| SpectraBase Spectrum ID |
CChHZPK4m7g |
| Name |
DGDG O-16:2_10:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
790.507857049 u |
| Formula |
C41H74O14 |
| InChI |
InChI=1S/C41H74O14/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-50-27-30(53-33(43)24-22-20-18-10-8-6-4-2)28-51-40-39(49)37(47)35(45)32(55-40)29-52-41-38(48)36(46)34(44)31(26-42)54-41/h7,9,12-13,30-32,34-42,44-49H,3-6,8,10-11,14-29H2,1-2H3/b9-7-,13-12- |
| InChIKey |
YQQUEYDIOBYCDH-VCGFVGGHNA-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 |
CCCCCCCCCC(=O)OC(COCCCCCCCC\C=C/C\C=C/CCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
