| SpectraBase Spectrum ID |
5varJ1Dritc |
| Name |
DGDG O-24:5_28:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1148.867808530 u |
| Formula |
C67H120O14 |
| InChI |
InChI=1S/C67H120O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-59(69)79-56(53-76-51-49-47-45-43-41-39-37-35-33-31-26-24-22-20-18-16-14-12-10-8-6-4-2)54-77-66-65(75)63(73)61(71)58(81-66)55-78-67-64(74)62(72)60(70)57(52-68)80-67/h6,8,12,14,18,20,24,26,33,35,56-58,60-68,70-75H,3-5,7,9-11,13,15-17,19,21-23,25,27-32,34,36-55H2,1-2H3/b8-6-,14-12-,20-18-,26-24-,35-33- |
| InChIKey |
RHFDNOPVGLREHT-SWDWOEQTNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCC\C=C/C\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 |
