Ip8w7boVBuj |
| Name |
PS O-14:1_18:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
717.494469891 u |
| Formula |
C38H72NO9P |
| InChI |
InChI=1S/C38H72NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-37(40)48-35(33-46-49(43,44)47-34-36(39)38(41)42)32-45-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h10,12,17-18,35-36H,3-9,11,13-16,19-34,39H2,1-2H3,(H,41,42)(H,43,44)/b12-10-,18-17- |
| InChIKey |
CUGBHXNTYHPUIF-OANVVFKNNA-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 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(COCCCCCCCC\C=C/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 |
