| SpectraBase Compound ID | EV9h5s7wX42 |
|---|---|
| InChI | InChI=1S/C30H57NO7/c1-6-8-10-12-14-16-18-20-28(32)37-25-26(24-36-23-22-27(30(34)35)31(3,4)5)38-29(33)21-19-17-15-13-11-9-7-2/h26-27H,6-25H2,1-5H3 |
| InChIKey | DCKSRHXFZINLKN-UHFFFAOYNA-N |
| Mol Weight | 543.8 g/mol |
| Molecular Formula | C30H57NO7 |
| Exact Mass | 543.413503 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 | 4W2gbbz4iNB |
|---|---|
| Name | DGTS 10:0_10:0 |
| Classification | Glycerolipids [GL] |
| Comments | Diacylglyceryltrimethylhomo-Ser |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 543.413503172 u |
| Formula | C30H57NO7 |
| InChI | InChI=1S/C30H57NO7/c1-6-8-10-12-14-16-18-20-28(32)37-25-26(24-36-23-22-27(30(34)35)31(3,4)5)38-29(33)21-19-17-15-13-11-9-7-2/h26-27H,6-25H2,1-5H3 |
| InChIKey | DCKSRHXFZINLKN-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 | CCCCCCCCCC(=O)OCC(COCCC(C([O-])=O)[N+](C)(C)C)OC(=O)CCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |