| SpectraBase Spectrum ID |
AIL3oZLimEw |
| Name |
PS 9:0_18:3 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
659.379834060 u |
| Formula |
C33H58NO10P |
| InChI |
InChI=1S/C33H58NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-32(36)44-29(26-41-31(35)24-22-20-10-8-6-4-2)27-42-45(39,40)43-28-30(34)33(37)38/h5,7,11-12,14-15,29-30H,3-4,6,8-10,13,16-28,34H2,1-2H3,(H,37,38)(H,39,40)/b7-5-,12-11-,15-14- |
| InChIKey |
JKMUUMGNUHLWME-BBDKIWCZNA-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/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
