| SpectraBase Compound ID | HpSy3euV1uc |
|---|---|
| InChI | InChI=1S/C76H146O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-49-51-54-57-60-63-66-69-75(78)81-72-73(71-80-74(77)68-65-62-59-56-53-50-24-21-18-15-12-9-6-3)82-76(79)70-67-64-61-58-55-52-48-28-26-23-20-17-14-11-8-5-2/h29-30,73H,4-28,31-72H2,1-3H3/b30-29- |
| InChIKey | PFAXDRGNHIJWKW-FLWNBWAVNA-N |
| Mol Weight | 1156.0 g/mol |
| Molecular Formula | C76H146O6 |
| Exact Mass | 1155.111942 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 | 3cFhL41n2EP |
|---|---|
| Name | TG 16:0_19:0_38:1 |
| Classification | Glycerolipids [GL] |
| Comments | Triacylglyceride |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1155.111942415 u |
| Formula | C76H146O6 |
| InChI | InChI=1S/C76H146O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-49-51-54-57-60-63-66-69-75(78)81-72-73(71-80-74(77)68-65-62-59-56-53-50-24-21-18-15-12-9-6-3)82-76(79)70-67-64-61-58-55-52-48-28-26-23-20-17-14-11-8-5-2/h29-30,73H,4-28,31-72H2,1-3H3/b30-29- |
| InChIKey | PFAXDRGNHIJWKW-FLWNBWAVNA-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+NH4]+ |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |