| SpectraBase Compound ID | 6G84X1mL4EL |
|---|---|
| InChI | InChI=1S/C34H67O8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(35)40-30-32(31-41-43(37,38)39-3)42-34(36)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32H,4-31H2,1-3H3,(H,37,38) |
| InChIKey | WCQSMZJMLOUVFS-UHFFFAOYNA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C34H67O8P |
| Exact Mass | 634.457356 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 | LnE1PYeeEWU |
|---|---|
| Name | PMeOH 15:0_15:0 |
| Comments | Phosphatidylmethanol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 634.457356107 u |
| Formula | C34H67O8P |
| InChI | InChI=1S/C34H67O8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(35)40-30-32(31-41-43(37,38)39-3)42-34(36)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32H,4-31H2,1-3H3,(H,37,38) |
| InChIKey | WCQSMZJMLOUVFS-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 | CCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC)OC(=O)CCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |