| SpectraBase Spectrum ID |
59mx89dS8ud |
| Name |
DGDG O-28:4_7:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
912.617407500 u |
| Formula |
C50H88O14 |
| InChI |
InChI=1S/C50H88O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-59-36-39(62-42(52)33-31-8-6-4-2)37-60-49-48(58)46(56)44(54)41(64-49)38-61-50-47(57)45(55)43(53)40(35-51)63-50/h5,7,10-11,13-14,16-17,39-41,43-51,53-58H,3-4,6,8-9,12,15,18-38H2,1-2H3/b7-5-,11-10-,14-13-,17-16- |
| InChIKey |
OBODLVSWROKIIT-ZRENGBSJNA-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+CH3COO]- |
| SMILES |
CCCCCCC(=O)OC(COCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)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 |
