| SpectraBase Spectrum ID |
9eugrcnVykb |
| Name |
DGDG 19:1_16:4 |
| Classification |
Glycerolipids [GL] |
| Comments |
Digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
924.581021990 u |
| Formula |
C50H84O15 |
| InChI |
InChI=1S/C50H84O15/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-41(52)60-35-38(63-42(53)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2)36-61-49-48(59)46(57)44(55)40(65-49)37-62-50-47(58)45(56)43(54)39(34-51)64-50/h6,8,12,14,18-20,23,27,29,38-40,43-51,54-59H,3-5,7,9-11,13,15-17,21-22,24-26,28,30-37H2,1-2H3/b8-6-,14-12-,19-18-,23-20-,29-27- |
| InChIKey |
IWIAYTNQMDEECQ-JEOQIOCENA-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+NH4]+ |
| SMILES |
CCCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
