| SpectraBase Compound ID | 42wTOak36sO |
|---|---|
| InChI | InChI=1S/C70H134O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-43-44-46-48-50-52-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-12-9-6-3)76-70(73)64-61-58-55-53-51-49-47-45-42-28-26-24-22-20-18-16-14-11-8-5-2/h25,27,67H,4-24,26,28-66H2,1-3H3/b27-25- |
| InChIKey | BDEFTWMOVWWPGN-RFBIWTDZNA-N |
| Mol Weight | 1071.8 g/mol |
| Molecular Formula | C70H134O6 |
| Exact Mass | 1071.018042 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 | EF9haB6dI8a |
|---|---|
| Name | TG 8:0_23:0_36:1 |
| Classification | Glycerolipids [GL] |
| Comments | Triacylglyceride |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1071.018042029 u |
| Formula | C70H134O6 |
| InChI | InChI=1S/C70H134O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-43-44-46-48-50-52-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-12-9-6-3)76-70(73)64-61-58-55-53-51-49-47-45-42-28-26-24-22-20-18-16-14-11-8-5-2/h25,27,67H,4-24,26,28-66H2,1-3H3/b27-25- |
| InChIKey | BDEFTWMOVWWPGN-RFBIWTDZNA-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 | CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |