| SpectraBase Spectrum ID |
L6L0nvCof5D |
| Name |
DGGA 13:1_19:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Diacylglyceryl glucuronide |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
738.491813063 u |
| Formula |
C41H70O11 |
| InChI |
InChI=1S/C41H70O11/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-34(42)49-31-33(32-50-41-38(46)36(44)37(45)39(52-41)40(47)48)51-35(43)30-28-26-24-21-14-12-10-8-6-4-2/h8,10,13,15,17-18,33,36-39,41,44-46H,3-7,9,11-12,14,16,19-32H2,1-2H3,(H,47,48)/b10-8-,15-13-,18-17- |
| InChIKey |
PTRNMRJZYZJDJB-GJGATDSHNA-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(C(O)C(O)C1O)C(O)=O)OC(=O)CCCCCCC\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
