| SpectraBase Spectrum ID |
4jBAROIZa6a |
| Name |
DGDG O-19:1_20:1 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
972.711307886 u |
| Formula |
C54H100O14 |
| InChI |
InChI=1S/C54H100O14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-46(56)66-43(40-63-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-64-53-52(62)50(60)48(58)45(68-53)42-65-54-51(61)49(59)47(57)44(39-55)67-54/h17,19-20,22,43-45,47-55,57-62H,3-16,18,21,23-42H2,1-2H3/b19-17-,22-20- |
| InChIKey |
QUMWNKOBGOILOB-MGXYOJEMNA-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+Na]+ |
| SMILES |
CCCCCCCCC\C=C/CCCCCCCCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCC\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
