| SpectraBase Spectrum ID |
KZO76tUaN2R |
| Name |
DGDG 22:0_24:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1084.800122891 u |
| Formula |
C61H112O15 |
| InChI |
InChI=1S/C61H112O15/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-53(64)74-49(46-71-52(63)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)47-72-60-59(70)57(68)55(66)51(76-60)48-73-61-58(69)56(67)54(65)50(45-62)75-61/h15,17,21,23,49-51,54-62,65-70H,3-14,16,18-20,22,24-48H2,1-2H3/b17-15-,23-21- |
| InChIKey |
RNQXYKNXWYPMOV-IUFKAHDJNA-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 |
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
