| SpectraBase Spectrum ID |
9gFLbwbepP7 |
| Name |
DGDG 2:0_16:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
692.361921088 u |
| Formula |
C33H56O15 |
| InChI |
InChI=1S/C33H56O15/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(36)46-22(18-43-21(2)35)19-44-32-31(42)29(40)27(38)24(48-32)20-45-33-30(41)28(39)26(37)23(17-34)47-33/h5-6,8-9,22-24,26-34,37-42H,3-4,7,10-20H2,1-2H3/b6-5-,9-8- |
| InChIKey |
OYCUYLUDNTTZDL-AFJQJTPPNA-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 |
CCC\C=C/C\C=C/CCCCCCCC(=O)OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)COC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
