| SpectraBase Compound ID | tQed2SBjmx |
|---|---|
| InChI | InChI=1S/C45H84O10/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-41(48)54-38(36-52-40(47)33-31-29-27-10-8-6-4-2)37-53-45-44(51)43(50)42(49)39(35-46)55-45/h16-17,38-39,42-46,49-51H,3-15,18-37H2,1-2H3/b17-16- |
| InChIKey | HMPZPTILQXBCEN-MSUUIHNZNA-N |
| Mol Weight | 785.2 g/mol |
| Molecular Formula | C45H84O10 |
| Exact Mass | 784.606449 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 | 8ZXvb7TgbKV |
|---|---|
| Name | MGDG 10:0_26:1 |
| Classification | Glycerolipids [GL] |
| Comments | Monogalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 784.606448895 u |
| Formula | C45H84O10 |
| InChI | InChI=1S/C45H84O10/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-41(48)54-38(36-52-40(47)33-31-29-27-10-8-6-4-2)37-53-45-44(51)43(50)42(49)39(35-46)55-45/h16-17,38-39,42-46,49-51H,3-15,18-37H2,1-2H3/b17-16- |
| InChIKey | HMPZPTILQXBCEN-MSUUIHNZNA-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+HCOO]- |
| SMILES | CCCCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |