| SpectraBase Spectrum ID |
FzErsjOPwpW |
| Name |
PS 9:0_16:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
633.364183995 u |
| Formula |
C31H56NO10P |
| InChI |
InChI=1S/C31H56NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-30(34)42-27(24-39-29(33)22-20-18-10-8-6-4-2)25-40-43(37,38)41-26-28(32)31(35)36/h7,9,12-13,27-28H,3-6,8,10-11,14-26,32H2,1-2H3,(H,35,36)(H,37,38)/b9-7-,13-12- |
| InChIKey |
CDFMQHNDCIDPRT-VCGFVGGHNA-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 |
CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
