| SpectraBase Spectrum ID |
IbhdSA1vT7S |
| Name |
PS 16:2_24:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
839.567634832 u |
| Formula |
C46H82NO10P |
| InChI |
InChI=1S/C46H82NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h8,10,14-17,19-20,42-43H,3-7,9,11-13,18,21-41,47H2,1-2H3,(H,50,51)(H,52,53)/b10-8-,16-14-,17-15-,20-19- |
| InChIKey |
NNBROXOCVMIOTH-ZOKJTHACNA-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 |
CCCCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/C\C=C/CCC)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
