| SpectraBase Spectrum ID |
F5Pc7GX6D6y |
| Name |
DGDG O-13:1_19:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
872.586107371 u |
| Formula |
C47H84O14 |
| InChI |
InChI=1S/C47H84O14/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-39(49)59-36(33-56-31-29-27-25-23-21-14-12-10-8-6-4-2)34-57-46-45(55)43(53)41(51)38(61-46)35-58-47-44(54)42(52)40(50)37(32-48)60-47/h8,10,13,15,17-18,36-38,40-48,50-55H,3-7,9,11-12,14,16,19-35H2,1-2H3/b10-8-,15-13-,18-17- |
| InChIKey |
HQZWJUFQCNRHDO-GJGATDSHNA-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 |
CCCCCC\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 |
