| SpectraBase Spectrum ID |
2iPw2VIp0Tb |
| Name |
DGDG O-17:2_7:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
762.476556920 u |
| Formula |
C39H70O14 |
| InChI |
InChI=1S/C39H70O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-48-25-28(51-31(41)22-20-8-6-4-2)26-49-38-37(47)35(45)33(43)30(53-38)27-50-39-36(46)34(44)32(42)29(24-40)52-39/h9-10,12-13,28-30,32-40,42-47H,3-8,11,14-27H2,1-2H3/b10-9-,13-12- |
| InChIKey |
BOZKJLQIIFDIHX-UTJQPWESNA-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 |
CCCCCCC(=O)OC(COCCCCCCCC\C=C/C\C=C/CCCC)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 |
