| SpectraBase Spectrum ID |
5cI7w4f4Etr |
| Name |
LPS 13:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.212768732 u |
| Formula |
C19H36NO9P |
| InChI |
InChI=1S/C19H36NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)27-13-16(21)14-28-30(25,26)29-15-17(20)19(23)24/h4-5,16-17,21H,2-3,6-15,20H2,1H3,(H,23,24)(H,25,26)/b5-4- |
| InChIKey |
TWQKAKFUZZYERU-PLNGDYQANA-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 |
CCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
