| SpectraBase Compound ID | FscDU2r5oUO |
|---|---|
| InChI | InChI=1S/C9H22NO6P/c1-2-3-5-14-7-9(11)8-16-17(12,13)15-6-4-10/h9,11H,2-8,10H2,1H3,(H,12,13) |
| InChIKey | KNUTVLCQHRDPGE-UHFFFAOYNA-N |
| Mol Weight | 271.25 g/mol |
| Molecular Formula | C9H22NO6P |
| Exact Mass | 271.118474 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | L9Jv7kaeWLu |
|---|---|
| Name | LPE O-4:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked lysophosphatidylethanolamine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.118474424 u |
| Formula | C9H22NO6P |
| InChI | InChI=1S/C9H22NO6P/c1-2-3-5-14-7-9(11)8-16-17(12,13)15-6-4-10/h9,11H,2-8,10H2,1H3,(H,12,13) |
| InChIKey | KNUTVLCQHRDPGE-UHFFFAOYNA-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 | CCCCOCC(O)COP(O)(=O)OCCN |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |