| SpectraBase Compound ID | ENsvpDH8Yjr |
|---|---|
| InChI | InChI=1S/C17H30O10/c1-3-5-12(19)24-8-10(26-13(20)6-4-2)9-25-17-16(23)15(22)14(21)11(7-18)27-17/h10-11,14-18,21-23H,3-9H2,1-2H3 |
| InChIKey | PWERAXPXQPRICV-UHFFFAOYNA-N |
| Mol Weight | 394.42 g/mol |
| Molecular Formula | C17H30O10 |
| Exact Mass | 394.183897 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 493l4k87h0y |
|---|---|
| Name | MGDG 4:0_4:0 |
| Classification | Glycerolipids [GL] |
| Comments | Monogalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.183897156 u |
| Formula | C17H30O10 |
| InChI | InChI=1S/C17H30O10/c1-3-5-12(19)24-8-10(26-13(20)6-4-2)9-25-17-16(23)15(22)14(21)11(7-18)27-17/h10-11,14-18,21-23H,3-9H2,1-2H3 |
| InChIKey | PWERAXPXQPRICV-UHFFFAOYNA-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 | CCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |