| SpectraBase Spectrum ID |
GYGv18iwwxB |
| Name |
PS 7:0_16:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
607.348533931 u |
| Formula |
C29H54NO10P |
| InChI |
InChI=1S/C29H54NO10P/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-28(32)40-25(22-37-27(31)20-18-8-6-4-2)23-38-41(35,36)39-24-26(30)29(33)34/h11-12,25-26H,3-10,13-24,30H2,1-2H3,(H,33,34)(H,35,36)/b12-11- |
| InChIKey |
GBEPNYXEFQRRKM-QXMHVHEDNA-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 |
CCCCCC\C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
