| SpectraBase Spectrum ID |
5dkubSO7cJG |
| Name |
PS O-15:0_10:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
623.416219569 u |
| Formula |
C31H62NO9P |
| InChI |
InChI=1S/C31H62NO9P/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-38-25-28(26-39-42(36,37)40-27-29(32)31(34)35)41-30(33)23-21-19-17-10-8-6-4-2/h28-29H,3-27,32H2,1-2H3,(H,34,35)(H,36,37) |
| InChIKey |
KBAHOYVDNXKZCB-UHFFFAOYNA-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 |
CCCCCCCCCCCCCCCOCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
