| SpectraBase Spectrum ID |
9hcGXjMafHl |
| Name |
DGDG 19:2_20:3 |
| Classification |
Glycerolipids [GL] |
| Comments |
Digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
980.643622247 u |
| Formula |
C54H92O15 |
| InChI |
InChI=1S/C54H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-46(57)67-42(39-64-45(56)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-65-53-52(63)50(61)48(59)44(69-53)41-66-54-51(62)49(60)47(58)43(38-55)68-54/h5,7,11,13-14,16-17,19-20,22,42-44,47-55,58-63H,3-4,6,8-10,12,15,18,21,23-41H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-20- |
| InChIKey |
JENGVALQRQCOHB-JCXYDHFENA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCC\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 |
