| SpectraBase Compound ID | JH7aKRsNCjC |
|---|---|
| InChI | InChI=1S/C18H39O8P/c1-2-3-4-5-6-7-8-9-10-11-12-24-14-18(21)16-26-27(22,23)25-15-17(20)13-19/h17-21H,2-16H2,1H3,(H,22,23) |
| InChIKey | ITJYUJNQNVNGTF-UHFFFAOYNA-N |
| Mol Weight | 414.5 g/mol |
| Molecular Formula | C18H39O8P |
| Exact Mass | 414.238255 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3Ia4097YUSN |
|---|---|
| Name | LPG O-12:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked lysophosphatidylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.238255206 u |
| Formula | C18H39O8P |
| InChI | InChI=1S/C18H39O8P/c1-2-3-4-5-6-7-8-9-10-11-12-24-14-18(21)16-26-27(22,23)25-15-17(20)13-19/h17-21H,2-16H2,1H3,(H,22,23) |
| InChIKey | ITJYUJNQNVNGTF-UHFFFAOYNA-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 | CCCCCCCCCCCCOCC(O)COP(O)(=O)OCC(O)CO |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |