| SpectraBase Spectrum ID |
LVptnoRbVhv |
| Name |
DGDG O-13:1_17:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
844.554807242 u |
| Formula |
C45H80O14 |
| InChI |
InChI=1S/C45H80O14/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-37(47)57-34(31-54-29-27-25-23-21-19-14-12-10-8-6-4-2)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/h8-11,15-16,34-36,38-46,48-53H,3-7,12-14,17-33H2,1-2H3/b10-8-,11-9-,16-15- |
| InChIKey |
ZFOSLEZAGPYNQP-OHAOOUHYNA-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\C=C/C\C=C/CCCCCCCC(=O)OC(COCCCCCCCC\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 |
