| SpectraBase Compound ID | 73ry71GWlcx |
|---|---|
| InChI | InChI=1S/C30H54O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(33)39-24(21-37-23(2)32)22-38-30-29(36)28(35)27(34)25(20-31)40-30/h11-12,24-25,27-31,34-36H,3-10,13-22H2,1-2H3/b12-11- |
| InChIKey | VSEFSTPATCLJPJ-QXMHVHEDNA-N |
| Mol Weight | 574.8 g/mol |
| Molecular Formula | C30H54O10 |
| Exact Mass | 574.371698 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7B9dBYEf1qW |
|---|---|
| Name | MGDG 2:0_19:1 |
| Classification | Glycerolipids [GL] |
| Comments | Monogalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 574.371697929 u |
| Formula | C30H54O10 |
| InChI | InChI=1S/C30H54O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(33)39-24(21-37-23(2)32)22-38-30-29(36)28(35)27(34)25(20-31)40-30/h11-12,24-25,27-31,34-36H,3-10,13-22H2,1-2H3/b12-11- |
| InChIKey | VSEFSTPATCLJPJ-QXMHVHEDNA-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 | CCCCCCCCC\C=C/CCCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(C)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |