| SpectraBase Spectrum ID |
9d499VNIe27 |
| Name |
DGDG O-14:0_16:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
846.570457306 u |
| Formula |
C45H82O14 |
| InChI |
InChI=1S/C45H82O14/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-37(47)57-34(31-54-29-27-25-23-21-19-16-14-12-10-8-6-4-2)32-55-44-43(53)41(51)39(49)36(59-44)33-56-45-42(52)40(50)38(48)35(30-46)58-45/h7,9,13,15,34-36,38-46,48-53H,3-6,8,10-12,14,16-33H2,1-2H3/b9-7-,15-13- |
| InChIKey |
MFWRKPGPECCJRF-IRSNKLEKNA-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+Na]+ |
| SMILES |
CCCCCCCCCCCCCCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
