| SpectraBase Compound ID | 7zYTd5ZJZ0y |
|---|---|
| InChI | InChI=1S/C61H118O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-15-12-9-6-3)67-61(64)55-52-49-46-43-41-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h58H,4-57H2,1-3H3 |
| InChIKey | YHTODKUCXLLFHW-UHFFFAOYNA-N |
| Mol Weight | 947.6 g/mol |
| Molecular Formula | C61H118O6 |
| Exact Mass | 946.892842 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | HCNtxSEoxKv |
|---|---|
| Name | TG 10:0_24:0_24:0 |
| Classification | Glycerolipids [GL] |
| Comments | Triacylglyceride |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 946.892841514 u |
| Formula | C61H118O6 |
| InChI | InChI=1S/C61H118O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-15-12-9-6-3)67-61(64)55-52-49-46-43-41-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h58H,4-57H2,1-3H3 |
| InChIKey | YHTODKUCXLLFHW-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+Na]+ |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |